#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdp n LYS 20 N 0.00 3.66 -0.02 0.00 5.02 -1.26 -5.05 118.16 120.51 3kdp n LYS 20 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3kdp n LYS 20 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3kdp n LYS 20 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kdp n LYS 21 N 0.00 -1.99 0.11 1.97 4.76 -1.26 -4.64 118.16 117.11 3kdp n LYS 21 Ca 0.00 -0.13 -0.24 0.00 -2.87 0.00 0.00 58.31 55.08 3kdp n LYS 21 Cb 0.00 -0.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.87 3kdp n LYS 21 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kdp h GLU 22 N 0.00 0.46 -0.07 1.97 4.39 -1.98 -2.43 114.58 116.92 3kdp h GLU 22 Ca -0.03 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.88 3kdp h GLU 22 Cb 0.12 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3kdp h GLU 22 CO 0.02 1.38 0.00 0.54 -1.16 0.00 0.00 179.01 179.79 3kdp n ARG 23 N -3.69 0.22 0.07 2.33 5.12 -1.26 -1.25 116.66 118.20 3kdp n ARG 23 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 3kdp n ARG 23 Cb 1.08 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 31.34 3kdp n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3kdp n ASP 24 N -0.20 0.06 0.13 0.55 -0.08 -1.25 -4.23 116.55 111.52 3kdp n ASP 24 Ca 0.00 0.23 0.18 0.00 -1.51 0.00 0.00 54.79 53.69 3kdp n ASP 24 Cb 0.02 0.14 0.63 0.00 2.34 0.00 0.00 41.12 44.24 3kdp n ASP 24 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 3kdp h MET 25 N 0.00 0.00 0.00 -0.67 4.05 -1.42 0.12 114.93 117.01 3kdp h MET 25 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kdp h MET 25 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3kdp h MET 25 CO 0.00 0.00 -0.40 -3.47 0.23 0.00 0.00 176.91 173.27 3kdp n ASP 26 N -3.27 1.29 -0.01 1.39 2.03 -0.38 -4.28 116.55 113.32 3kdp n ASP 26 Ca 0.07 -0.41 -0.09 0.00 0.52 0.00 0.00 54.79 54.88 3kdp n ASP 26 Cb 0.76 1.04 -0.14 0.00 -0.72 0.00 0.00 41.12 42.06 3kdp n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3kdp h GLU 27 N 0.00 0.02 -0.14 -0.67 3.07 -0.95 -3.31 114.58 112.60 3kdp h GLU 27 Ca 0.00 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 3kdp h GLU 27 Cb 0.08 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3kdp h GLU 27 CO 0.00 0.60 -0.56 1.25 -1.40 0.00 0.00 179.01 178.90 3kdp h LEU 28 N 0.01 0.47 -0.01 1.33 5.85 -1.12 -1.84 115.31 119.99 3kdp h LEU 28 Ca -0.27 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3kdp h LEU 28 Cb 1.99 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3kdp h LEU 28 CO 0.09 0.93 0.00 0.29 -0.34 0.00 0.00 178.44 179.40 3kdp n LYS 29 N -3.93 0.18 -0.00 1.25 4.76 -1.25 -2.80 118.16 116.37 3kdp n LYS 29 Ca -0.03 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3kdp n LYS 29 Cb 0.60 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.76 3kdp n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kdp n LYS 30 N -0.49 0.24 -2.82 1.97 5.02 -0.69 -4.88 118.16 116.51 3kdp n LYS 30 Ca 0.00 -0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 3kdp n LYS 30 Cb 0.00 -1.07 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3kdp n LYS 30 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kdp s GLU 31 N -2.21 4.21 0.67 1.97 2.02 -1.12 -4.85 118.70 119.39 3kdp s GLU 31 Ca -0.01 1.09 -0.11 0.00 0.02 0.00 0.00 54.97 55.96 3kdp s GLU 31 Cb 0.02 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 3kdp s GLU 31 CO 0.13 -0.03 1.06 0.08 0.02 0.00 0.00 175.26 176.52 3kdp s VAL 32 N -2.18 4.13 0.00 2.63 1.01 -1.26 -5.04 120.40 119.69 3kdp s VAL 32 Ca 0.61 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3kdp s VAL 32 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3kdp s VAL 32 CO 0.14 -0.91 0.00 -1.54 0.00 0.00 0.00 175.10 172.79 3kdp n SER 33 N -2.97 0.00 -3.59 3.32 3.41 -1.26 -5.13 113.62 107.40 3kdp n SER 33 Ca 0.07 -0.44 -0.13 0.00 -0.26 0.00 0.00 58.87 58.11 3kdp n SER 33 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3kdp n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdp s MET 34 N -1.14 0.73 0.00 4.33 0.23 -1.26 -4.97 119.30 117.21 3kdp s MET 34 Ca 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 55.69 55.09 3kdp s MET 34 Cb 0.00 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 3kdp s MET 34 CO 0.00 -0.17 0.00 -0.25 -2.03 0.00 0.00 175.02 172.57 3kdp n ASP 35 N 1.48 0.00 -0.86 -1.18 8.00 -1.26 -5.09 116.55 117.64 3kdp n ASP 35 Ca -0.14 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.31 3kdp n ASP 35 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.62 3kdp n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3kdp n ASP 36 N 0.00 -0.73 0.00 -2.24 5.75 -1.26 -4.80 116.55 113.27 3kdp n ASP 36 Ca 0.00 -1.47 0.15 0.00 -0.01 0.00 0.00 54.79 53.46 3kdp n ASP 36 Cb 0.00 0.22 0.80 0.00 -1.03 0.00 0.00 41.12 41.11 3kdp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kdp n HIS 37 N 0.00 0.00 0.97 2.11 1.44 -1.26 -3.51 115.22 114.97 3kdp n HIS 37 Ca -0.20 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.62 3kdp n HIS 37 Cb 0.58 -0.21 0.15 0.00 0.12 0.00 0.00 29.99 30.63 3kdp n HIS 37 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kdp n LYS 38 N -1.21 0.02 -1.18 -1.40 5.02 -1.26 -4.74 118.16 113.41 3kdp n LYS 38 Ca 0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.14 3kdp n LYS 38 Cb 0.21 -1.51 0.11 0.00 -0.02 0.00 0.00 35.03 33.82 3kdp n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kdp s LEU 39 N -3.07 3.06 0.80 -0.35 1.43 -1.23 -5.06 118.68 114.26 3kdp s LEU 39 Ca 0.10 2.02 -0.06 0.00 -1.03 0.00 0.00 54.13 55.16 3kdp s LEU 39 Cb 0.17 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.99 3kdp s LEU 39 CO 0.75 -2.33 1.11 -0.94 0.23 0.00 0.00 176.35 175.16 3kdp s SER 40 N -2.91 3.93 0.50 2.29 1.04 -1.26 -4.90 113.70 112.40 3kdp s SER 40 Ca 0.65 -0.12 0.28 0.00 0.48 0.00 0.00 55.95 57.25 3kdp s SER 40 Cb -0.21 -0.15 1.23 0.00 0.10 0.00 0.00 66.02 66.99 3kdp s SER 40 CO 0.53 -2.16 1.95 -0.07 0.98 0.00 0.00 173.24 174.47 3kdp h LEU 41 N -0.92 0.00 -0.98 2.42 4.07 -1.98 -1.72 115.31 116.19 3kdp h LEU 41 Ca -0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.57 3kdp h LEU 41 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3kdp h LEU 41 CO 0.40 0.13 -0.35 -0.67 -1.08 0.00 0.00 178.44 176.87 3kdp n ASP 42 N -3.34 1.88 0.08 -0.43 -0.08 -1.26 -3.29 116.55 110.12 3kdp n ASP 42 Ca -0.00 -1.42 -0.06 0.00 -1.51 0.00 0.00 54.79 51.80 3kdp n ASP 42 Cb 0.34 0.32 -0.03 0.00 2.34 0.00 0.00 41.12 44.09 3kdp n ASP 42 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kdp h GLU 43 N 2.40 0.02 0.00 -0.67 5.08 -1.67 -3.37 114.58 116.36 3kdp h GLU 43 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kdp h GLU 43 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kdp h GLU 43 CO 0.00 0.89 0.00 1.28 -1.00 0.00 0.00 179.01 180.18 3kdp n LEU 44 N -3.51 0.00 0.00 1.33 4.32 -1.02 -3.81 117.00 114.31 3kdp n LEU 44 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3kdp n LEU 44 Cb 0.84 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.64 3kdp n LEU 44 CO 0.46 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 178.20 3kdp n HIS 45 N 0.00 0.00 0.00 -1.77 -0.00 -1.21 0.19 115.22 112.43 3kdp n HIS 45 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3kdp n HIS 45 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3kdp n HIS 45 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3kdp n ARG 46 N 0.00 0.00 -0.53 1.57 1.74 -1.26 0.76 116.66 118.94 3kdp n ARG 46 Ca 0.00 0.76 0.41 0.00 -0.77 0.00 0.00 57.85 58.26 3kdp n ARG 46 Cb 0.00 -1.36 0.66 0.00 -1.02 0.00 0.00 32.46 30.74 3kdp n ARG 46 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kdp n LYS 47 N -2.28 -0.01 -0.01 5.56 4.81 0.51 -0.46 118.16 126.27 3kdp n LYS 47 Ca 0.00 1.00 0.02 0.00 -0.87 0.00 0.00 58.31 58.46 3kdp n LYS 47 Cb 0.00 -2.16 -0.05 0.00 0.02 0.00 0.00 35.03 32.84 3kdp n LYS 47 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kdp n TYR 48 N -4.00 0.00 0.00 5.64 4.01 -1.16 -4.98 117.16 116.66 3kdp n TYR 48 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3kdp n TYR 48 Cb 1.59 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 40.42 3kdp n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdp n GLY 49 N 2.22 3.04 3.64 2.72 0.00 0.23 -4.96 105.19 112.08 3kdp n GLY 49 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3kdp n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kdp n THR 50 N -2.00 2.04 0.00 2.61 5.66 -1.25 -4.94 114.28 116.40 3kdp n THR 50 Ca 0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 3kdp n THR 50 Cb 0.00 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 3kdp n THR 50 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3kdp n ASP 51 N 0.96 0.00 0.00 1.09 -0.08 0.48 -4.60 116.55 114.40 3kdp n ASP 51 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 3kdp n ASP 51 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 3kdp n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3kdp n LEU 52 N 0.00 0.00 0.29 -2.67 0.00 -1.26 -4.66 117.00 108.71 3kdp n LEU 52 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.19 3kdp n LEU 52 Cb 0.00 0.00 0.94 0.00 0.00 0.00 0.00 43.42 44.36 3kdp n LEU 52 CO 0.00 0.00 1.15 0.77 0.00 0.00 0.00 177.39 179.31 3kdp h SER 53 N 0.00 0.00 0.00 1.96 4.64 -2.04 -3.37 113.55 114.74 3kdp h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kdp h SER 53 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kdp h SER 53 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 3kdp n ARG 54 N -3.21 0.00 0.00 4.77 1.85 -1.26 -4.97 116.66 113.84 3kdp n ARG 54 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3kdp n ARG 54 Cb 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 3kdp n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kdp n GLY 55 N 0.00 -0.50 3.70 2.89 0.00 -1.26 -2.19 105.19 107.82 3kdp n GLY 55 Ca 0.00 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 3kdp n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdp n LEU 56 N 0.00 0.00 -4.82 0.99 4.32 -1.24 0.18 117.00 116.43 3kdp n LEU 56 Ca 0.00 -2.18 -0.31 0.00 -0.02 0.00 0.00 56.01 53.50 3kdp n LEU 56 Cb 0.00 -0.52 0.04 0.00 -1.62 0.00 0.00 43.42 41.32 3kdp n LEU 56 CO 0.00 -0.84 0.71 -0.89 -1.22 0.00 0.00 177.39 175.15 3kdp s THR 57 N -2.69 4.08 -0.18 -5.08 2.01 -1.26 -1.76 115.64 110.76 3kdp s THR 57 Ca 0.61 0.73 0.19 0.00 0.31 0.00 0.00 61.69 63.52 3kdp s THR 57 Cb -0.04 -3.45 0.16 0.00 0.01 0.00 0.00 72.50 69.18 3kdp s THR 57 CO 0.39 -0.83 1.55 1.55 -0.69 0.00 0.00 174.62 176.60 3kdp h PRO 58 N -0.45 0.00 -0.23 4.92 0.13 -1.96 -3.25 132.00 131.16 3kdp h PRO 58 Ca -0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.49 3kdp h PRO 58 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kdp h PRO 58 CO 0.57 0.32 -0.63 0.00 -0.23 0.00 0.00 178.00 178.04 3kdp h ALA 59 N 1.68 0.44 -0.13 -0.56 0.00 -2.01 -2.21 119.26 116.48 3kdp h ALA 59 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kdp h ALA 59 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kdp h ALA 59 CO 0.04 0.69 0.00 2.89 0.00 0.00 0.00 179.25 182.87 3kdp n ARG 60 N -3.97 1.33 0.00 0.00 -4.01 -1.25 -3.11 116.66 105.65 3kdp n ARG 60 Ca -0.05 -0.47 0.00 0.00 -1.04 0.00 0.00 57.85 56.28 3kdp n ARG 60 Cb 0.67 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.94 3kdp n ARG 60 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3kdp n ALA 61 N -0.10 0.00 0.28 2.89 0.00 -0.84 -2.44 120.51 120.30 3kdp n ALA 61 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3kdp n ALA 61 Cb 0.14 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.95 3kdp n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp h ALA 62 N -2.00 1.55 0.00 0.00 0.00 -1.72 3.27 119.26 120.36 3kdp h ALA 62 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kdp h ALA 62 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kdp h ALA 62 CO 0.00 -0.55 -0.46 1.49 0.00 0.00 0.00 179.25 179.73 3kdp h GLU 63 N 0.00 0.00 0.00 0.00 4.81 -1.70 -2.44 114.58 115.25 3kdp h GLU 63 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kdp h GLU 63 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3kdp h GLU 63 CO 0.00 0.05 -0.46 0.82 -0.73 0.00 0.00 179.01 178.70 3kdp h ILE 64 N 0.00 0.00 0.86 2.32 2.04 0.62 -3.33 117.51 120.02 3kdp h ILE 64 Ca -0.01 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 3kdp h ILE 64 Cb 1.06 1.75 0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3kdp h ILE 64 CO 0.01 0.00 -0.41 0.25 0.00 0.00 0.00 178.15 177.99 3kdp h LEU 65 N 0.00 -0.98 -0.40 1.44 7.12 -0.22 0.14 115.31 122.41 3kdp h LEU 65 Ca 0.00 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.09 3kdp h LEU 65 Cb 0.99 0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 41.30 3kdp h LEU 65 CO 0.00 -0.69 -0.51 0.00 -0.13 0.00 0.00 178.44 177.11 3kdp h ALA 66 N -1.44 -0.73 -0.98 1.25 0.00 -1.64 2.67 119.26 118.39 3kdp h ALA 66 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kdp h ALA 66 Cb 0.89 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 3kdp h ALA 66 CO 0.19 -0.98 0.62 -0.09 0.00 0.00 0.00 179.25 179.00 3kdp h ARG 67 N -0.34 1.04 0.00 0.00 2.43 -1.65 -3.25 114.38 112.61 3kdp h ARG 67 Ca 0.07 -0.06 -0.31 0.00 -0.81 0.00 0.00 59.98 58.87 3kdp h ARG 67 Cb 0.53 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 3kdp h ARG 67 CO -0.56 0.69 -2.16 -0.25 -1.51 0.00 0.00 179.97 176.18 3kdp n ASP 68 N -4.57 1.06 -0.18 -3.80 9.92 0.03 -5.11 116.55 113.89 3kdp n ASP 68 Ca 0.16 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 3kdp n ASP 68 Cb 0.25 0.76 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 3kdp n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kdp n GLY 69 N 2.03 -2.40 0.00 0.44 0.00 0.89 -5.03 105.19 101.12 3kdp n GLY 69 Ca -0.29 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3kdp n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kdp n PRO 70 N 0.43 0.00 -3.05 1.61 -0.02 -1.26 -4.86 135.00 127.86 3kdp n PRO 70 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3kdp n PRO 70 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 3kdp n PRO 70 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kdp s ASN 71 N 0.00 6.41 0.00 2.55 2.47 -0.62 -4.92 114.94 120.83 3kdp s ASN 71 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.26 3kdp s ASN 71 Cb 0.00 -2.35 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 3kdp s ASN 71 CO 0.00 -0.75 0.00 0.00 -3.72 0.00 0.00 177.10 172.63 3kdp n ALA 72 N 6.34 0.00 -2.89 1.71 0.00 -1.26 -4.06 120.51 120.36 3kdp n ALA 72 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3kdp n ALA 72 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3kdp n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kdp s LEU 73 N 0.00 4.14 -0.13 0.00 1.02 -1.26 -4.04 118.68 118.41 3kdp s LEU 73 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.24 3kdp s LEU 73 Cb 0.00 -2.73 0.01 0.00 0.02 0.00 0.00 46.19 43.49 3kdp s LEU 73 CO 0.00 0.07 -0.19 0.42 0.02 0.00 0.00 176.35 176.68 3kdp s THR 74 N -1.71 1.78 0.47 5.49 -4.23 -1.26 -5.00 115.64 111.18 3kdp s THR 74 Ca 0.33 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.83 3kdp s THR 74 Cb -0.11 -1.59 -0.09 0.00 1.34 0.00 0.00 72.50 72.04 3kdp s THR 74 CO 0.26 0.50 1.00 -2.84 -0.54 0.00 0.00 174.62 173.00 3kdp s PRO 75 N 0.92 3.97 0.62 3.99 0.02 -1.26 -5.01 135.00 138.24 3kdp s PRO 75 Ca -0.06 1.23 -0.18 0.00 0.02 0.00 0.00 61.00 62.00 3kdp s PRO 75 Cb -0.15 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.22 3kdp s PRO 75 CO -0.02 -0.27 1.21 -2.14 -0.33 0.00 0.00 177.00 175.45 3kdp s PRO 76 N -3.30 2.81 0.89 5.54 0.02 -1.26 -4.95 135.00 134.75 3kdp s PRO 76 Ca 0.64 1.82 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 3kdp s PRO 76 Cb -0.13 -1.91 0.13 0.00 0.02 0.00 0.00 34.50 32.61 3kdp s PRO 76 CO 0.18 -1.33 1.09 -2.14 -0.33 0.00 0.00 177.00 174.48 3kdp s PRO 77 N -3.45 1.28 -0.23 5.54 0.02 -1.26 -5.02 135.00 131.87 3kdp s PRO 77 Ca 0.77 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3kdp s PRO 77 Cb -0.30 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.44 3kdp s PRO 77 CO 0.36 -2.25 -0.11 0.95 -0.33 0.00 0.00 177.00 175.62 3kdp s THR 78 N -2.89 2.50 -0.20 0.99 -4.23 -1.26 -5.08 115.64 105.46 3kdp s THR 78 Ca 0.63 -1.15 -0.29 0.00 -1.18 0.00 0.00 61.69 59.71 3kdp s THR 78 Cb -0.18 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 3kdp s THR 78 CO 0.57 0.23 1.58 0.42 -0.54 0.00 0.00 174.62 176.88 3kdp s THR 79 N 1.26 3.75 0.00 3.99 -4.23 -1.26 -4.98 115.64 114.17 3kdp s THR 79 Ca -0.01 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3kdp s THR 79 Cb -0.16 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3kdp s THR 79 CO -0.07 -0.27 0.00 -2.65 -0.54 0.00 0.00 174.62 171.09 3kdp n PRO 80 N 7.52 0.73 -0.40 3.99 -0.02 -1.26 -4.66 135.00 140.90 3kdp n PRO 80 Ca 0.18 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 3kdp n PRO 80 Cb 0.45 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.20 3kdp n PRO 80 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdp n GLU 81 N -0.20 2.77 0.00 -0.52 -0.58 -1.26 -3.13 120.64 117.73 3kdp n GLU 81 Ca 0.00 -2.16 0.00 0.00 -0.42 0.00 0.00 57.16 54.58 3kdp n GLU 81 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3kdp n GLU 81 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 3kdp n TRP 82 N 1.00 0.00 0.00 -0.32 7.02 -1.26 -4.45 117.44 119.42 3kdp n TRP 82 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 3kdp n TRP 82 Cb 0.61 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 3kdp n TRP 82 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3kdp n VAL 83 N 0.00 0.00 0.05 -0.99 0.31 -1.26 0.90 118.33 117.34 3kdp n VAL 83 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 3kdp n VAL 83 Cb 0.00 0.00 0.51 0.00 -0.91 0.00 0.00 33.84 33.44 3kdp n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kdp h LYS 84 N 0.00 0.00 0.00 5.55 1.57 -1.81 -2.30 116.57 119.58 3kdp h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kdp h LYS 84 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kdp h LYS 84 CO 0.00 0.00 -0.53 0.34 -0.57 0.00 0.00 179.45 178.69 3kdp n PHE 85 N -3.19 0.83 -0.28 -1.35 7.35 0.26 -4.61 117.46 116.47 3kdp n PHE 85 Ca 0.11 0.36 -0.05 0.00 -0.76 0.00 0.00 57.45 57.11 3kdp n PHE 85 Cb 1.01 -0.73 0.08 0.00 0.35 0.00 0.00 39.48 40.19 3kdp n PHE 85 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kdp n ARG 87 N -4.28 0.03 0.13 0.00 5.12 -0.91 0.22 116.66 116.97 3kdp n ARG 87 Ca 0.07 0.37 -0.24 0.00 -1.93 0.00 0.00 57.85 56.12 3kdp n ARG 87 Cb 0.18 -1.93 -0.16 0.00 -1.16 0.00 0.00 32.46 29.39 3kdp n ARG 87 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kdp h GLN 88 N 0.00 0.51 -1.78 5.56 1.08 -1.02 -3.38 115.11 116.09 3kdp h GLN 88 Ca 0.00 -0.88 0.00 0.00 -1.45 0.00 0.00 58.65 56.32 3kdp h GLN 88 Cb 0.66 0.33 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3kdp h GLN 88 CO 0.00 1.42 0.00 1.28 -0.95 0.00 0.00 178.83 180.58 3kdp n LEU 89 N -3.72 1.17 -0.57 1.46 4.77 0.60 -0.45 117.00 120.26 3kdp n LEU 89 Ca -0.18 -0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3kdp n LEU 89 Cb 1.09 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3kdp n LEU 89 CO 0.59 0.21 0.24 0.49 -1.33 0.00 0.00 177.39 177.59 3kdp n PHE 90 N 1.14 0.00 -2.02 -1.77 3.72 -1.26 -4.87 117.46 112.41 3kdp n PHE 90 Ca 0.00 -0.04 -0.27 0.00 -0.05 0.00 0.00 57.45 57.09 3kdp n PHE 90 Cb 0.16 0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 3kdp n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kdp s GLY 91 N -0.71 0.05 0.00 1.37 0.00 0.40 -4.56 107.32 103.88 3kdp s GLY 91 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.80 3kdp s GLY 91 CO -0.01 3.61 0.00 0.61 0.00 0.00 0.00 173.10 177.31 3kdp n GLY 92 N 6.08 0.56 0.08 0.20 0.00 -1.26 -2.37 105.19 108.48 3kdp n GLY 92 Ca 0.44 0.57 0.06 0.00 0.00 0.00 0.00 46.02 47.08 3kdp n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdp n PHE 93 N 0.00 0.36 0.94 1.61 3.72 -1.26 -2.72 117.46 120.10 3kdp n PHE 93 Ca 0.00 0.18 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 3kdp n PHE 93 Cb 0.00 -0.79 0.53 0.00 -0.94 0.00 0.00 39.48 38.28 3kdp n PHE 93 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kdp n SER 94 N -1.87 0.19 0.12 4.37 7.64 -1.00 -0.75 113.62 122.32 3kdp n SER 94 Ca -0.00 0.41 -0.06 0.00 1.01 0.00 0.00 58.87 60.22 3kdp n SER 94 Cb 0.03 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3kdp n SER 94 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3kdp h MET 95 N 0.00 -0.38 -0.29 1.43 2.86 -1.75 -2.67 114.93 114.13 3kdp h MET 95 Ca 0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3kdp h MET 95 Cb 0.54 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.20 3kdp h MET 95 CO 0.00 -0.23 -0.40 -0.07 1.06 0.00 0.00 176.91 177.27 3kdp h LEU 96 N -1.10 -1.30 -2.69 1.22 3.38 -1.72 0.66 115.31 113.76 3kdp h LEU 96 Ca -0.04 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kdp h LEU 96 Cb 0.32 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3kdp h LEU 96 CO 0.07 -0.38 0.10 -0.07 0.09 0.00 0.00 178.44 178.24 3kdp h LEU 97 N -0.38 0.00 0.20 1.67 3.38 -1.10 -1.82 115.31 117.26 3kdp h LEU 97 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 3kdp h LEU 97 Cb 0.59 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.36 3kdp h LEU 97 CO -0.49 0.00 -1.64 -0.50 0.09 0.00 0.00 178.44 175.90 3kdp h TRP 98 N 0.00 0.77 0.00 1.13 4.06 0.57 -3.31 115.95 119.17 3kdp h TRP 98 Ca 0.00 -0.56 -0.05 0.00 2.06 0.00 0.00 58.89 60.34 3kdp h TRP 98 Cb 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 3kdp h TRP 98 CO 0.00 1.64 -0.22 0.82 -3.56 0.00 0.00 178.44 177.11 3kdp h ILE 99 N 0.08 0.41 -0.53 1.49 2.04 -0.41 -2.20 117.51 118.38 3kdp h ILE 99 Ca -0.32 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.01 3kdp h ILE 99 Cb 2.09 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 40.24 3kdp h ILE 99 CO 0.19 0.22 0.04 1.23 0.00 0.00 0.00 178.15 179.84 3kdp h GLY 100 N 3.41 0.94 0.90 5.37 0.00 -1.48 -0.20 103.07 112.02 3kdp h GLY 100 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3kdp h GLY 100 CO 0.03 0.58 -0.32 0.00 0.00 0.00 0.00 176.54 176.82 3kdp n ALA 101 N -2.47 3.17 -0.09 3.60 0.00 -1.10 -2.11 120.51 121.51 3kdp n ALA 101 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 3kdp n ALA 101 Cb 0.29 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 3kdp n ALA 101 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kdp h ILE 102 N 0.40 0.94 -0.90 0.00 2.10 -1.13 -3.08 117.51 115.85 3kdp h ILE 102 Ca 0.00 -1.96 0.26 0.00 1.08 0.00 0.00 64.86 64.24 3kdp h ILE 102 Cb 0.48 2.03 -0.04 0.00 -1.09 0.00 0.00 36.82 38.21 3kdp h ILE 102 CO 0.00 0.32 0.70 -0.07 -1.08 0.00 0.00 178.15 178.02 3kdp h LEU 103 N -1.00 0.00 -0.10 2.19 4.07 -1.12 0.37 115.31 119.72 3kdp h LEU 103 Ca -0.18 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 3kdp h LEU 103 Cb 1.01 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 3kdp h LEU 103 CO -0.11 0.00 -0.07 0.00 -1.08 0.00 0.00 178.44 177.18 3kdp h PHE 105 N -0.17 0.00 0.00 0.00 0.04 -0.65 -2.55 116.94 113.61 3kdp h PHE 105 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3kdp h PHE 105 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 3kdp h PHE 105 CO 0.08 0.17 0.00 -0.11 -0.60 0.00 0.00 178.31 177.85 3kdp n LEU 106 N -3.55 0.00 0.00 1.54 7.94 0.10 -3.76 117.00 119.27 3kdp n LEU 106 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3kdp n LEU 106 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 3kdp n LEU 106 CO 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.59 3kdp n ALA 107 N -3.00 0.00 -0.27 1.96 0.00 -0.81 0.97 120.51 119.36 3kdp n ALA 107 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kdp n ALA 107 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3kdp n ALA 107 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kdp n TYR 108 N 0.00 -0.01 -0.18 0.00 9.36 -0.96 0.13 117.16 125.50 3kdp n TYR 108 Ca 0.00 0.87 -0.13 0.00 3.32 0.00 0.00 57.90 61.96 3kdp n TYR 108 Cb 0.00 -0.74 -0.10 0.00 -0.63 0.00 0.00 39.34 37.87 3kdp n TYR 108 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3kdp h GLY 109 N 0.00 -1.01 -1.00 2.98 0.00 0.52 0.42 103.07 104.99 3kdp h GLY 109 Ca 0.23 0.74 0.42 0.00 0.00 0.00 0.00 47.33 48.72 3kdp h GLY 109 CO -0.69 -0.10 0.54 1.39 0.00 0.00 0.00 176.54 177.67 3kdp n ILE 110 N -5.30 -0.42 1.17 2.60 2.08 0.36 0.15 119.36 120.00 3kdp n ILE 110 Ca -0.03 2.02 0.14 0.00 0.56 0.00 0.00 62.75 65.44 3kdp n ILE 110 Cb 0.32 -3.29 0.53 0.00 -0.75 0.00 0.00 39.64 36.45 3kdp n ILE 110 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kdp n GLN 111 N -5.25 0.28 -1.37 0.38 6.02 0.13 -2.82 117.38 114.75 3kdp n GLN 111 Ca 0.38 -0.09 -0.35 0.00 -0.01 0.00 0.00 57.00 56.93 3kdp n GLN 111 Cb 1.28 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 31.12 3kdp n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kdp n ALA 112 N -1.28 6.31 0.00 -1.58 0.00 0.40 -3.45 120.51 120.91 3kdp n ALA 112 Ca 0.10 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 50.03 3kdp n ALA 112 Cb 0.31 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3kdp n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp n ALA 113 N -0.90 0.30 -2.59 0.00 0.00 -1.13 -4.99 120.51 111.20 3kdp n ALA 113 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3kdp n ALA 113 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3kdp n ALA 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kdp n THR 114 N -0.42 0.00 -1.46 0.00 -1.04 -1.13 -4.94 114.28 105.29 3kdp n THR 114 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 3kdp n THR 114 Cb 0.00 -0.93 -0.16 0.00 -1.82 0.00 0.00 70.33 67.41 3kdp n THR 114 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3kdp n GLU 115 N -0.49 0.00 0.00 -2.82 0.00 -1.26 -4.29 120.64 111.78 3kdp n GLU 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3kdp n GLU 115 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.10 3kdp n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kdp n GLU 116 N 7.58 0.00 -3.11 3.44 -0.58 -1.26 -4.89 120.64 121.83 3kdp n GLU 116 Ca 0.65 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 57.13 3kdp n GLU 116 Cb 0.05 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.87 3kdp n GLU 116 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kdp n GLU 117 N 0.00 2.57 -0.06 3.49 1.02 -1.22 -4.92 120.64 121.52 3kdp n GLU 117 Ca 0.00 -4.49 -0.00 0.00 -0.02 0.00 0.00 57.16 52.65 3kdp n GLU 117 Cb 0.00 -2.10 -0.00 0.00 -0.02 0.00 0.00 31.44 29.32 3kdp n GLU 117 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kdp n PRO 118 N 0.19 0.12 -2.49 3.49 -0.02 -1.26 -4.76 135.00 130.27 3kdp n PRO 118 Ca 0.29 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 3kdp n PRO 118 Cb 0.45 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 3kdp n PRO 118 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kdp s GLN 119 N 1.79 4.51 0.40 -0.52 -0.21 -1.26 -4.91 119.66 119.45 3kdp s GLN 119 Ca 0.00 1.71 0.15 0.00 0.02 0.00 0.00 55.36 57.25 3kdp s GLN 119 Cb 0.00 -3.33 1.02 0.00 1.00 0.00 0.00 33.01 31.70 3kdp s GLN 119 CO 0.00 -0.11 1.84 -0.91 -2.12 0.00 0.00 175.29 173.99 3kdp h ASN 120 N 6.14 0.48 0.00 5.90 2.35 -2.03 -3.43 115.58 124.99 3kdp h ASN 120 Ca -0.43 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3kdp h ASN 120 Cb 1.21 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3kdp h ASN 120 CO 0.77 0.19 0.00 0.47 -1.65 0.00 0.00 177.43 177.21 3kdp n ASP 121 N -4.55 0.00 -0.33 5.81 9.92 -1.26 -2.64 116.55 123.49 3kdp n ASP 121 Ca 0.20 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.62 3kdp n ASP 121 Cb 0.68 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 41.46 3kdp n ASP 121 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kdp n ASN 122 N 0.00 -0.09 -0.35 -2.24 3.02 -1.26 -0.53 115.26 113.81 3kdp n ASN 122 Ca 0.00 1.64 0.24 0.00 -0.03 0.00 0.00 54.58 56.44 3kdp n ASN 122 Cb 0.00 -0.61 0.50 0.00 -0.61 0.00 0.00 39.78 39.06 3kdp n ASN 122 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3kdp h LEU 123 N 0.00 0.47 -0.15 3.41 6.46 -1.80 0.83 115.31 124.53 3kdp h LEU 123 Ca 0.60 0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 58.44 3kdp h LEU 123 Cb 1.27 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 3kdp h LEU 123 CO -0.90 -0.00 -0.08 1.88 -0.62 0.00 0.00 178.44 178.71 3kdp h TYR 124 N 0.36 0.38 -0.43 1.25 -1.99 -0.57 -2.82 116.97 113.15 3kdp h TYR 124 Ca 0.67 -0.10 0.13 0.00 2.00 0.00 0.00 58.73 61.43 3kdp h TYR 124 Cb 1.67 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 40.30 3kdp h TYR 124 CO -0.01 0.66 0.41 1.25 -0.00 0.00 0.00 178.16 180.47 3kdp h LEU 125 N -0.01 0.00 0.18 3.88 5.85 0.63 0.76 115.31 126.60 3kdp h LEU 125 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kdp h LEU 125 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kdp h LEU 125 CO 0.02 0.00 -0.09 1.23 -0.34 0.00 0.00 178.44 179.27 3kdp h GLY 126 N 0.00 -0.25 0.90 3.75 0.00 -0.88 -1.53 103.07 105.06 3kdp h GLY 126 Ca 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 3kdp h GLY 126 CO -0.00 -0.09 0.07 -2.08 0.00 0.00 0.00 176.54 174.44 3kdp h VAL 127 N -0.75 1.22 0.00 4.60 2.07 -1.12 -1.28 116.25 120.99 3kdp h VAL 127 Ca -0.02 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3kdp h VAL 127 Cb 0.51 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3kdp h VAL 127 CO 0.04 0.25 0.00 0.52 0.02 0.00 0.00 177.57 178.40 3kdp n VAL 128 N -4.64 0.00 -0.36 2.57 0.31 0.26 -1.35 118.33 115.11 3kdp n VAL 128 Ca -0.02 1.16 -0.08 0.00 -0.01 0.00 0.00 64.34 65.39 3kdp n VAL 128 Cb 0.20 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.09 3kdp n VAL 128 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kdp n LEU 129 N -1.21 -0.86 -0.25 7.52 4.77 -0.58 -0.48 117.00 125.91 3kdp n LEU 129 Ca 0.00 1.56 -0.02 0.00 -0.03 0.00 0.00 56.01 57.52 3kdp n LEU 129 Cb 0.00 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3kdp n LEU 129 CO 0.00 -1.29 0.66 0.77 -1.33 0.00 0.00 177.39 176.20 3kdp h SER 130 N 0.00 -0.99 -0.42 -1.43 4.64 -1.13 0.19 113.55 114.40 3kdp h SER 130 Ca 0.17 0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.78 3kdp h SER 130 Cb 0.39 0.55 -0.08 0.00 -0.31 0.00 0.00 62.40 62.95 3kdp h SER 130 CO -0.83 -0.28 -0.53 0.00 -0.87 0.00 0.00 176.83 174.32 3kdp h ALA 131 N 1.38 -0.74 -1.08 5.18 0.00 0.51 -0.64 119.26 123.87 3kdp h ALA 131 Ca 0.30 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.51 3kdp h ALA 131 Cb 0.56 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 3kdp h ALA 131 CO -0.76 -1.00 0.72 0.28 0.00 0.00 0.00 179.25 178.49 3kdp h VAL 132 N -0.35 0.48 -0.19 0.00 2.07 -0.63 0.43 116.25 118.05 3kdp h VAL 132 Ca 0.07 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3kdp h VAL 132 Cb 0.54 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3kdp h VAL 132 CO -0.58 0.05 -0.39 1.62 0.02 0.00 0.00 177.57 178.29 3kdp h VAL 133 N 0.27 1.30 0.00 2.57 3.04 -0.39 0.09 116.25 123.13 3kdp h VAL 133 Ca 0.59 -1.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3kdp h VAL 133 Cb 1.73 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 3kdp h VAL 133 CO -0.23 0.47 0.00 -0.38 -1.01 0.00 0.00 177.57 176.42 3kdp n ILE 134 N -4.04 0.00 -0.12 3.17 5.41 0.14 -2.90 119.36 121.03 3kdp n ILE 134 Ca -0.01 0.58 0.06 0.00 1.00 0.00 0.00 62.75 64.37 3kdp n ILE 134 Cb 0.49 -1.20 0.11 0.00 -0.71 0.00 0.00 39.64 38.33 3kdp n ILE 134 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3kdp n ILE 135 N -1.04 -0.14 0.03 1.39 5.41 -0.58 0.18 119.36 124.61 3kdp n ILE 135 Ca 0.00 0.74 0.01 0.00 1.00 0.00 0.00 62.75 64.50 3kdp n ILE 135 Cb 0.00 -1.09 0.35 0.00 -0.71 0.00 0.00 39.64 38.19 3kdp n ILE 135 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3kdp h THR 136 N 0.00 1.17 0.24 1.39 2.02 -1.04 -3.17 112.91 113.51 3kdp h THR 136 Ca 0.21 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3kdp h THR 136 Cb 0.45 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3kdp h THR 136 CO -0.31 0.22 -0.11 1.23 0.37 0.00 0.00 175.52 176.91 3kdp h GLY 137 N 0.73 -0.33 0.00 2.16 0.00 0.20 -2.96 103.07 102.87 3kdp h GLY 137 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kdp h GLY 137 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.42 3kdp n PHE 139 N -1.08 0.00 -1.62 0.00 3.72 -1.20 0.32 117.46 117.60 3kdp n PHE 139 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 3kdp n PHE 139 Cb 0.00 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.06 3kdp n PHE 139 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kdp n SER 140 N -3.94 7.14 0.00 4.37 3.41 0.52 -4.10 113.62 121.02 3kdp n SER 140 Ca 0.00 -3.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 3kdp n SER 140 Cb 0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 3kdp n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdp n TYR 141 N -0.08 -1.11 0.11 7.33 9.36 0.96 -4.44 117.16 129.30 3kdp n TYR 141 Ca 0.52 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.74 3kdp n TYR 141 Cb 0.42 0.44 0.00 0.00 -0.63 0.00 0.00 39.34 39.57 3kdp n TYR 141 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3kdp n TYR 142 N -2.38 0.00 0.04 2.98 9.36 -0.37 -3.00 117.16 123.79 3kdp n TYR 142 Ca 0.00 -0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3kdp n TYR 142 Cb 0.00 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.56 3kdp n TYR 142 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3kdp n GLN 143 N 1.08 0.00 -0.96 2.98 7.27 -1.26 -4.84 117.38 121.65 3kdp n GLN 143 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 3kdp n GLN 143 Cb 0.07 -0.07 -0.10 0.00 2.41 0.00 0.00 30.24 32.56 3kdp n GLN 143 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3kdp n GLU 144 N -2.82 2.25 -3.11 3.69 -0.58 -1.16 -4.03 120.64 114.89 3kdp n GLU 144 Ca 0.00 -1.26 -0.21 0.00 -0.42 0.00 0.00 57.16 55.28 3kdp n GLU 144 Cb 0.00 -2.20 0.01 0.00 -0.57 0.00 0.00 31.44 28.68 3kdp n GLU 144 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdp s ALA 145 N 1.73 4.03 0.00 0.62 0.00 -1.22 -4.94 121.76 121.99 3kdp s ALA 145 Ca 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3kdp s ALA 145 Cb 0.23 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.44 3kdp s ALA 145 CO -0.02 -0.30 0.00 0.36 0.00 0.00 0.00 175.76 175.80 3kdp n LYS 146 N -1.94 0.00 -1.57 0.00 2.85 -1.26 -4.87 118.16 111.36 3kdp n LYS 146 Ca 0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.94 3kdp n LYS 146 Cb 0.58 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.93 3kdp n LYS 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3kdp s SER 147 N 0.00 4.41 -0.89 -5.58 0.15 -1.26 -4.86 113.70 105.67 3kdp s SER 147 Ca 0.00 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.61 3kdp s SER 147 Cb 0.00 -2.51 0.26 0.00 -1.71 0.00 0.00 66.02 62.07 3kdp s SER 147 CO 0.00 -2.96 1.03 -0.24 1.20 0.00 0.00 173.24 172.27 3kdp n SER 148 N 16.09 4.89 -4.44 5.45 2.88 -1.26 -4.99 113.62 132.24 3kdp n SER 148 Ca 0.37 -3.33 -0.27 0.00 -1.33 0.00 0.00 58.87 54.31 3kdp n SER 148 Cb 0.54 -1.01 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 3kdp n SER 148 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kdp n LYS 149 N 1.49 1.18 -0.09 -1.46 5.02 -1.26 -4.68 118.16 118.36 3kdp n LYS 149 Ca 0.26 -2.18 -0.17 0.00 -2.02 0.00 0.00 58.31 54.21 3kdp n LYS 149 Cb 0.37 -3.66 -0.10 0.00 -0.02 0.00 0.00 35.03 31.62 3kdp n LYS 149 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kdp h ILE 150 N 6.07 1.01 -0.14 -0.18 2.04 -1.94 -3.38 117.51 120.98 3kdp h ILE 150 Ca 0.19 -2.03 -0.06 0.00 1.00 0.00 0.00 64.86 63.96 3kdp h ILE 150 Cb 0.92 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 3kdp h ILE 150 CO 1.28 0.34 -0.20 -0.03 0.00 0.00 0.00 178.15 179.54 3kdp h MET 151 N -1.00 0.24 -1.62 2.37 4.05 -1.90 0.16 114.93 117.23 3kdp h MET 151 Ca -0.20 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3kdp h MET 151 Cb 1.06 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3kdp h MET 151 CO -0.12 0.43 0.00 0.39 0.23 0.00 0.00 176.91 177.85 3kdp n GLU 152 N -4.21 0.77 0.00 0.39 1.02 -1.26 -1.77 120.64 115.58 3kdp n GLU 152 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3kdp n GLU 152 Cb 0.32 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3kdp n GLU 152 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kdp n SER 153 N 1.12 0.43 0.10 1.62 2.88 0.54 -4.84 113.62 115.47 3kdp n SER 153 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3kdp n SER 153 Cb 0.38 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 3kdp n SER 153 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3kdp h PHE 154 N 0.00 -0.22 0.00 0.66 0.05 -1.18 -2.75 116.94 113.49 3kdp h PHE 154 Ca 0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3kdp h PHE 154 Cb 0.32 0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.35 3kdp h PHE 154 CO 0.00 0.04 0.30 -0.22 -0.18 0.00 0.00 178.31 178.25 3kdp h LYS 155 N -0.48 0.00 -0.00 1.51 3.64 -1.64 0.47 116.57 120.07 3kdp h LYS 155 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kdp h LYS 155 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kdp h LYS 155 CO 0.04 0.00 -0.02 0.09 -2.27 0.00 0.00 179.45 177.29 3kdp n ASN 156 N -2.18 0.08 -0.00 4.20 3.02 -1.04 -3.78 115.26 115.56 3kdp n ASN 156 Ca -0.01 -0.41 0.10 0.00 -0.03 0.00 0.00 54.58 54.22 3kdp n ASN 156 Cb 0.32 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 3kdp n ASN 156 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3kdp n MET 157 N -1.16 0.49 -1.39 3.52 2.81 0.16 -4.84 117.12 116.71 3kdp n MET 157 Ca 0.17 -0.05 -0.31 0.00 -1.81 0.00 0.00 57.70 55.70 3kdp n MET 157 Cb 0.22 -1.45 0.09 0.00 -0.71 0.00 0.00 33.22 31.36 3kdp n MET 157 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3kdp s VAL 158 N -3.02 3.39 0.38 2.03 0.11 -1.25 -4.41 120.40 117.64 3kdp s VAL 158 Ca 0.04 0.45 0.08 0.00 -2.93 0.00 0.00 61.98 59.61 3kdp s VAL 158 Cb 0.14 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 3kdp s VAL 158 CO 0.82 -0.59 0.36 -2.84 -3.33 0.00 0.00 175.10 169.52 3kdp s PRO 159 N -4.99 2.64 0.04 1.54 0.02 -1.26 -5.05 135.00 127.94 3kdp s PRO 159 Ca 0.60 -1.41 -0.32 0.00 0.02 0.00 0.00 61.00 59.89 3kdp s PRO 159 Cb -0.16 -2.45 -0.18 0.00 0.02 0.00 0.00 34.50 31.74 3kdp s PRO 159 CO 0.56 -0.08 1.38 0.37 -0.33 0.00 0.00 177.00 178.89 3kdp h GLN 160 N 1.09 -1.11 -5.92 5.54 5.75 -1.97 -3.39 115.11 115.09 3kdp h GLN 160 Ca -0.43 0.08 -0.57 0.00 -0.15 0.00 0.00 58.65 57.58 3kdp h GLN 160 Cb 1.26 0.25 -0.09 0.00 1.07 0.00 0.00 27.48 29.98 3kdp h GLN 160 CO 0.57 -0.74 -0.52 -0.65 -2.65 0.00 0.00 178.83 174.83 3kdp s GLN 161 N -5.37 2.21 0.04 1.69 -1.52 -1.26 -1.25 119.66 114.20 3kdp s GLN 161 Ca -0.17 -1.82 -0.01 0.00 -1.95 0.00 0.00 55.36 51.42 3kdp s GLN 161 Cb 0.02 -1.98 -0.03 0.00 -0.22 0.00 0.00 33.01 30.80 3kdp s GLN 161 CO 0.51 -0.06 -0.03 0.00 -0.25 0.00 0.00 175.29 175.46 3kdp s ALA 162 N -2.58 0.33 -0.41 6.09 0.00 0.81 -4.61 121.76 121.40 3kdp s ALA 162 Ca 0.40 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3kdp s ALA 162 Cb 0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.41 3kdp s ALA 162 CO 0.22 -0.28 0.29 -1.17 0.00 0.00 0.00 175.76 174.82 3kdp s LEU 163 N -2.29 5.11 0.19 0.00 0.20 -1.26 -0.65 118.68 119.98 3kdp s LEU 163 Ca -0.03 -1.05 0.07 0.00 0.69 0.00 0.00 54.13 53.81 3kdp s LEU 163 Cb 0.00 -2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 3kdp s LEU 163 CO -0.06 -0.48 -0.13 0.68 -0.29 0.00 0.00 176.35 176.07 3kdp s VAL 164 N 1.62 1.54 0.06 1.68 -7.23 -0.73 -1.10 120.40 116.23 3kdp s VAL 164 Ca 0.04 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 3kdp s VAL 164 Cb -0.20 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3kdp s VAL 164 CO 0.08 -0.64 -0.16 0.27 -0.31 0.00 0.00 175.10 174.34 3kdp s ILE 165 N -3.10 2.97 -0.13 -0.62 -0.00 -0.43 -0.04 121.20 119.85 3kdp s ILE 165 Ca 0.21 -1.21 -0.10 0.00 -0.00 0.00 0.00 60.65 59.55 3kdp s ILE 165 Cb 0.00 -2.29 0.04 0.00 -0.00 0.00 0.00 42.46 40.22 3kdp s ILE 165 CO 0.05 0.27 0.34 -0.13 -0.00 0.00 0.00 174.94 175.47 3kdp s ARG 166 N -1.66 0.35 0.00 0.37 0.52 0.07 -3.69 118.95 114.91 3kdp s ARG 166 Ca 0.16 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 3kdp s ARG 166 Cb -0.11 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.43 3kdp s ARG 166 CO 0.07 -0.10 0.00 0.09 0.02 0.00 0.00 175.30 175.38 3kdp n ASN 167 N 3.58 0.00 0.00 0.23 4.13 -0.72 -1.18 115.26 121.30 3kdp n ASN 167 Ca -0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.07 3kdp n ASN 167 Cb 0.56 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 3kdp n ASN 167 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kdp n GLY 168 N -1.03 3.72 3.57 7.41 0.00 -1.08 -4.99 105.19 112.79 3kdp n GLY 168 Ca 0.00 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.78 3kdp n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdp n GLU 169 N 0.00 1.21 -3.75 1.61 4.71 -0.32 -4.98 120.64 119.11 3kdp n GLU 169 Ca 0.00 0.42 -0.36 0.00 -0.01 0.00 0.00 57.16 57.22 3kdp n GLU 169 Cb 0.00 -1.76 -0.07 0.00 -1.01 0.00 0.00 31.44 28.60 3kdp n GLU 169 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 3kdp s LYS 170 N -1.49 4.01 -0.09 3.49 -2.85 -1.26 -0.75 119.74 120.79 3kdp s LYS 170 Ca 0.59 -0.17 -0.04 0.00 -1.00 0.00 0.00 55.97 55.34 3kdp s LYS 170 Cb -0.73 -3.36 0.04 0.00 -2.06 0.00 0.00 37.83 31.73 3kdp s LYS 170 CO 0.60 0.42 0.21 0.00 0.10 0.00 0.00 175.35 176.68 3kdp s MET 171 N 0.01 0.16 0.53 1.78 0.23 0.95 -4.99 119.30 117.98 3kdp s MET 171 Ca 0.10 0.49 -0.16 0.00 -1.03 0.00 0.00 55.69 55.09 3kdp s MET 171 Cb -0.11 -0.14 -0.07 0.00 -1.53 0.00 0.00 34.83 32.97 3kdp s MET 171 CO -0.00 -0.17 1.00 -1.54 -2.03 0.00 0.00 175.02 172.28 3kdp s SER 172 N 1.29 6.50 0.21 -1.18 1.04 -1.26 -1.78 113.70 118.52 3kdp s SER 172 Ca -0.09 1.57 -0.23 0.00 0.48 0.00 0.00 55.95 57.69 3kdp s SER 172 Cb -0.11 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.55 3kdp s SER 172 CO -0.08 -0.68 0.79 0.27 0.98 0.00 0.00 173.24 174.52 3kdp s ILE 173 N -2.68 0.00 -0.26 -1.02 -4.36 0.18 -4.93 121.20 108.13 3kdp s ILE 173 Ca 0.59 -0.69 -0.39 0.00 -0.26 0.00 0.00 60.65 59.90 3kdp s ILE 173 Cb -0.11 -1.79 -0.14 0.00 1.25 0.00 0.00 42.46 41.67 3kdp s ILE 173 CO 0.34 0.00 1.84 -3.20 0.24 0.00 0.00 174.94 174.16 3kdp n ASN 174 N -0.44 2.54 0.20 4.36 2.85 -1.26 -0.13 115.26 123.38 3kdp n ASN 174 Ca -0.07 0.97 0.05 0.00 -0.11 0.00 0.00 54.58 55.42 3kdp n ASN 174 Cb 0.61 -1.19 0.28 0.00 1.24 0.00 0.00 39.78 40.71 3kdp n ASN 174 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kdp h ALA 175 N 8.29 1.38 -0.00 5.20 0.00 -1.37 0.90 119.26 133.65 3kdp h ALA 175 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kdp h ALA 175 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kdp h ALA 175 CO 0.97 -0.38 -0.47 0.39 0.00 0.00 0.00 179.25 179.76 3kdp n GLU 176 N -2.12 0.42 -0.22 0.00 1.02 -1.26 -3.37 120.64 115.12 3kdp n GLU 176 Ca -0.01 -0.27 0.08 0.00 -0.02 0.00 0.00 57.16 56.94 3kdp n GLU 176 Cb 0.51 -1.49 0.22 0.00 -0.02 0.00 0.00 31.44 30.66 3kdp n GLU 176 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kdp n GLU 177 N -1.05 2.04 -2.28 3.49 1.02 0.31 -1.59 120.64 122.58 3kdp n GLU 177 Ca 0.08 -1.62 -0.41 0.00 -0.02 0.00 0.00 57.16 55.20 3kdp n GLU 177 Cb 0.35 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 3kdp n GLU 177 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kdp s VAL 178 N -1.43 3.18 0.21 2.62 1.01 -1.22 -4.87 120.40 119.90 3kdp s VAL 178 Ca 0.31 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.47 3kdp s VAL 178 Cb 0.16 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3kdp s VAL 178 CO 0.22 0.23 -0.14 0.68 0.00 0.00 0.00 175.10 176.08 3kdp s VAL 179 N -0.69 1.72 -1.02 2.92 -7.23 -1.26 -4.48 120.40 110.37 3kdp s VAL 179 Ca 0.50 -2.21 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 3kdp s VAL 179 Cb -0.36 -2.05 -0.13 0.00 0.56 0.00 0.00 36.38 34.40 3kdp s VAL 179 CO 0.44 -0.59 2.08 -0.69 -0.31 0.00 0.00 175.10 176.03 3kdp s VAL 180 N -2.98 3.27 0.00 1.32 1.01 -1.26 -2.82 120.40 118.94 3kdp s VAL 180 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3kdp s VAL 180 Cb -0.01 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3kdp s VAL 180 CO 0.07 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3kdp n GLY 181 N 6.32 0.84 1.83 4.51 0.00 -1.18 -5.03 105.19 112.48 3kdp n GLY 181 Ca 0.43 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 3kdp n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 182 N 0.00 0.26 -4.38 1.61 5.75 -1.13 -4.51 116.55 114.16 3kdp n ASP 182 Ca 0.00 -1.34 -0.39 0.00 -0.01 0.00 0.00 54.79 53.05 3kdp n ASP 182 Cb 0.00 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 39.55 3kdp n ASP 182 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3kdp s LEU 183 N 0.00 4.21 -0.09 -2.12 2.96 -1.26 -2.28 118.68 120.10 3kdp s LEU 183 Ca 0.34 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3kdp s LEU 183 Cb -0.01 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3kdp s LEU 183 CO 0.23 -0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.12 3kdp s VAL 184 N 1.54 2.53 -0.38 1.68 1.01 -0.33 -1.31 120.40 125.14 3kdp s VAL 184 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3kdp s VAL 184 Cb -0.18 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.30 3kdp s VAL 184 CO 0.05 0.56 0.15 -0.70 0.00 0.00 0.00 175.10 175.16 3kdp s GLU 185 N -0.02 2.26 0.06 2.72 2.12 -0.26 -1.22 118.70 124.36 3kdp s GLU 185 Ca -0.06 -1.56 -0.26 0.00 0.36 0.00 0.00 54.97 53.45 3kdp s GLU 185 Cb -0.15 -3.50 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 3kdp s GLU 185 CO 0.05 -0.90 0.80 0.14 -0.54 0.00 0.00 175.26 174.80 3kdp s VAL 186 N 1.24 4.69 0.00 3.70 -7.23 -1.08 -4.59 120.40 117.13 3kdp s VAL 186 Ca 0.03 1.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.90 3kdp s VAL 186 Cb -0.22 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.57 3kdp s VAL 186 CO -0.02 0.36 0.00 2.29 -0.31 0.00 0.00 175.10 177.42 3kdp n LYS 187 N 2.79 3.46 -3.27 4.82 -0.00 -1.26 -1.21 118.16 123.50 3kdp n LYS 187 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.91 3kdp n LYS 187 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.47 3kdp n LYS 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3kdp s GLY 188 N -0.54 2.57 0.00 2.58 0.00 -1.06 -4.36 107.32 106.52 3kdp s GLY 188 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3kdp s GLY 188 CO 0.00 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.35 3kdp n GLY 189 N 2.41 2.43 3.86 0.20 0.00 1.35 -4.96 105.19 110.47 3kdp n GLY 189 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3kdp n GLY 189 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kdp s ASP 190 N 0.00 2.37 0.22 1.61 3.84 -1.25 -4.42 116.67 119.04 3kdp s ASP 190 Ca 0.00 0.25 0.04 0.00 -0.00 0.00 0.00 52.55 52.85 3kdp s ASP 190 Cb 0.00 -0.26 -0.03 0.00 -1.38 0.00 0.00 42.92 41.25 3kdp s ASP 190 CO 0.00 -3.19 0.33 -0.13 -0.00 0.00 0.00 175.17 172.18 3kdp s ARG 191 N -5.85 3.40 -0.58 2.11 0.52 -1.26 -1.02 118.95 116.28 3kdp s ARG 191 Ca 0.75 -0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 55.03 3kdp s ARG 191 Cb -0.04 -2.89 0.08 0.00 0.52 0.00 0.00 34.95 32.63 3kdp s ARG 191 CO 0.54 0.45 0.72 0.42 0.02 0.00 0.00 175.30 177.46 3kdp s ILE 192 N -1.93 4.76 0.15 1.52 -1.09 -0.03 -4.89 121.20 119.68 3kdp s ILE 192 Ca 0.34 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 3kdp s ILE 192 Cb -0.09 -4.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 3kdp s ILE 192 CO 0.29 -1.08 1.56 -0.65 -1.23 0.00 0.00 174.94 173.82 3kdp h PRO 193 N 9.19 -0.29 0.00 2.79 0.11 -1.90 -3.31 132.00 138.58 3kdp h PRO 193 Ca -0.29 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kdp h PRO 193 Cb 1.09 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kdp h PRO 193 CO 1.07 -0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 3kdp n ALA 194 N -3.11 0.00 -2.58 -0.75 0.00 -1.26 -4.83 120.51 107.98 3kdp n ALA 194 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3kdp n ALA 194 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 3kdp n ALA 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kdp s ASP 195 N 1.00 6.13 -0.12 0.00 1.11 -0.20 -3.21 116.67 121.39 3kdp s ASP 195 Ca 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 52.55 52.67 3kdp s ASP 195 Cb 0.00 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 3kdp s ASP 195 CO 0.00 -0.17 0.11 -0.76 1.18 0.00 0.00 175.17 175.54 3kdp s LEU 196 N 1.91 4.23 -0.25 1.23 1.43 -0.91 0.61 118.68 126.93 3kdp s LEU 196 Ca 0.10 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3kdp s LEU 196 Cb -0.16 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3kdp s LEU 196 CO 0.11 0.39 0.07 -0.60 0.23 0.00 0.00 176.35 176.55 3kdp s ARG 197 N -0.93 3.68 -0.22 1.70 3.00 0.94 -0.53 118.95 126.59 3kdp s ARG 197 Ca 0.14 -0.47 -0.25 0.00 -1.00 0.00 0.00 55.73 54.16 3kdp s ARG 197 Cb -0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 34.95 31.49 3kdp s ARG 197 CO 0.03 -0.17 0.83 0.42 0.00 0.00 0.00 175.30 176.42 3kdp s ILE 198 N 1.57 4.85 0.00 4.11 1.01 0.86 0.12 121.20 133.72 3kdp s ILE 198 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.30 3kdp s ILE 198 Cb -0.15 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3kdp s ILE 198 CO 0.04 -0.04 0.00 2.30 0.00 0.00 0.00 174.94 177.24 3kdp n ILE 199 N 5.09 0.00 -1.16 2.92 -6.64 -0.27 -4.40 119.36 114.90 3kdp n ILE 199 Ca 0.05 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.74 3kdp n ILE 199 Cb 0.48 -0.89 0.20 0.00 -1.44 0.00 0.00 39.64 37.99 3kdp n ILE 199 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 3kdp s SER 200 N -1.00 2.02 -0.30 7.28 0.15 -1.24 -4.49 113.70 116.12 3kdp s SER 200 Ca 0.00 0.97 -0.24 0.00 0.70 0.00 0.00 55.95 57.37 3kdp s SER 200 Cb 0.00 -1.48 0.19 0.00 -1.71 0.00 0.00 66.02 63.02 3kdp s SER 200 CO 0.00 -3.48 1.45 0.00 1.20 0.00 0.00 173.24 172.41 3kdp s ALA 201 N -3.00 -2.26 -0.01 5.45 0.00 -1.26 -2.64 121.76 118.04 3kdp s ALA 201 Ca 0.67 1.69 0.00 0.00 0.00 0.00 0.00 51.96 54.32 3kdp s ALA 201 Cb -0.15 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.16 3kdp s ALA 201 CO 0.57 -0.11 -0.01 1.21 0.00 0.00 0.00 175.76 177.43 3kdp s ASN 202 N 0.08 0.17 -0.57 0.00 3.84 0.31 -4.91 114.94 113.86 3kdp s ASN 202 Ca 0.07 -0.02 -0.13 0.00 0.21 0.00 0.00 52.86 52.99 3kdp s ASN 202 Cb -0.05 -0.05 0.02 0.00 -0.55 0.00 0.00 41.25 40.63 3kdp s ASN 202 CO -0.16 -0.01 0.25 0.61 -2.79 0.00 0.00 177.10 175.00 3kdp n GLY 203 N 3.31 -0.32 3.03 1.21 0.00 -1.26 -0.12 105.19 111.04 3kdp n GLY 203 Ca -0.16 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3kdp n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp s LYS 205 N 1.07 2.66 -0.28 0.00 1.02 -0.02 0.17 119.74 124.36 3kdp s LYS 205 Ca -0.02 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.46 3kdp s LYS 205 Cb -0.20 -2.43 0.09 0.00 -0.52 0.00 0.00 37.83 34.78 3kdp s LYS 205 CO -0.07 0.06 0.68 0.54 -0.92 0.00 0.00 175.35 175.65 3kdp s VAL 206 N -2.34 -0.19 -0.83 3.17 0.11 0.14 -2.69 120.40 117.77 3kdp s VAL 206 Ca 0.41 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.21 3kdp s VAL 206 Cb -0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3kdp s VAL 206 CO 0.26 0.00 1.85 -0.62 -3.33 0.00 0.00 175.10 173.26 3kdp s ASP 207 N 1.88 5.34 -0.07 3.54 3.68 0.08 -2.20 116.67 128.93 3kdp s ASP 207 Ca -0.09 -0.47 0.04 0.00 2.13 0.00 0.00 52.55 54.16 3kdp s ASP 207 Cb -0.06 -2.55 0.25 0.00 -1.45 0.00 0.00 42.92 39.10 3kdp s ASP 207 CO -0.20 -2.49 0.90 0.59 0.13 0.00 0.00 175.17 174.09 3kdp n ASN 208 N 12.99 2.47 -0.06 -0.34 4.13 -1.26 -3.87 115.26 129.31 3kdp n ASN 208 Ca 0.33 -2.29 -0.07 0.00 1.68 0.00 0.00 54.58 54.22 3kdp n ASN 208 Cb 0.49 -0.56 -0.01 0.00 -1.54 0.00 0.00 39.78 38.16 3kdp n ASN 208 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3kdp h SER 209 N 1.16 -0.68 0.00 6.41 4.64 -1.83 -1.15 113.55 122.10 3kdp h SER 209 Ca 0.01 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kdp h SER 209 Cb 0.98 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3kdp h SER 209 CO 0.16 -0.25 0.00 -1.20 -0.87 0.00 0.00 176.83 174.67 3kdp n SER 210 N -5.36 0.00 0.09 4.97 7.64 -1.26 0.91 113.62 120.61 3kdp n SER 210 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kdp n SER 210 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3kdp n SER 210 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kdp n LEU 211 N -0.39 -0.51 0.13 -3.43 0.00 -0.53 -4.10 117.00 108.17 3kdp n LEU 211 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 56.01 56.09 3kdp n LEU 211 Cb 0.00 0.62 -0.16 0.00 0.00 0.00 0.00 43.42 43.89 3kdp n LEU 211 CO 0.00 -0.56 -0.28 0.71 0.00 0.00 0.00 177.39 177.26 3kdp h THR 212 N 0.00 1.23 0.00 1.96 1.35 -1.06 -3.44 112.91 112.95 3kdp h THR 212 Ca 0.00 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 3kdp h THR 212 Cb 0.00 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3kdp h THR 212 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 3kdp n GLY 213 N 1.74 3.20 3.91 5.82 0.00 0.26 -4.04 105.19 116.08 3kdp n GLY 213 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3kdp n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdp s GLU 214 N -0.76 3.32 0.00 1.61 0.41 -1.26 -4.90 118.70 117.12 3kdp s GLU 214 Ca 0.00 -0.68 0.11 0.00 -0.41 0.00 0.00 54.97 53.99 3kdp s GLU 214 Cb 0.00 -2.89 0.30 0.00 -1.78 0.00 0.00 34.13 29.77 3kdp s GLU 214 CO 0.00 0.50 1.24 0.43 -0.49 0.00 0.00 175.26 176.95 3kdp n SER 215 N -0.58 2.90 -4.75 -0.19 7.64 -1.26 -2.70 113.62 114.68 3kdp n SER 215 Ca -0.07 -1.98 -0.40 0.00 1.01 0.00 0.00 58.87 57.42 3kdp n SER 215 Cb 0.54 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 3kdp n SER 215 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3kdp s GLU 216 N -1.00 4.71 0.31 1.43 -1.05 -1.26 -4.83 118.70 117.02 3kdp s GLU 216 Ca 0.23 1.62 -0.28 0.00 -0.15 0.00 0.00 54.97 56.40 3kdp s GLU 216 Cb 0.12 -3.27 -0.09 0.00 -0.44 0.00 0.00 34.13 30.45 3kdp s GLU 216 CO 0.16 0.28 1.08 -2.14 0.95 0.00 0.00 175.26 175.59 3kdp s PRO 217 N -0.85 4.52 0.29 -4.83 0.02 -1.26 -4.51 135.00 128.38 3kdp s PRO 217 Ca 0.45 1.73 0.07 0.00 0.02 0.00 0.00 61.00 63.27 3kdp s PRO 217 Cb -0.28 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 3kdp s PRO 217 CO 0.35 0.12 0.24 -0.65 -0.33 0.00 0.00 177.00 176.73 3kdp s GLN 218 N -1.71 2.81 -0.06 5.54 -1.52 -0.94 -4.76 119.66 119.02 3kdp s GLN 218 Ca 0.48 -1.18 -0.08 0.00 -1.95 0.00 0.00 55.36 52.63 3kdp s GLN 218 Cb -0.29 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 3kdp s GLN 218 CO 0.38 0.25 0.22 0.99 -0.25 0.00 0.00 175.29 176.88 3kdp s THR 219 N -2.22 5.37 -0.19 -0.19 2.01 -1.26 0.25 115.64 119.41 3kdp s THR 219 Ca 0.37 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 3kdp s THR 219 Cb -0.07 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3kdp s THR 219 CO 0.26 0.54 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.48 3kdp s ARG 220 N -1.25 3.24 0.25 4.92 1.81 0.44 -4.67 118.95 123.69 3kdp s ARG 220 Ca 0.20 -0.71 0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3kdp s ARG 220 Cb -0.13 -2.79 -0.05 0.00 -0.45 0.00 0.00 34.95 31.52 3kdp s ARG 220 CO 0.09 -0.14 0.05 -1.54 -0.68 0.00 0.00 175.30 173.09 3kdp s SER 221 N 1.23 1.52 0.00 0.23 1.04 -0.13 -4.21 113.70 113.38 3kdp s SER 221 Ca 0.03 -1.31 0.25 0.00 0.48 0.00 0.00 55.95 55.39 3kdp s SER 221 Cb -0.14 0.08 1.48 0.00 0.10 0.00 0.00 66.02 67.54 3kdp s SER 221 CO -0.05 -0.63 1.93 -2.65 0.98 0.00 0.00 173.24 172.82 3kdp n PRO 222 N -0.45 0.96 -1.53 4.02 -0.02 -1.26 -3.12 135.00 133.60 3kdp n PRO 222 Ca -0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.19 3kdp n PRO 222 Cb 0.65 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.62 3kdp n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kdp n ASP 223 N -0.90 0.88 -4.67 2.55 8.00 -1.26 -4.79 116.55 116.36 3kdp n ASP 223 Ca 0.19 -0.69 -0.46 0.00 0.71 0.00 0.00 54.79 54.54 3kdp n ASP 223 Cb 0.09 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.12 39.91 3kdp n ASP 223 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kdp n PHE 224 N 13.34 2.26 0.00 1.24 -0.00 -1.26 -3.87 117.46 129.17 3kdp n PHE 224 Ca 0.53 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 58.28 3kdp n PHE 224 Cb 0.31 -2.53 0.00 0.00 -0.00 0.00 0.00 39.48 37.27 3kdp n PHE 224 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3kdp n THR 225 N 3.06 0.00 -3.85 -2.13 -2.24 -1.26 -4.96 114.28 102.90 3kdp n THR 225 Ca 0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 3kdp n THR 225 Cb 0.29 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 3kdp n THR 225 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kdp s ASN 226 N -1.80 -0.03 0.13 3.42 3.04 -1.26 -5.01 114.94 113.42 3kdp s ASN 226 Ca 0.00 -0.07 -0.30 0.00 0.04 0.00 0.00 52.86 52.53 3kdp s ASN 226 Cb 0.00 0.24 -0.07 0.00 -1.54 0.00 0.00 41.25 39.89 3kdp s ASN 226 CO 0.00 -0.30 1.58 -0.08 -3.04 0.00 0.00 177.10 175.26 3kdp h GLU 227 N 4.63 -0.50 -6.23 0.43 4.22 -1.98 -3.43 114.58 111.72 3kdp h GLU 227 Ca -0.29 0.03 -0.58 0.00 0.08 0.00 0.00 59.36 58.60 3kdp h GLU 227 Cb 1.19 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 3kdp h GLU 227 CO 0.40 -0.33 0.82 1.21 -2.18 0.00 0.00 179.01 178.92 3kdp s ASN 228 N -4.85 6.96 0.24 1.04 3.84 -1.26 -4.91 114.94 116.01 3kdp s ASN 228 Ca -0.16 1.12 0.15 0.00 0.21 0.00 0.00 52.86 54.19 3kdp s ASN 228 Cb 0.09 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 39.09 3kdp s ASN 228 CO 0.64 -0.81 1.45 -2.65 -2.79 0.00 0.00 177.10 172.94 3kdp n PRO 229 N 6.70 0.10 0.01 0.43 -0.02 -1.26 0.31 135.00 141.26 3kdp n PRO 229 Ca 0.12 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3kdp n PRO 229 Cb 0.47 -1.87 0.48 0.00 -0.02 0.00 0.00 33.50 32.57 3kdp n PRO 229 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kdp n LEU 230 N -2.04 0.23 -0.01 2.45 4.77 -1.26 -4.25 117.00 116.89 3kdp n LEU 230 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3kdp n LEU 230 Cb 0.06 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3kdp n LEU 230 CO 0.07 0.02 -0.59 -0.62 -1.33 0.00 0.00 177.39 174.94 3kdp n GLU 231 N -1.59 1.62 -1.83 3.23 -0.58 0.15 -5.02 120.64 116.62 3kdp n GLU 231 Ca 0.06 -0.02 -0.38 0.00 -0.42 0.00 0.00 57.16 56.40 3kdp n GLU 231 Cb 0.35 -1.10 0.04 0.00 -0.57 0.00 0.00 31.44 30.16 3kdp n GLU 231 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3kdp s THR 232 N -2.21 2.19 -1.78 2.62 -1.32 -1.12 -4.88 115.64 109.14 3kdp s THR 232 Ca -0.02 0.13 0.14 0.00 -1.21 0.00 0.00 61.69 60.73 3kdp s THR 232 Cb 0.02 -3.06 0.43 0.00 -1.51 0.00 0.00 72.50 68.38 3kdp s THR 232 CO 0.17 -0.01 1.34 0.54 -2.21 0.00 0.00 174.62 174.45 3kdp n ARG 233 N -1.25 2.29 -0.17 7.08 1.74 -1.25 -3.87 116.66 121.24 3kdp n ARG 233 Ca 0.12 -1.73 0.06 0.00 -0.77 0.00 0.00 57.85 55.53 3kdp n ARG 233 Cb 0.46 -1.46 0.15 0.00 -1.02 0.00 0.00 32.46 30.60 3kdp n ARG 233 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3kdp n ASN 234 N 0.80 2.88 -4.36 0.55 6.94 -1.18 -0.96 115.26 119.93 3kdp n ASN 234 Ca 0.16 -1.95 -0.33 0.00 -0.02 0.00 0.00 54.58 52.44 3kdp n ASN 234 Cb 0.46 -0.22 -0.14 0.00 -2.36 0.00 0.00 39.78 37.52 3kdp n ASN 234 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3kdp s ILE 235 N -1.00 3.07 0.16 1.53 -1.09 -1.25 -0.10 121.20 122.53 3kdp s ILE 235 Ca 0.24 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 58.06 3kdp s ILE 235 Cb 0.13 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3kdp s ILE 235 CO 0.17 0.51 0.15 0.00 -1.23 0.00 0.00 174.94 174.53 3kdp s ALA 236 N 0.51 3.60 -0.03 9.38 0.00 0.31 -4.97 121.76 130.57 3kdp s ALA 236 Ca -0.08 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3kdp s ALA 236 Cb -0.16 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3kdp s ALA 236 CO 0.04 0.51 -0.21 -0.06 0.00 0.00 0.00 175.76 176.04 3kdp s PHE 237 N -1.74 1.97 0.27 0.00 0.08 -1.26 -2.13 117.98 115.17 3kdp s PHE 237 Ca 0.31 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 3kdp s PHE 237 Cb -0.10 -1.28 -0.11 0.00 -0.57 0.00 0.00 43.02 40.95 3kdp s PHE 237 CO 0.24 -0.08 1.62 0.12 -0.10 0.00 0.00 175.22 177.02 3kdp s PHE 238 N -0.37 2.79 0.00 0.36 2.19 -1.20 -2.20 117.98 119.56 3kdp s PHE 238 Ca 0.05 0.69 0.00 0.00 0.33 0.00 0.00 56.93 57.99 3kdp s PHE 238 Cb -0.10 -4.08 0.00 0.00 -1.31 0.00 0.00 43.02 37.53 3kdp s PHE 238 CO 0.00 -3.74 0.00 -1.13 1.83 0.00 0.00 175.22 172.18 3kdp n SER 239 N 2.60 0.00 -4.68 6.13 3.41 -1.25 -4.59 113.62 115.23 3kdp n SER 239 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.41 3kdp n SER 239 Cb 0.37 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.48 3kdp n SER 239 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kdp s THR 240 N -0.86 2.48 0.09 6.66 -4.23 -0.93 -4.73 115.64 114.12 3kdp s THR 240 Ca 0.00 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3kdp s THR 240 Cb 0.00 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 3kdp s THR 240 CO 0.00 -0.21 -0.16 0.54 -0.54 0.00 0.00 174.62 174.25 3kdp s ASN 241 N -3.25 2.01 -0.60 3.99 6.03 -1.25 -0.86 114.94 121.01 3kdp s ASN 241 Ca 0.64 -0.66 -0.23 0.00 -1.03 0.00 0.00 52.86 51.58 3kdp s ASN 241 Cb -0.19 -0.08 0.05 0.00 -3.03 0.00 0.00 41.25 38.00 3kdp s ASN 241 CO 0.58 -0.04 0.94 0.00 -2.03 0.00 0.00 177.10 176.55 3kdp h VAL 243 N 5.99 1.26 -1.80 0.00 2.07 -1.82 4.09 116.25 126.04 3kdp h VAL 243 Ca -0.27 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3kdp h VAL 243 Cb 1.07 1.49 -0.21 0.00 -1.52 0.00 0.00 31.29 32.12 3kdp h VAL 243 CO 1.12 0.37 0.34 -1.83 0.02 0.00 0.00 177.57 177.59 3kdp s GLU 244 N -4.38 0.81 0.00 1.57 -1.05 -1.21 -4.21 118.70 110.23 3kdp s GLU 244 Ca -0.05 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 3kdp s GLU 244 Cb 0.14 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3kdp s GLU 244 CO 0.76 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 177.15 3kdp n GLY 245 N 1.19 0.32 3.49 -3.83 0.00 -1.18 -0.84 105.19 104.34 3kdp n GLY 245 Ca -0.15 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 3kdp n GLY 245 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kdp s THR 246 N 0.00 0.00 0.21 2.61 -1.32 0.82 -2.55 115.64 115.42 3kdp s THR 246 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 3kdp s THR 246 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3kdp s THR 246 CO 0.00 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 172.84 3kdp s ALA 247 N -2.94 -0.33 0.05 11.08 0.00 -0.35 0.12 121.76 129.40 3kdp s ALA 247 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.31 3kdp s ALA 247 Cb -0.01 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3kdp s ALA 247 CO -0.08 -0.78 -0.14 1.03 0.00 0.00 0.00 175.76 175.79 3kdp s ARG 248 N -3.97 0.88 0.05 0.00 0.52 -1.08 -2.62 118.95 112.72 3kdp s ARG 248 Ca 0.18 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.43 3kdp s ARG 248 Cb 0.00 -0.89 0.01 0.00 0.52 0.00 0.00 34.95 34.60 3kdp s ARG 248 CO 0.04 0.21 0.24 0.20 0.02 0.00 0.00 175.30 176.00 3kdp s GLY 249 N -1.42 -0.03 -0.15 -3.53 0.00 -0.36 -1.11 107.32 100.73 3kdp s GLY 249 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 3kdp s GLY 249 CO 0.02 -0.39 0.09 -0.42 0.00 0.00 0.00 173.10 172.39 3kdp s ILE 250 N -2.71 5.06 -0.37 0.90 -1.09 0.12 -1.19 121.20 121.91 3kdp s ILE 250 Ca -0.04 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.14 3kdp s ILE 250 Cb -0.00 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 3kdp s ILE 250 CO -0.05 0.53 1.14 0.68 -1.23 0.00 0.00 174.94 176.01 3kdp s VAL 251 N -0.25 4.33 -0.10 2.92 -7.23 -0.97 -0.04 120.40 119.07 3kdp s VAL 251 Ca 0.09 1.47 0.22 0.00 -1.81 0.00 0.00 61.98 61.96 3kdp s VAL 251 Cb -0.12 -4.43 -0.23 0.00 0.56 0.00 0.00 36.38 32.16 3kdp s VAL 251 CO 0.01 -0.67 0.65 1.33 -0.31 0.00 0.00 175.10 176.12 3kdp n VAL 252 N 6.29 0.25 -3.83 1.32 0.24 0.20 -3.11 118.33 119.69 3kdp n VAL 252 Ca 0.13 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 3kdp n VAL 252 Cb 0.48 -0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.57 3kdp n VAL 252 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3kdp s TYR 253 N -3.43 -0.04 -0.33 6.34 2.02 -1.21 -4.99 117.35 115.71 3kdp s TYR 253 Ca -0.06 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 3kdp s TYR 253 Cb 0.12 -0.05 0.10 0.00 -0.40 0.00 0.00 41.96 41.73 3kdp s TYR 253 CO 0.87 -0.05 0.04 -0.08 -1.57 0.00 0.00 175.55 174.76 3kdp s THR 254 N 0.34 2.16 0.00 -0.71 -1.32 -1.26 -1.03 115.64 113.82 3kdp s THR 254 Ca -0.03 -2.22 0.00 0.00 -1.21 0.00 0.00 61.69 58.23 3kdp s THR 254 Cb -0.04 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3kdp s THR 254 CO -0.01 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 3kdp n GLY 255 N 4.31 3.38 0.59 6.08 0.00 -1.26 -3.07 105.19 115.22 3kdp n GLY 255 Ca 0.02 -0.13 0.43 0.00 0.00 0.00 0.00 46.02 46.34 3kdp n GLY 255 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3kdp h ASP 256 N 0.00 0.09 0.74 1.61 1.82 -1.90 -0.42 116.42 118.37 3kdp h ASP 256 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 3kdp h ASP 256 Cb 0.00 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.05 3kdp h ASP 256 CO 0.00 -0.05 -0.53 0.54 -1.61 0.00 0.00 179.24 177.58 3kdp n ARG 257 N -4.25 0.16 0.00 0.28 1.74 -1.17 -3.39 116.66 110.03 3kdp n ARG 257 Ca 0.37 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3kdp n ARG 257 Cb 1.62 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 3kdp n ARG 257 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kdp n THR 258 N -1.84 0.00 -0.01 0.55 -2.24 -0.17 -4.76 114.28 105.81 3kdp n THR 258 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3kdp n THR 258 Cb 0.39 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3kdp n THR 258 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kdp n VAL 259 N 0.00 0.13 -0.03 2.28 0.31 -1.26 -4.00 118.33 115.76 3kdp n VAL 259 Ca 0.00 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.15 3kdp n VAL 259 Cb 0.00 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 3kdp n VAL 259 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kdp h MET 260 N -0.06 0.21 -0.89 5.55 2.86 -1.92 -3.20 114.93 117.47 3kdp h MET 260 Ca -0.06 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 57.57 3kdp h MET 260 Cb 1.06 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.65 3kdp h MET 260 CO -0.03 0.76 0.50 0.78 1.06 0.00 0.00 176.91 179.99 3kdp h GLY 261 N -0.32 1.47 1.19 8.32 0.00 -1.85 0.56 103.07 112.45 3kdp h GLY 261 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kdp h GLY 261 CO 0.03 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.13 3kdp n ARG 262 N -4.79 0.15 -0.06 4.80 1.74 -1.21 -1.74 116.66 115.54 3kdp n ARG 262 Ca 0.18 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.25 3kdp n ARG 262 Cb 0.41 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3kdp n ARG 262 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kdp n ILE 263 N -1.10 1.40 -0.34 0.55 2.08 0.18 -3.38 119.36 118.76 3kdp n ILE 263 Ca 0.04 0.14 0.22 0.00 0.56 0.00 0.00 62.75 63.71 3kdp n ILE 263 Cb 0.03 -2.12 0.42 0.00 -0.75 0.00 0.00 39.64 37.22 3kdp n ILE 263 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kdp n ALA 264 N -4.19 0.73 -1.00 -1.39 0.00 -0.47 0.67 120.51 114.85 3kdp n ALA 264 Ca -0.15 1.05 0.00 0.00 0.00 0.00 0.00 53.44 54.34 3kdp n ALA 264 Cb 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3kdp n ALA 264 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kdp n THR 265 N -5.40 0.00 -0.35 0.00 -1.04 -0.71 -1.69 114.28 105.09 3kdp n THR 265 Ca 0.30 0.39 0.27 0.00 -2.04 0.00 0.00 64.05 62.97 3kdp n THR 265 Cb 0.99 -1.11 0.43 0.00 -1.82 0.00 0.00 70.33 68.81 3kdp n THR 265 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kdp n LEU 266 N 0.00 0.03 0.00 -4.42 0.00 0.17 -1.94 117.00 110.84 3kdp n LEU 266 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 56.01 56.60 3kdp n LEU 266 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 43.42 43.13 3kdp n LEU 266 CO 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 177.39 176.79 3kdp n ALA 267 N -2.51 0.00 -0.14 1.96 0.00 0.21 -4.11 120.51 115.91 3kdp n ALA 267 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3kdp n ALA 267 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3kdp n ALA 267 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kdp n SER 268 N -1.83 0.00 -0.47 0.00 2.88 -0.68 -0.72 113.62 112.80 3kdp n SER 268 Ca 0.00 -1.41 -0.01 0.00 -1.33 0.00 0.00 58.87 56.12 3kdp n SER 268 Cb 0.00 -0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 3kdp n SER 268 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdp n GLY 269 N 3.33 0.08 2.91 0.46 0.00 -1.21 -4.77 105.19 106.00 3kdp n GLY 269 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kdp n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdp s LEU 270 N 0.00 1.85 -0.15 0.99 1.43 0.10 -4.98 118.68 117.91 3kdp s LEU 270 Ca 0.00 -0.79 -0.35 0.00 -1.03 0.00 0.00 54.13 51.96 3kdp s LEU 270 Cb 0.00 -0.99 -0.12 0.00 0.03 0.00 0.00 46.19 45.10 3kdp s LEU 270 CO 0.00 -0.19 1.89 -1.84 0.23 0.00 0.00 176.35 176.44 3kdp n GLU 271 N 4.82 1.88 -0.00 1.70 0.00 -1.26 -4.87 120.64 122.91 3kdp n GLU 271 Ca -0.12 0.68 -0.09 0.00 0.00 0.00 0.00 57.16 57.62 3kdp n GLU 271 Cb 0.47 -2.54 -0.03 0.00 0.00 0.00 0.00 31.44 29.34 3kdp n GLU 271 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3kdp h GLY 272 N 9.27 -0.13 -0.31 -1.84 0.00 -1.98 -3.49 103.07 104.60 3kdp h GLY 272 Ca -0.46 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3kdp h GLY 272 CO 0.96 -0.17 -0.07 0.61 0.00 0.00 0.00 176.54 177.86 3kdp n GLY 273 N -1.33 -1.79 3.65 4.60 0.00 -1.26 -4.83 105.19 104.23 3kdp n GLY 273 Ca -0.03 -1.48 -0.49 0.00 0.00 0.00 0.00 46.02 44.03 3kdp n GLY 273 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kdp n GLN 274 N -2.24 1.82 -0.33 1.61 6.02 -1.26 -4.98 117.38 118.01 3kdp n GLN 274 Ca -0.00 0.66 -0.20 0.00 -0.01 0.00 0.00 57.00 57.45 3kdp n GLN 274 Cb 0.06 -2.40 0.18 0.00 1.02 0.00 0.00 30.24 29.11 3kdp n GLN 274 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kdp n THR 275 N 3.53 0.00 0.46 5.09 -2.24 -1.26 -4.94 114.28 114.91 3kdp n THR 275 Ca 0.19 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 3kdp n THR 275 Cb 0.25 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 67.73 3kdp n THR 275 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3kdp n PRO 276 N -4.25 0.37 -0.06 -0.78 -0.05 -1.26 -3.94 135.00 125.02 3kdp n PRO 276 Ca 0.09 0.06 -0.08 0.00 -0.05 0.00 0.00 63.50 63.52 3kdp n PRO 276 Cb 0.39 -1.68 -0.07 0.00 -0.05 0.00 0.00 33.50 32.09 3kdp n PRO 276 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 175.50 176.42 3kdp h ILE 277 N 0.00 1.01 0.00 0.52 6.09 -1.92 -3.34 117.51 119.87 3kdp h ILE 277 Ca 0.00 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.73 3kdp h ILE 277 Cb 0.80 1.92 0.00 0.00 0.47 0.00 0.00 36.82 40.01 3kdp h ILE 277 CO 0.00 0.34 0.00 0.00 -3.07 0.00 0.00 178.15 175.42 3kdp h ALA 278 N -0.44 1.00 -0.60 0.18 0.00 -1.92 3.86 119.26 121.34 3kdp h ALA 278 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3kdp h ALA 278 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 3kdp h ALA 278 CO -0.00 0.00 0.26 0.00 0.00 0.00 0.00 179.25 179.51 3kdp n ALA 279 N -1.84 4.23 -0.05 0.00 0.00 -1.25 -2.07 120.51 119.53 3kdp n ALA 279 Ca -0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 53.44 51.50 3kdp n ALA 279 Cb 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3kdp n ALA 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kdp n GLU 280 N -0.16 0.24 -0.13 0.00 -0.58 1.28 -4.57 120.64 116.71 3kdp n GLU 280 Ca 0.34 0.10 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 3kdp n GLU 280 Cb 1.19 -0.91 -0.06 0.00 -0.57 0.00 0.00 31.44 31.09 3kdp n GLU 280 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3kdp h ILE 281 N -0.42 0.00 0.00 -3.67 1.08 -1.58 1.02 117.51 113.95 3kdp h ILE 281 Ca -0.22 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3kdp h ILE 281 Cb 1.05 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 3kdp h ILE 281 CO -0.13 0.00 0.24 -0.62 -0.69 0.00 0.00 178.15 176.94 3kdp n GLU 282 N -4.23 0.18 0.00 2.37 1.02 -0.88 -2.30 120.64 116.80 3kdp n GLU 282 Ca -0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3kdp n GLU 282 Cb 0.18 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3kdp n GLU 282 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3kdp n HIS 283 N 2.54 -0.36 -0.11 -0.32 -0.00 0.35 -4.82 115.22 112.50 3kdp n HIS 283 Ca 0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.13 3kdp n HIS 283 Cb 0.09 0.21 0.09 0.00 -0.12 0.00 0.00 29.99 30.25 3kdp n HIS 283 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3kdp h PHE 284 N 0.00 0.92 -0.69 1.57 -5.15 -1.05 -2.42 116.94 110.12 3kdp h PHE 284 Ca 0.00 -0.20 0.15 0.00 -0.20 0.00 0.00 57.97 57.72 3kdp h PHE 284 Cb 0.00 -0.23 -0.11 0.00 0.22 0.00 0.00 35.95 35.84 3kdp h PHE 284 CO 0.00 0.93 0.10 0.82 -2.00 0.00 0.00 178.31 178.16 3kdp h ILE 285 N 0.73 0.50 -0.39 0.88 2.04 -1.71 0.12 117.51 119.68 3kdp h ILE 285 Ca 0.11 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3kdp h ILE 285 Cb 0.69 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3kdp h ILE 285 CO 0.05 0.04 0.22 0.45 0.00 0.00 0.00 178.15 178.91 3kdp h HIS 286 N 0.20 0.51 0.30 1.37 3.86 -1.68 -1.86 115.15 117.85 3kdp h HIS 286 Ca 0.38 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 3kdp h HIS 286 Cb 0.63 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3kdp h HIS 286 CO -0.31 0.35 -0.14 0.82 0.86 0.00 0.00 177.93 179.51 3kdp h ILE 287 N 0.54 0.00 0.00 2.45 2.04 -0.76 -2.99 117.51 118.79 3kdp h ILE 287 Ca 0.14 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3kdp h ILE 287 Cb 0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3kdp h ILE 287 CO -0.02 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.75 3kdp n ILE 288 N -4.50 0.00 -0.01 -0.67 5.41 0.22 -1.66 119.36 118.15 3kdp n ILE 288 Ca -0.05 0.59 0.00 0.00 1.00 0.00 0.00 62.75 64.29 3kdp n ILE 288 Cb 0.16 -1.08 0.01 0.00 -0.71 0.00 0.00 39.64 38.02 3kdp n ILE 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3kdp n THR 289 N -0.20 -0.01 0.00 1.39 -1.04 -0.70 0.12 114.28 113.84 3kdp n THR 289 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kdp n THR 289 Cb 0.00 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3kdp n THR 289 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kdp n GLY 290 N -1.01 -3.20 0.28 3.41 0.00 -0.66 -0.91 105.19 103.09 3kdp n GLY 290 Ca 0.01 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.57 3kdp n GLY 290 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kdp h VAL 291 N 0.00 0.27 0.00 1.61 -1.51 0.15 0.12 116.25 116.88 3kdp h VAL 291 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 3kdp h VAL 291 Cb 0.00 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 3kdp h VAL 291 CO 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 177.57 176.38 3kdp n ALA 292 N -3.16 1.07 0.00 5.19 0.00 -0.41 -1.28 120.51 121.92 3kdp n ALA 292 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 3kdp n ALA 292 Cb 0.42 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3kdp n ALA 292 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kdp n VAL 293 N -1.24 1.04 -0.37 0.00 0.24 0.23 -4.27 118.33 113.95 3kdp n VAL 293 Ca 0.00 0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 3kdp n VAL 293 Cb 0.03 -1.72 0.06 0.00 -1.47 0.00 0.00 33.84 30.74 3kdp n VAL 293 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3kdp n PHE 294 N -3.61 0.09 0.00 6.34 7.35 -0.16 0.54 117.46 128.01 3kdp n PHE 294 Ca -0.06 1.21 0.00 0.00 -0.76 0.00 0.00 57.45 57.84 3kdp n PHE 294 Cb 0.26 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.18 3kdp n PHE 294 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kdp n LEU 295 N -5.48 0.00 -0.23 -2.13 4.77 -0.41 -0.34 117.00 113.18 3kdp n LEU 295 Ca 0.11 0.46 0.18 0.00 -0.03 0.00 0.00 56.01 56.72 3kdp n LEU 295 Cb 0.41 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.78 3kdp n LEU 295 CO -0.13 0.00 0.49 0.61 -1.33 0.00 0.00 177.39 177.03 3kdp n GLY 296 N -0.51 -0.33 0.04 -0.72 0.00 -0.22 0.15 105.19 103.60 3kdp n GLY 296 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.26 3kdp n GLY 296 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kdp n VAL 297 N -2.72 0.53 -0.04 1.61 0.24 0.19 -4.29 118.33 113.85 3kdp n VAL 297 Ca 0.15 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.34 61.83 3kdp n VAL 297 Cb 0.67 -0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.79 3kdp n VAL 297 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3kdp h SER 298 N 0.00 -0.22 -2.05 -1.34 0.02 0.44 -2.99 113.55 107.41 3kdp h SER 298 Ca -0.21 0.07 -0.78 0.00 -0.84 0.00 0.00 61.79 60.02 3kdp h SER 298 Cb 1.37 0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.84 3kdp h SER 298 CO 0.01 -0.08 1.49 0.49 -1.14 0.00 0.00 176.83 177.60 3kdp n PHE 299 N -5.21 2.59 0.03 3.45 3.01 -0.27 -2.78 117.46 118.28 3kdp n PHE 299 Ca -0.02 -2.68 0.00 0.00 1.01 0.00 0.00 57.45 55.76 3kdp n PHE 299 Cb 0.14 -1.61 0.00 0.00 -0.01 0.00 0.00 39.48 37.99 3kdp n PHE 299 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3kdp n PHE 300 N 2.49 -1.89 -0.24 1.38 7.35 -1.18 -4.48 117.46 120.89 3kdp n PHE 300 Ca 0.35 0.23 0.02 0.00 -0.76 0.00 0.00 57.45 57.29 3kdp n PHE 300 Cb 0.34 0.82 0.14 0.00 0.35 0.00 0.00 39.48 41.13 3kdp n PHE 300 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 3kdp h ILE 301 N 0.00 0.81 0.00 -2.13 -0.00 -1.67 0.19 117.51 114.71 3kdp h ILE 301 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.67 3kdp h ILE 301 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 36.82 37.02 3kdp h ILE 301 CO 0.00 0.10 0.00 0.25 -0.00 0.00 0.00 178.15 178.50 3kdp h LEU 302 N 0.56 0.00 0.26 0.16 6.46 -1.74 -0.02 115.31 120.99 3kdp h LEU 302 Ca 0.36 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 3kdp h LEU 302 Cb 0.41 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3kdp h LEU 302 CO -0.29 0.00 -0.19 -1.28 -0.62 0.00 0.00 178.44 176.05 3kdp h SER 303 N 0.00 -0.50 -0.55 1.25 0.87 -1.26 -3.21 113.55 110.15 3kdp h SER 303 Ca 0.00 0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.38 3kdp h SER 303 Cb 0.53 0.16 -0.13 0.00 -0.44 0.00 0.00 62.40 62.52 3kdp h SER 303 CO 0.00 -0.28 0.28 0.00 -0.53 0.00 0.00 176.83 176.30 3kdp n LEU 304 N -3.47 4.94 -0.00 2.23 -0.00 -0.22 -2.00 117.00 118.48 3kdp n LEU 304 Ca -0.05 -2.58 0.10 0.00 -0.00 0.00 0.00 56.01 53.48 3kdp n LEU 304 Cb 0.19 -0.68 -0.12 0.00 -0.00 0.00 0.00 43.42 42.81 3kdp n LEU 304 CO 0.12 0.73 -0.10 0.00 -0.00 0.00 0.00 177.39 178.13 3kdp n ILE 305 N -0.23 0.00 0.17 1.47 0.00 -0.04 -3.81 119.36 116.93 3kdp n ILE 305 Ca 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 62.75 63.04 3kdp n ILE 305 Cb 1.12 0.89 -0.03 0.00 0.00 0.00 0.00 39.64 41.62 3kdp n ILE 305 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kdp n LEU 306 N -1.57 0.17 -2.68 9.51 4.77 -1.19 -5.06 117.00 120.95 3kdp n LEU 306 Ca 0.03 -0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3kdp n LEU 306 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kdp n LEU 306 CO 0.43 0.04 0.25 -0.62 -1.33 0.00 0.00 177.39 176.17 3kdp n GLU 307 N -1.19 -1.02 -0.74 3.23 4.71 -0.85 -5.04 120.64 119.74 3kdp n GLU 307 Ca 0.01 1.23 -0.29 0.00 -0.01 0.00 0.00 57.16 58.09 3kdp n GLU 307 Cb 0.07 -4.71 0.25 0.00 -1.01 0.00 0.00 31.44 26.04 3kdp n GLU 307 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3kdp s TYR 308 N -3.01 0.68 0.00 -0.32 4.12 -1.22 -5.00 117.35 112.59 3kdp s TYR 308 Ca 0.01 0.78 0.00 0.00 0.02 0.00 0.00 57.07 57.88 3kdp s TYR 308 Cb -0.00 -3.16 0.00 0.00 -1.52 0.00 0.00 41.96 37.28 3kdp s TYR 308 CO 0.56 -4.07 0.00 2.41 0.02 0.00 0.00 175.55 174.48 3kdp n THR 309 N -4.98 0.00 0.01 -0.71 -1.04 -1.26 -4.80 114.28 101.50 3kdp n THR 309 Ca 0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 3kdp n THR 309 Cb 0.58 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.08 3kdp n THR 309 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3kdp h TRP 310 N -0.84 -0.08 0.00 -1.42 -0.00 -2.01 -3.36 115.95 108.24 3kdp h TRP 310 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3kdp h TRP 310 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.19 3kdp h TRP 310 CO 0.00 -0.05 0.00 1.47 -0.00 0.00 0.00 178.44 179.86 3kdp n LEU 311 N -3.36 0.00 -0.86 0.65 -0.00 -1.26 0.59 117.00 112.75 3kdp n LEU 311 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.12 3kdp n LEU 311 Cb 0.03 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.63 3kdp n LEU 311 CO 0.03 0.00 0.67 -0.62 -0.00 0.00 0.00 177.39 177.47 3kdp n GLU 312 N -0.56 2.19 -0.03 1.47 1.02 -1.26 -3.18 120.64 120.29 3kdp n GLU 312 Ca 0.01 -1.73 -0.04 0.00 -0.02 0.00 0.00 57.16 55.37 3kdp n GLU 312 Cb 0.01 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 3kdp n GLU 312 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kdp n ALA 313 N 1.11 2.08 0.43 0.62 0.00 0.20 -3.98 120.51 120.97 3kdp n ALA 313 Ca 0.15 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3kdp n ALA 313 Cb 0.55 0.39 0.46 0.00 0.00 0.00 0.00 19.45 20.85 3kdp n ALA 313 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kdp n VAL 314 N -2.82 0.83 0.08 0.00 0.24 -0.99 0.84 118.33 116.52 3kdp n VAL 314 Ca -0.10 0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 3kdp n VAL 314 Cb 0.60 -1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 31.85 3kdp n VAL 314 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3kdp h ILE 315 N 0.00 0.41 0.00 1.34 1.08 -1.79 -3.30 117.51 115.26 3kdp h ILE 315 Ca 0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 3kdp h ILE 315 Cb 0.37 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 3kdp h ILE 315 CO 0.00 0.23 -0.62 0.33 -0.69 0.00 0.00 178.15 177.41 3kdp n PHE 316 N -2.92 0.57 0.19 1.37 7.35 0.71 -3.35 117.46 121.38 3kdp n PHE 316 Ca -0.04 0.17 -0.08 0.00 -0.76 0.00 0.00 57.45 56.73 3kdp n PHE 316 Cb 0.73 -0.67 -0.04 0.00 0.35 0.00 0.00 39.48 39.85 3kdp n PHE 316 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3kdp h LEU 317 N 0.00 -0.45 -1.34 -2.13 3.38 0.31 -1.85 115.31 113.23 3kdp h LEU 317 Ca 0.00 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.42 3kdp h LEU 317 Cb 0.75 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 3kdp h LEU 317 CO 0.00 -0.08 0.90 -0.38 0.09 0.00 0.00 178.44 178.97 3kdp n ILE 318 N -4.79 -0.14 0.06 1.22 5.41 -1.24 0.80 119.36 120.67 3kdp n ILE 318 Ca -0.07 1.45 -0.03 0.00 1.00 0.00 0.00 62.75 65.10 3kdp n ILE 318 Cb 0.21 -2.38 -0.01 0.00 -0.71 0.00 0.00 39.64 36.74 3kdp n ILE 318 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3kdp h GLY 319 N 0.00 -0.21 0.94 7.39 0.00 -1.59 -3.24 103.07 106.35 3kdp h GLY 319 Ca 0.77 0.08 0.10 0.00 0.00 0.00 0.00 47.33 48.28 3kdp h GLY 319 CO -0.27 -0.08 0.45 1.19 0.00 0.00 0.00 176.54 177.83 3kdp h ILE 320 N -0.55 0.90 0.00 2.60 6.09 0.12 -0.80 117.51 125.86 3kdp h ILE 320 Ca -0.02 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3kdp h ILE 320 Cb 0.16 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.80 3kdp h ILE 320 CO 0.03 0.09 0.00 -0.38 -3.07 0.00 0.00 178.15 174.83 3kdp n ILE 321 N -4.48 0.00 -0.16 2.19 2.08 0.24 -2.76 119.36 116.47 3kdp n ILE 321 Ca 0.11 0.73 0.06 0.00 0.56 0.00 0.00 62.75 64.21 3kdp n ILE 321 Cb 0.38 -1.62 0.11 0.00 -0.75 0.00 0.00 39.64 37.76 3kdp n ILE 321 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kdp n VAL 322 N -0.28 -0.20 0.18 1.39 0.31 -1.06 0.34 118.33 119.01 3kdp n VAL 322 Ca 0.00 1.04 0.02 0.00 -0.01 0.00 0.00 64.34 65.39 3kdp n VAL 322 Cb 0.00 -1.49 0.11 0.00 -0.91 0.00 0.00 33.84 31.55 3kdp n VAL 322 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kdp n ALA 323 N -3.55 1.24 -0.06 3.52 0.00 -0.33 -3.84 120.51 117.50 3kdp n ALA 323 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3kdp n ALA 323 Cb 0.32 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3kdp n ALA 323 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdp n ASN 324 N -1.49 1.28 -4.63 0.00 3.02 1.03 -4.27 115.26 110.20 3kdp n ASN 324 Ca 0.01 0.21 -0.46 0.00 -0.03 0.00 0.00 54.58 54.31 3kdp n ASN 324 Cb 0.06 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 3kdp n ASN 324 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kdp n VAL 325 N -3.82 0.52 0.65 2.41 0.31 -0.99 -4.89 118.33 112.51 3kdp n VAL 325 Ca -0.21 -0.21 0.06 0.00 -0.01 0.00 0.00 64.34 63.96 3kdp n VAL 325 Cb 0.55 -2.11 0.32 0.00 -0.91 0.00 0.00 33.84 31.69 3kdp n VAL 325 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kdp n PRO 326 N 7.54 0.30 0.00 5.55 -0.02 -1.26 -4.84 135.00 142.27 3kdp n PRO 326 Ca 0.26 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3kdp n PRO 326 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3kdp n PRO 326 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdp n GLU 327 N -1.08 0.00 -0.61 -0.52 4.71 -1.26 -3.70 120.64 118.18 3kdp n GLU 327 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.03 3kdp n GLU 327 Cb 0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.46 3kdp n GLU 327 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kdp n GLY 328 N 0.00 2.76 2.00 0.62 0.00 -1.24 -3.56 105.19 105.78 3kdp n GLY 328 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3kdp n GLY 328 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kdp n LEU 329 N 4.64 -0.07 0.08 0.99 7.94 -1.24 -4.51 117.00 124.82 3kdp n LEU 329 Ca 0.36 0.05 0.02 0.00 -1.11 0.00 0.00 56.01 55.33 3kdp n LEU 329 Cb 0.13 0.15 0.09 0.00 0.53 0.00 0.00 43.42 44.31 3kdp n LEU 329 CO 0.69 -0.51 0.63 0.18 -1.11 0.00 0.00 177.39 177.27 3kdp n LEU 330 N -2.59 0.09 -0.01 -1.96 4.77 -1.23 0.21 117.00 116.28 3kdp n LEU 330 Ca 0.00 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.27 3kdp n LEU 330 Cb 0.00 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3kdp n LEU 330 CO 0.00 -0.31 -0.57 0.00 -1.33 0.00 0.00 177.39 175.19 3kdp n ALA 331 N -1.28 2.10 -0.32 -1.18 0.00 -1.26 -3.74 120.51 114.82 3kdp n ALA 331 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3kdp n ALA 331 Cb 0.43 -0.07 0.21 0.00 0.00 0.00 0.00 19.45 20.01 3kdp n ALA 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp h THR 332 N 0.00 0.88 0.01 0.00 1.03 0.22 -2.17 112.91 112.88 3kdp h THR 332 Ca -0.02 -0.29 -0.00 0.00 -0.01 0.00 0.00 66.41 66.08 3kdp h THR 332 Cb 0.42 -0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 3kdp h THR 332 CO 0.00 0.16 -0.00 0.58 -0.01 0.00 0.00 175.52 176.24 3kdp h VAL 333 N 0.85 1.44 -0.95 0.00 2.07 -0.04 -0.22 116.25 119.40 3kdp h VAL 333 Ca 0.45 -1.33 0.39 0.00 0.82 0.00 0.00 66.70 67.03 3kdp h VAL 333 Cb 0.47 2.34 -0.17 0.00 -1.52 0.00 0.00 31.29 32.41 3kdp h VAL 333 CO -0.27 0.34 0.48 0.41 0.02 0.00 0.00 177.57 178.55 3kdp n THR 334 N -4.82 -0.40 0.07 2.57 -1.04 -1.18 -1.55 114.28 107.93 3kdp n THR 334 Ca -0.09 1.94 -0.21 0.00 -2.04 0.00 0.00 64.05 63.65 3kdp n THR 334 Cb 0.29 -3.13 -0.15 0.00 -1.82 0.00 0.00 70.33 65.52 3kdp n THR 334 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3kdp h VAL 335 N 0.00 1.45 -0.91 12.58 2.07 -0.72 -2.61 116.25 128.10 3kdp h VAL 335 Ca 0.79 -2.58 0.24 0.00 0.82 0.00 0.00 66.70 65.98 3kdp h VAL 335 Cb 2.08 3.16 -0.13 0.00 -1.52 0.00 0.00 31.29 34.87 3kdp h VAL 335 CO -0.74 0.74 0.39 0.00 0.02 0.00 0.00 177.57 177.97 3kdp n LEU 337 N -5.09 0.01 0.10 0.00 4.32 -0.73 -2.81 117.00 112.80 3kdp n LEU 337 Ca 0.24 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 3kdp n LEU 337 Cb 0.72 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 3kdp n LEU 337 CO 0.11 -0.22 0.52 0.35 -1.22 0.00 0.00 177.39 176.92 3kdp n THR 338 N -1.17 0.00 0.00 -5.08 -2.24 -0.99 -1.02 114.28 103.78 3kdp n THR 338 Ca 0.00 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 3kdp n THR 338 Cb 0.00 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 3kdp n THR 338 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kdp n LEU 339 N -1.23 0.37 0.21 3.22 4.77 -0.87 -3.30 117.00 120.16 3kdp n LEU 339 Ca 0.00 0.35 0.18 0.00 -0.03 0.00 0.00 56.01 56.51 3kdp n LEU 339 Cb 0.52 -0.43 0.80 0.00 -2.33 0.00 0.00 43.42 41.98 3kdp n LEU 339 CO 0.00 -0.43 1.16 0.71 -1.33 0.00 0.00 177.39 177.50 3kdp h THR 340 N 0.00 0.24 0.00 -5.08 1.35 -1.04 0.57 112.91 108.94 3kdp h THR 340 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3kdp h THR 340 Cb 0.00 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 3kdp h THR 340 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3kdp n ALA 341 N -2.16 -0.23 0.00 6.62 0.00 -0.71 -2.54 120.51 121.48 3kdp n ALA 341 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kdp n ALA 341 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kdp n ALA 341 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kdp n LYS 342 N -1.26 0.00 -0.02 0.00 4.76 -0.42 -0.53 118.16 120.69 3kdp n LYS 342 Ca 0.00 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.32 3kdp n LYS 342 Cb 0.00 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 31.49 3kdp n LYS 342 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kdp h ARG 343 N 0.00 0.21 -0.17 1.97 2.43 -0.76 -3.38 114.38 114.68 3kdp h ARG 343 Ca 0.00 -0.36 -0.13 0.00 -0.81 0.00 0.00 59.98 58.68 3kdp h ARG 343 Cb 0.13 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3kdp h ARG 343 CO 0.00 1.17 -0.44 0.52 -1.51 0.00 0.00 179.97 179.71 3kdp h MET 344 N -0.23 0.42 0.00 0.20 2.86 -0.52 -2.83 114.93 114.83 3kdp h MET 344 Ca -0.39 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 3kdp h MET 344 Cb 1.83 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.50 3kdp h MET 344 CO 0.02 0.78 0.14 0.00 1.06 0.00 0.00 176.91 178.92 3kdp n ALA 345 N -2.49 0.75 0.07 6.32 0.00 -1.00 0.20 120.51 124.35 3kdp n ALA 345 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3kdp n ALA 345 Cb 0.52 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 3kdp n ALA 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp h ARG 346 N 0.00 0.00 -0.50 0.00 3.08 -1.69 -3.18 114.38 112.10 3kdp h ARG 346 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdp h ARG 346 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3kdp h ARG 346 CO 0.00 0.18 0.00 1.63 -1.07 0.00 0.00 179.97 180.71 3kdp n LYS 347 N -2.83 1.81 -1.04 0.04 4.76 0.53 -4.87 118.16 116.57 3kdp n LYS 347 Ca -0.05 -0.89 -0.01 0.00 -2.87 0.00 0.00 58.31 54.49 3kdp n LYS 347 Cb 0.72 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.49 3kdp n LYS 347 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kdp n ASN 348 N 0.18 -3.70 -4.54 4.39 3.02 -0.92 -4.93 115.26 108.76 3kdp n ASN 348 Ca 0.08 0.04 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 3kdp n ASN 348 Cb 0.34 -1.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 3kdp n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdp s LEU 350 N 1.90 4.40 -0.17 0.00 0.20 -1.22 -2.37 118.68 121.43 3kdp s LEU 350 Ca 0.10 1.10 0.01 0.00 0.69 0.00 0.00 54.13 56.02 3kdp s LEU 350 Cb -0.17 -3.09 0.01 0.00 -0.43 0.00 0.00 46.19 42.52 3kdp s LEU 350 CO 0.11 0.17 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.48 3kdp s VAL 351 N -1.33 2.29 -0.47 1.68 1.01 -1.26 -1.55 120.40 120.77 3kdp s VAL 351 Ca 0.34 -0.87 0.21 0.00 0.00 0.00 0.00 61.98 61.65 3kdp s VAL 351 Cb -0.16 -1.97 -0.28 0.00 0.00 0.00 0.00 36.38 33.97 3kdp s VAL 351 CO 0.18 0.52 0.66 0.29 0.00 0.00 0.00 175.10 176.75 3kdp n LYS 352 N 4.47 0.44 -3.65 2.72 5.02 -0.16 -4.75 118.16 122.25 3kdp n LYS 352 Ca -0.20 -0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 55.70 3kdp n LYS 352 Cb 0.51 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.87 3kdp n LYS 352 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kdp s ASN 353 N -3.75 3.34 0.14 4.39 0.01 -1.25 -4.81 114.94 113.01 3kdp s ASN 353 Ca -0.01 -1.16 -0.32 0.00 -0.71 0.00 0.00 52.86 50.66 3kdp s ASN 353 Cb 0.14 -0.53 -0.08 0.00 0.41 0.00 0.00 41.25 41.19 3kdp s ASN 353 CO 0.86 -0.39 1.55 0.25 -1.51 0.00 0.00 177.10 177.87 3kdp h LEU 354 N 8.28 -1.83 -0.72 0.60 5.85 -1.86 0.65 115.31 126.29 3kdp h LEU 354 Ca -0.17 0.25 0.21 0.00 0.84 0.00 0.00 57.88 59.02 3kdp h LEU 354 Cb 1.06 0.77 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 3kdp h LEU 354 CO 0.40 -0.38 1.07 -0.62 -0.34 0.00 0.00 178.44 178.57 3kdp n GLU 355 N -5.37 0.02 0.19 1.25 1.02 -1.26 0.91 120.64 117.40 3kdp n GLU 355 Ca -0.02 0.92 0.10 0.00 -0.02 0.00 0.00 57.16 58.14 3kdp n GLU 355 Cb 0.34 -2.33 0.12 0.00 -0.02 0.00 0.00 31.44 29.54 3kdp n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kdp h ALA 356 N 0.36 0.87 -0.37 0.62 0.00 -0.04 -3.20 119.26 117.50 3kdp h ALA 356 Ca 0.34 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.27 3kdp h ALA 356 Cb 2.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 3kdp h ALA 356 CO -0.00 0.12 0.30 0.28 0.00 0.00 0.00 179.25 179.95 3kdp h VAL 357 N 0.00 0.65 0.15 0.00 2.07 0.44 0.33 116.25 119.89 3kdp h VAL 357 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kdp h VAL 357 Cb 1.07 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3kdp h VAL 357 CO 0.01 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 177.45 3kdp h GLU 358 N 0.00 -0.19 -0.25 1.57 4.22 -1.74 -3.41 114.58 114.77 3kdp h GLU 358 Ca 0.18 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.67 3kdp h GLU 358 Cb 0.78 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 3kdp h GLU 358 CO -0.00 -0.13 -0.07 2.41 -2.18 0.00 0.00 179.01 179.04 3kdp n THR 359 N -3.81 -0.11 -0.17 0.32 -1.04 0.10 -0.86 114.28 108.72 3kdp n THR 359 Ca -0.02 0.58 0.25 0.00 -2.04 0.00 0.00 64.05 62.82 3kdp n THR 359 Cb 0.08 -0.79 0.68 0.00 -1.82 0.00 0.00 70.33 68.47 3kdp n THR 359 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3kdp h LEU 360 N 0.00 0.08 -0.02 -4.42 5.85 -1.79 -2.52 115.31 112.49 3kdp h LEU 360 Ca 0.11 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 3kdp h LEU 360 Cb 0.17 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.22 3kdp h LEU 360 CO -0.26 0.03 -1.00 1.23 -0.34 0.00 0.00 178.44 178.11 3kdp h GLY 361 N 0.08 0.80 -0.24 3.75 0.00 -1.21 -3.18 103.07 103.07 3kdp h GLY 361 Ca 0.41 -1.35 0.00 0.00 0.00 0.00 0.00 47.33 46.39 3kdp h GLY 361 CO -0.04 1.20 0.00 1.44 0.00 0.00 0.00 176.54 179.14 3kdp n SER 362 N -3.88 0.17 -4.75 0.19 7.64 -0.95 -4.76 113.62 107.28 3kdp n SER 362 Ca -0.11 -1.39 -0.38 0.00 1.01 0.00 0.00 58.87 58.00 3kdp n SER 362 Cb 0.86 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.92 3kdp n SER 362 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kdp s THR 363 N -1.76 5.09 -0.23 0.44 2.01 -1.20 -4.61 115.64 115.38 3kdp s THR 363 Ca 0.00 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.04 3kdp s THR 363 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3kdp s THR 363 CO 0.00 0.39 0.21 -1.54 -0.69 0.00 0.00 174.62 173.00 3kdp n SER 364 N 3.10 0.29 -3.79 3.53 3.41 -0.38 -4.79 113.62 115.00 3kdp n SER 364 Ca -0.08 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.75 3kdp n SER 364 Cb 0.52 0.92 -0.13 0.00 -0.26 0.00 0.00 64.21 65.26 3kdp n SER 364 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kdp s THR 365 N -1.32 -0.02 -0.09 6.66 2.01 -0.98 -1.14 115.64 120.76 3kdp s THR 365 Ca 0.02 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.11 3kdp s THR 365 Cb 0.03 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3kdp s THR 365 CO 0.16 0.03 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.35 3kdp s ILE 366 N 0.54 2.97 -0.17 1.82 1.01 0.46 -0.27 121.20 127.56 3kdp s ILE 366 Ca -0.04 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3kdp s ILE 366 Cb -0.05 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3kdp s ILE 366 CO -0.03 0.56 -0.19 0.00 0.00 0.00 0.00 174.94 175.28 3kdp s SER 368 N 1.08 2.84 0.12 0.00 0.15 -0.85 -0.37 113.70 116.68 3kdp s SER 368 Ca -0.00 -0.54 -0.35 0.00 0.70 0.00 0.00 55.95 55.75 3kdp s SER 368 Cb -0.14 -1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 62.71 3kdp s SER 368 CO -0.07 -0.03 1.19 -0.67 1.20 0.00 0.00 173.24 174.87 3kdp n ASP 369 N 4.65 1.19 -0.00 5.45 -0.08 -0.86 -1.71 116.55 125.20 3kdp n ASP 369 Ca -0.19 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.22 3kdp n ASP 369 Cb 0.50 -1.16 -0.00 0.00 2.34 0.00 0.00 41.12 42.79 3kdp n ASP 369 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3kdp h LYS 370 N 3.65 -0.05 -6.43 -0.67 3.64 -1.92 -2.95 116.57 111.84 3kdp h LYS 370 Ca -0.45 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.39 3kdp h LYS 370 Cb 1.35 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.22 3kdp h LYS 370 CO 0.72 -0.03 1.13 2.41 -2.27 0.00 0.00 179.45 181.40 3kdp n THR 371 N -3.48 0.50 0.00 1.00 -1.04 -1.26 -1.22 114.28 108.78 3kdp n THR 371 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3kdp n THR 371 Cb 0.02 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.42 3kdp n THR 371 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kdp n GLY 372 N 4.31 2.61 0.00 3.41 0.00 -1.17 -4.67 105.19 109.68 3kdp n GLY 372 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kdp n GLY 372 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kdp n THR 373 N 0.00 0.00 -0.29 2.61 -1.04 -1.12 -4.56 114.28 109.88 3kdp n THR 373 Ca 0.00 0.24 0.05 0.00 -2.04 0.00 0.00 64.05 62.30 3kdp n THR 373 Cb 0.00 -1.05 0.27 0.00 -1.82 0.00 0.00 70.33 67.73 3kdp n THR 373 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kdp h LEU 374 N 0.00 0.85 0.00 -4.42 3.38 -1.03 -3.45 115.31 110.63 3kdp h LEU 374 Ca 0.00 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.57 3kdp h LEU 374 Cb 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3kdp h LEU 374 CO 0.00 0.53 -0.27 0.35 0.09 0.00 0.00 178.44 179.14 3kdp n THR 375 N -4.50 0.00 1.12 0.22 -2.24 -0.36 -2.80 114.28 105.73 3kdp n THR 375 Ca 0.14 -1.53 0.12 0.00 -2.27 0.00 0.00 64.05 60.51 3kdp n THR 375 Cb 0.24 0.14 0.18 0.00 -2.10 0.00 0.00 70.33 68.79 3kdp n THR 375 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdp n GLN 376 N -1.01 1.68 -3.95 -0.78 6.02 -1.01 -3.03 117.38 115.30 3kdp n GLN 376 Ca -0.10 -1.29 -0.30 0.00 -0.01 0.00 0.00 57.00 55.31 3kdp n GLN 376 Cb 0.42 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 3kdp n GLN 376 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kdp n ASN 377 N 0.46 -1.74 -3.50 1.08 5.15 -1.26 -4.75 115.26 110.71 3kdp n ASN 377 Ca 0.13 -1.08 -0.23 0.00 -0.60 0.00 0.00 54.58 52.81 3kdp n ASN 377 Cb 0.48 -2.80 -0.13 0.00 -0.53 0.00 0.00 39.78 36.80 3kdp n ASN 377 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3kdp s ARG 378 N -6.62 0.21 0.20 1.20 3.52 -1.26 -4.98 118.95 111.21 3kdp s ARG 378 Ca 0.17 -0.20 -0.33 0.00 -0.13 0.00 0.00 55.73 55.24 3kdp s ARG 378 Cb -0.07 -1.13 -0.14 0.00 -1.56 0.00 0.00 34.95 32.05 3kdp s ARG 378 CO 0.91 -0.89 1.42 -0.12 -0.81 0.00 0.00 175.30 175.80 3kdp n MET 379 N 5.29 1.88 -3.62 5.12 0.00 -1.26 -4.58 117.12 119.94 3kdp n MET 379 Ca -0.05 0.67 -0.12 0.00 -0.00 0.00 0.00 57.70 58.20 3kdp n MET 379 Cb 0.46 -2.34 -0.07 0.00 0.00 0.00 0.00 33.22 31.27 3kdp n MET 379 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3kdp s THR 380 N 0.24 0.00 -0.07 1.12 -1.32 0.96 -4.50 115.64 112.06 3kdp s THR 380 Ca 0.73 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.92 3kdp s THR 380 Cb -0.71 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.21 3kdp s THR 380 CO 0.46 0.00 1.93 -0.69 -2.21 0.00 0.00 174.62 174.11 3kdp s VAL 381 N 0.02 3.20 -0.13 5.08 1.01 -1.26 -0.02 120.40 128.30 3kdp s VAL 381 Ca 0.00 0.23 0.15 0.00 0.00 0.00 0.00 61.98 62.37 3kdp s VAL 381 Cb -0.04 -3.18 -0.22 0.00 0.00 0.00 0.00 36.38 32.94 3kdp s VAL 381 CO -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 175.10 175.16 3kdp n ALA 382 N 8.56 1.82 -3.35 5.51 0.00 0.83 -4.70 120.51 129.19 3kdp n ALA 382 Ca 0.22 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 3kdp n ALA 382 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 3kdp n ALA 382 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kdp s HIS 383 N -2.57 0.56 0.19 0.00 3.76 -1.01 -3.21 115.29 113.02 3kdp s HIS 383 Ca -0.08 -1.01 -0.18 0.00 -0.15 0.00 0.00 55.06 53.65 3kdp s HIS 383 Cb 0.06 0.37 0.03 0.00 1.11 0.00 0.00 32.58 34.15 3kdp s HIS 383 CO 0.68 -1.33 0.52 -1.64 -0.85 0.00 0.00 174.74 172.12 3kdp s MET 384 N -2.81 1.36 -0.38 1.40 -1.94 -0.71 -2.25 119.30 113.96 3kdp s MET 384 Ca 0.23 -0.84 0.11 0.00 -1.71 0.00 0.00 55.69 53.48 3kdp s MET 384 Cb -0.03 0.52 0.44 0.00 2.01 0.00 0.00 34.83 37.77 3kdp s MET 384 CO 0.15 -0.57 1.04 1.87 -0.01 0.00 0.00 175.02 177.49 3kdp n TRP 385 N -0.33 2.35 -0.72 -0.03 -0.00 0.20 -1.96 117.44 116.94 3kdp n TRP 385 Ca -0.11 -2.96 -0.32 0.00 -0.00 0.00 0.00 57.50 54.12 3kdp n TRP 385 Cb 0.63 -0.22 0.15 0.00 -0.00 0.00 0.00 31.31 31.87 3kdp n TRP 385 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 3kdp n SER 386 N -0.28 -0.54 -3.29 5.87 7.64 -1.25 -3.90 113.62 117.87 3kdp n SER 386 Ca 0.25 0.39 -0.17 0.00 1.01 0.00 0.00 58.87 60.35 3kdp n SER 386 Cb 0.74 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 3kdp n SER 386 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kdp n ASP 387 N -3.17 0.06 0.00 6.43 10.43 -1.26 -1.46 116.55 127.57 3kdp n ASP 387 Ca 0.10 -0.63 0.00 0.00 2.57 0.00 0.00 54.79 56.83 3kdp n ASP 387 Cb 0.53 -0.79 0.00 0.00 1.84 0.00 0.00 41.12 42.69 3kdp n ASP 387 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kdp n ASN 388 N -1.14 0.00 -4.80 -2.24 5.15 -1.26 -4.93 115.26 106.03 3kdp n ASN 388 Ca -0.10 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.56 3kdp n ASN 388 Cb 0.31 -1.19 -0.07 0.00 -0.53 0.00 0.00 39.78 38.30 3kdp n ASN 388 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3kdp s GLN 389 N -0.01 3.08 -0.21 1.20 2.00 -0.54 -5.09 119.66 120.10 3kdp s GLN 389 Ca 0.00 -0.51 -0.22 0.00 -2.00 0.00 0.00 55.36 52.64 3kdp s GLN 389 Cb 0.00 -2.86 -0.02 0.00 0.80 0.00 0.00 33.01 30.93 3kdp s GLN 389 CO 0.00 0.63 0.67 0.42 -0.50 0.00 0.00 175.29 176.51 3kdp s ILE 390 N -1.26 4.98 0.20 -2.34 1.01 -1.26 -3.75 121.20 118.78 3kdp s ILE 390 Ca 0.25 1.27 0.05 0.00 0.00 0.00 0.00 60.65 62.22 3kdp s ILE 390 Cb -0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3kdp s ILE 390 CO 0.17 0.07 0.22 -1.00 0.00 0.00 0.00 174.94 174.40 3kdp s HIS 391 N 2.10 3.25 0.02 3.97 3.76 -0.83 -4.94 115.29 122.63 3kdp s HIS 391 Ca 0.30 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.23 3kdp s HIS 391 Cb -0.16 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 3kdp s HIS 391 CO 0.10 0.50 -0.13 -1.83 -0.85 0.00 0.00 174.74 172.53 3kdp s GLU 392 N -3.53 0.95 0.54 1.40 -1.05 -1.26 -1.75 118.70 114.00 3kdp s GLU 392 Ca 0.33 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 3kdp s GLU 392 Cb -0.09 -0.93 0.01 0.00 -0.44 0.00 0.00 34.13 32.68 3kdp s GLU 392 CO 0.26 0.24 0.11 0.00 0.95 0.00 0.00 175.26 176.82 3kdp s ALA 393 N -0.62 4.36 -0.54 -0.84 0.00 -1.20 -4.48 121.76 118.44 3kdp s ALA 393 Ca 0.03 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 3kdp s ALA 393 Cb -0.07 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.93 3kdp s ALA 393 CO 0.00 -0.12 0.72 0.34 0.00 0.00 0.00 175.76 176.70 3kdp s ASP 394 N -4.01 6.24 -0.17 0.00 -1.08 -1.26 -4.91 116.67 111.48 3kdp s ASP 394 Ca 0.08 -0.89 0.06 0.00 -0.52 0.00 0.00 52.55 51.28 3kdp s ASP 394 Cb -0.01 -2.33 0.41 0.00 -1.46 0.00 0.00 42.92 39.54 3kdp s ASP 394 CO 0.05 -1.03 1.28 0.35 0.52 0.00 0.00 175.17 176.35 3kdp n THR 395 N 5.74 1.73 -2.06 1.71 -2.24 -1.26 -4.87 114.28 113.02 3kdp n THR 395 Ca -0.05 -0.85 -0.02 0.00 -2.27 0.00 0.00 64.05 60.86 3kdp n THR 395 Cb 0.45 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 3kdp n THR 395 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kdp n THR 396 N 0.09 0.00 0.15 4.28 -2.24 -1.26 -4.76 114.28 110.54 3kdp n THR 396 Ca 0.21 -0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 3kdp n THR 396 Cb 0.89 -1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.58 3kdp n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kdp n GLU 397 N -1.15 1.17 0.00 -0.78 1.02 -1.26 -4.54 120.64 115.10 3kdp n GLU 397 Ca 0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3kdp n GLU 397 Cb 0.04 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3kdp n GLU 397 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kdp n ASN 398 N -1.73 4.39 -1.08 1.62 0.23 -1.26 -4.91 115.26 112.52 3kdp n ASN 398 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3kdp n ASN 398 Cb 0.27 0.80 0.00 0.00 -2.08 0.00 0.00 39.78 38.77 3kdp n ASN 398 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kdp n GLN 399 N -1.40 0.00 0.00 -3.83 1.13 -1.26 -5.04 117.38 106.97 3kdp n GLN 399 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kdp n GLN 399 Cb 0.08 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.85 3kdp n GLN 399 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kdp n SER 400 N -1.08 0.00 -3.27 1.08 7.64 -1.26 -4.91 113.62 111.82 3kdp n SER 400 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3kdp n SER 400 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3kdp n SER 400 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdp n GLY 401 N -0.41 -2.25 3.99 0.23 0.00 -1.26 -5.03 105.19 100.46 3kdp n GLY 401 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 3kdp n GLY 401 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdp s VAL 402 N -0.05 3.31 0.00 1.61 1.01 -1.26 -4.97 120.40 120.05 3kdp s VAL 402 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3kdp s VAL 402 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3kdp s VAL 402 CO 0.00 -0.07 0.00 -1.20 0.00 0.00 0.00 175.10 173.83 3kdp n SER 403 N -1.91 0.00 0.00 3.32 7.64 -1.26 -4.13 113.62 117.28 3kdp n SER 403 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3kdp n SER 403 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3kdp n SER 403 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3kdp n PHE 404 N 0.00 0.00 0.00 1.43 1.16 -1.26 -4.54 117.46 114.25 3kdp n PHE 404 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3kdp n PHE 404 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3kdp n PHE 404 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3kdp n ASP 405 N -0.11 0.00 0.00 5.98 2.03 -1.26 -4.94 116.55 118.25 3kdp n ASP 405 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3kdp n ASP 405 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3kdp n ASP 405 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3kdp n LYS 406 N -0.83 0.00 -0.23 -0.67 0.00 -1.26 -4.98 118.16 110.19 3kdp n LYS 406 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 3kdp n LYS 406 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.15 3kdp n LYS 406 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3kdp h THR 407 N 0.00 0.39 -4.06 3.15 1.35 -2.03 -3.41 112.91 108.30 3kdp h THR 407 Ca 0.00 -0.03 -0.51 0.00 -0.55 0.00 0.00 66.41 65.32 3kdp h THR 407 Cb 0.00 0.30 0.08 0.00 -1.73 0.00 0.00 68.15 66.79 3kdp h THR 407 CO 0.00 0.02 0.46 -0.55 -0.25 0.00 0.00 175.52 175.20 3kdp s SER 408 N -5.21 5.78 0.09 5.36 0.15 -1.26 -4.95 113.70 113.66 3kdp s SER 408 Ca -0.14 2.27 -0.15 0.00 0.70 0.00 0.00 55.95 58.63 3kdp s SER 408 Cb 0.21 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.81 3kdp s SER 408 CO 0.75 -1.18 1.37 0.00 1.20 0.00 0.00 173.24 175.37 3kdp h ALA 409 N 1.44 0.38 -0.92 5.45 0.00 -1.79 -3.11 119.26 120.71 3kdp h ALA 409 Ca -0.50 -0.46 0.38 0.00 0.00 0.00 0.00 54.91 54.33 3kdp h ALA 409 Cb 1.26 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 3kdp h ALA 409 CO 0.58 0.50 0.48 2.41 0.00 0.00 0.00 179.25 183.22 3kdp n THR 410 N -4.17 -0.39 0.42 0.00 -1.04 -1.26 0.86 114.28 108.70 3kdp n THR 410 Ca -0.05 1.88 -0.18 0.00 -2.04 0.00 0.00 64.05 63.67 3kdp n THR 410 Cb 0.55 -3.05 -0.09 0.00 -1.82 0.00 0.00 70.33 65.93 3kdp n THR 410 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3kdp h TRP 411 N 0.00 -0.99 -1.29 -1.42 2.91 -1.87 -0.72 115.95 112.57 3kdp h TRP 411 Ca 0.78 -0.02 0.37 0.00 1.13 0.00 0.00 58.89 61.15 3kdp h TRP 411 Cb 2.05 0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 30.98 3kdp h TRP 411 CO -0.02 -0.60 1.17 1.28 -1.03 0.00 0.00 178.44 179.23 3kdp n LEU 412 N -5.50 0.00 -0.09 0.65 4.77 0.25 -0.79 117.00 116.29 3kdp n LEU 412 Ca -0.14 0.76 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 3kdp n LEU 412 Cb 0.43 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3kdp n LEU 412 CO 0.35 -0.76 -0.24 0.00 -1.33 0.00 0.00 177.39 175.41 3kdp h ALA 413 N 0.65 0.18 -0.50 -1.18 0.00 -0.94 -3.03 119.26 114.44 3kdp h ALA 413 Ca 0.61 -0.99 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3kdp h ALA 413 Cb 2.94 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 21.21 3kdp h ALA 413 CO -0.01 0.50 0.12 1.25 0.00 0.00 0.00 179.25 181.12 3kdp h LEU 414 N -0.94 0.76 -0.65 0.00 5.85 0.40 -2.22 115.31 118.50 3kdp h LEU 414 Ca -0.24 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.38 3kdp h LEU 414 Cb 1.25 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.98 3kdp h LEU 414 CO -0.13 0.79 0.07 0.77 -0.34 0.00 0.00 178.44 179.60 3kdp h SER 415 N 0.69 -0.16 0.17 1.25 4.64 -1.12 -1.57 113.55 117.45 3kdp h SER 415 Ca 0.16 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.63 3kdp h SER 415 Cb 0.33 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3kdp h SER 415 CO 0.00 -0.08 -0.19 -0.09 -0.87 0.00 0.00 176.83 175.61 3kdp h ARG 416 N 0.18 -0.38 0.19 4.77 2.43 -1.31 -0.99 114.38 119.27 3kdp h ARG 416 Ca 0.35 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3kdp h ARG 416 Cb 0.57 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3kdp h ARG 416 CO -0.51 -0.25 -0.24 0.82 -1.51 0.00 0.00 179.97 178.28 3kdp h ILE 417 N -0.40 0.00 -0.97 1.20 2.04 -1.06 0.41 117.51 118.72 3kdp h ILE 417 Ca 0.01 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.11 3kdp h ILE 417 Cb 0.38 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 3kdp h ILE 417 CO -0.06 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.74 3kdp h ALA 418 N -1.28 2.38 0.13 1.87 0.00 -1.16 0.22 119.26 121.41 3kdp h ALA 418 Ca -0.02 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3kdp h ALA 418 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kdp h ALA 418 CO -0.06 -0.71 -1.67 0.78 0.00 0.00 0.00 179.25 177.60 3kdp h GLY 419 N 0.31 0.32 1.66 0.00 0.00 -1.07 -3.39 103.07 100.90 3kdp h GLY 419 Ca 0.51 -0.81 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 3kdp h GLY 419 CO -0.18 0.71 -0.93 -2.00 0.00 0.00 0.00 176.54 174.14 3kdp h LEU 420 N 0.08 0.39 -7.46 3.11 5.85 0.27 -3.39 115.31 114.16 3kdp h LEU 420 Ca -0.30 -0.32 -0.75 0.00 0.84 0.00 0.00 57.88 57.36 3kdp h LEU 420 Cb 2.04 -0.12 -0.32 0.00 0.37 0.00 0.00 40.66 42.63 3kdp h LEU 420 CO 0.15 1.13 0.11 0.00 -0.34 0.00 0.00 178.44 179.49 3kdp n ASN 422 N 2.64 0.00 -0.74 0.00 2.85 -1.26 -4.84 115.26 113.91 3kdp n ASN 422 Ca 0.21 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.75 3kdp n ASN 422 Cb 0.38 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.56 3kdp n ASN 422 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kdp n ARG 423 N -0.01 2.29 -2.59 1.20 1.74 -1.26 -4.98 116.66 113.05 3kdp n ARG 423 Ca 0.00 -1.95 -0.42 0.00 -0.77 0.00 0.00 57.85 54.71 3kdp n ARG 423 Cb 0.00 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3kdp n ARG 423 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdp s ALA 424 N -1.05 3.37 0.34 7.54 0.00 -1.26 -4.89 121.76 125.81 3kdp s ALA 424 Ca 0.26 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3kdp s ALA 424 Cb 0.14 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3kdp s ALA 424 CO 0.19 -0.53 0.28 1.33 0.00 0.00 0.00 175.76 177.03 3kdp n VAL 425 N 4.32 0.00 -3.94 0.00 0.24 -1.26 -4.99 118.33 112.70 3kdp n VAL 425 Ca 0.09 -1.32 -0.23 0.00 -2.04 0.00 0.00 64.34 60.84 3kdp n VAL 425 Cb 0.48 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.55 3kdp n VAL 425 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kdp s PHE 426 N -1.61 3.46 0.50 6.34 0.40 -1.26 -2.94 117.98 122.88 3kdp s PHE 426 Ca 0.22 0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.39 3kdp s PHE 426 Cb -0.02 -1.62 -0.08 0.00 0.51 0.00 0.00 43.02 41.82 3kdp s PHE 426 CO 0.14 0.46 1.06 -0.65 0.70 0.00 0.00 175.22 176.93 3kdp s GLN 427 N -3.71 3.68 0.69 0.44 -1.52 -0.24 -4.83 119.66 114.17 3kdp s GLN 427 Ca 0.34 1.43 -0.17 0.00 -1.95 0.00 0.00 55.36 55.02 3kdp s GLN 427 Cb -0.10 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.58 3kdp s GLN 427 CO 0.29 -0.54 0.71 0.00 -0.25 0.00 0.00 175.29 175.49 3kdp n ALA 428 N -1.05 -0.89 -3.14 6.09 0.00 -1.26 -4.12 120.51 116.15 3kdp n ALA 428 Ca 0.10 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3kdp n ALA 428 Cb 0.52 -1.96 0.01 0.00 0.00 0.00 0.00 19.45 18.03 3kdp n ALA 428 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdp n ASN 429 N -0.63 -7.06 0.00 0.00 3.02 -1.26 -4.94 115.26 104.40 3kdp n ASN 429 Ca 0.12 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3kdp n ASN 429 Cb 0.49 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 3kdp n ASN 429 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdp n GLN 430 N -0.81 0.00 0.21 3.52 6.02 -1.26 -4.88 117.38 120.18 3kdp n GLN 430 Ca 0.00 -0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 3kdp n GLN 430 Cb 0.54 -0.06 0.75 0.00 1.02 0.00 0.00 30.24 32.50 3kdp n GLN 430 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3kdp h GLU 431 N 0.00 0.00 0.46 -1.09 3.07 -1.92 -2.89 114.58 112.21 3kdp h GLU 431 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3kdp h GLU 431 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3kdp h GLU 431 CO 0.00 0.00 -0.22 -0.91 -1.40 0.00 0.00 179.01 176.48 3kdp h ASN 432 N 0.00 -0.52 -3.42 1.42 -0.26 -2.01 -3.46 115.58 107.32 3kdp h ASN 432 Ca 0.00 0.02 -0.45 0.00 -0.56 0.00 0.00 56.30 55.31 3kdp h ASN 432 Cb 0.04 0.13 0.20 0.00 -1.06 0.00 0.00 38.32 37.64 3kdp h ASN 432 CO 0.00 -0.33 0.05 -0.76 -1.06 0.00 0.00 177.43 175.33 3kdp s LEU 433 N -7.03 1.07 0.36 1.61 1.43 -1.09 -4.93 118.68 110.10 3kdp s LEU 433 Ca -0.09 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.25 3kdp s LEU 433 Cb 0.01 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3kdp s LEU 433 CO 0.27 -3.98 1.23 -2.84 0.23 0.00 0.00 176.35 171.26 3kdp s PRO 434 N -4.55 4.22 0.12 1.29 0.02 -1.26 -4.90 135.00 129.94 3kdp s PRO 434 Ca 0.68 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.56 3kdp s PRO 434 Cb -0.24 -2.89 0.06 0.00 0.02 0.00 0.00 34.50 31.45 3kdp s PRO 434 CO 0.63 -0.23 0.97 -0.89 -0.33 0.00 0.00 177.00 177.15 3kdp n ILE 435 N 0.48 -0.37 -0.02 2.83 2.08 -1.26 -1.22 119.36 121.87 3kdp n ILE 435 Ca 0.02 1.49 -0.09 0.00 0.56 0.00 0.00 62.75 64.73 3kdp n ILE 435 Cb 0.44 -1.92 -0.04 0.00 -0.75 0.00 0.00 39.64 37.38 3kdp n ILE 435 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3kdp h LEU 436 N 0.00 -0.03 -0.80 1.39 3.38 -1.92 -2.37 115.31 114.95 3kdp h LEU 436 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kdp h LEU 436 Cb 0.32 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kdp h LEU 436 CO -0.61 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.22 3kdp n LYS 437 N -5.11 0.78 -3.25 1.13 5.02 -0.36 -4.83 118.16 111.55 3kdp n LYS 437 Ca -0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 3kdp n LYS 437 Cb 0.08 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3kdp n LYS 437 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kdp s ARG 438 N -1.20 4.10 -0.30 1.97 0.52 -0.89 -4.86 118.95 118.29 3kdp s ARG 438 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 3kdp s ARG 438 Cb 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.54 3kdp s ARG 438 CO 0.00 0.45 1.30 0.00 0.02 0.00 0.00 175.30 177.08 3kdp s ALA 439 N -1.47 3.37 0.87 2.13 0.00 -1.26 -5.00 121.76 120.41 3kdp s ALA 439 Ca 0.39 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 3kdp s ALA 439 Cb -0.16 -3.77 0.14 0.00 0.00 0.00 0.00 23.12 19.33 3kdp s ALA 439 CO 0.20 -1.76 1.23 0.14 0.00 0.00 0.00 175.76 175.56 3kdp s VAL 440 N 4.36 2.03 -0.27 0.00 -7.23 -1.26 -1.08 120.40 116.95 3kdp s VAL 440 Ca 0.56 -0.07 0.18 0.00 -1.81 0.00 0.00 61.98 60.85 3kdp s VAL 440 Cb -0.17 -2.97 0.49 0.00 0.56 0.00 0.00 36.38 34.30 3kdp s VAL 440 CO 0.23 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 176.14 3kdp n ALA 441 N -3.48 3.28 -2.00 1.32 0.00 -1.15 -4.62 120.51 113.85 3kdp n ALA 441 Ca 0.12 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.51 3kdp n ALA 441 Cb 0.60 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3kdp n ALA 441 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 442 N -0.60 2.11 0.00 0.00 0.00 -1.26 -4.51 105.19 100.93 3kdp n GLY 442 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kdp n GLY 442 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 443 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.97 116.55 117.61 3kdp n ASP 443 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kdp n ASP 443 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kdp n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kdp n ALA 444 N -0.06 0.00 0.14 2.12 0.00 -1.26 -1.38 120.51 120.07 3kdp n ALA 444 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3kdp n ALA 444 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3kdp n ALA 444 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kdp h SER 445 N 0.00 -0.35 -0.71 0.00 0.02 -1.97 -2.58 113.55 107.95 3kdp h SER 445 Ca 0.00 -0.19 0.14 0.00 -0.84 0.00 0.00 61.79 60.90 3kdp h SER 445 Cb 0.00 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 62.49 3kdp h SER 445 CO 0.00 0.08 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.27 3kdp h GLU 446 N -0.86 0.00 0.09 3.45 4.39 -1.63 0.16 114.58 120.18 3kdp h GLU 446 Ca -0.04 -0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.40 3kdp h GLU 446 Cb 0.52 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3kdp h GLU 446 CO 0.07 0.00 -1.14 0.66 -1.16 0.00 0.00 179.01 177.44 3kdp h SER 447 N 0.00 0.41 -0.32 1.42 4.64 -1.50 -0.49 113.55 117.71 3kdp h SER 447 Ca 0.35 -0.41 0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3kdp h SER 447 Cb 0.53 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3kdp h SER 447 CO -0.73 1.28 0.28 0.00 -0.87 0.00 0.00 176.83 176.80 3kdp h ALA 448 N 0.66 2.10 0.11 5.18 0.00 -0.39 0.98 119.26 127.91 3kdp h ALA 448 Ca -0.11 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 3kdp h ALA 448 Cb 1.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3kdp h ALA 448 CO 0.19 -0.45 -1.56 -0.07 0.00 0.00 0.00 179.25 177.36 3kdp h LEU 449 N 0.00 0.37 -0.40 0.00 3.38 -0.43 -2.99 115.31 115.24 3kdp h LEU 449 Ca 0.15 -0.85 0.08 0.00 0.09 0.00 0.00 57.88 57.36 3kdp h LEU 449 Cb 0.71 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3kdp h LEU 449 CO -0.00 1.68 -0.20 0.25 0.09 0.00 0.00 178.44 180.25 3kdp h LEU 450 N -0.26 -0.70 -0.19 1.67 6.46 -0.30 -1.41 115.31 120.59 3kdp h LEU 450 Ca -0.34 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 3kdp h LEU 450 Cb 1.81 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 42.10 3kdp h LEU 450 CO 0.05 -0.24 0.06 0.11 -0.62 0.00 0.00 178.44 177.80 3kdp h LYS 451 N -0.13 0.30 -0.77 1.25 1.57 -0.97 -2.21 116.57 115.61 3kdp h LYS 451 Ca 0.19 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 3kdp h LYS 451 Cb 0.43 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 3kdp h LYS 451 CO -0.48 0.41 -0.20 0.00 -0.57 0.00 0.00 179.45 178.60 3kdp n ILE 453 N -5.51 0.00 0.00 0.00 2.08 -0.63 -2.40 119.36 112.90 3kdp n ILE 453 Ca 0.11 0.59 0.00 0.00 0.56 0.00 0.00 62.75 64.00 3kdp n ILE 453 Cb 0.39 -1.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 3kdp n ILE 453 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3kdp n GLU 454 N -0.35 0.00 -0.09 0.38 4.07 -0.85 0.19 120.64 123.99 3kdp n GLU 454 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 3kdp n GLU 454 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 3kdp n GLU 454 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3kdp h LEU 455 N 0.00 -1.00 -3.30 4.31 6.46 -1.37 -3.28 115.31 117.13 3kdp h LEU 455 Ca 0.00 0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 3kdp h LEU 455 Cb 0.00 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 3kdp h LEU 455 CO 0.00 -0.20 -0.01 0.00 -0.62 0.00 0.00 178.44 177.61 3kdp n GLY 458 N -0.69 -1.38 3.60 0.00 0.00 -1.24 -4.66 105.19 100.84 3kdp n GLY 458 Ca -0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 3kdp n GLY 458 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdp s SER 459 N -5.37 1.96 0.00 1.61 0.15 -1.26 -3.62 113.70 107.17 3kdp s SER 459 Ca 0.00 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.97 3kdp s SER 459 Cb 0.00 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 3kdp s SER 459 CO 0.00 -3.57 0.00 0.52 1.20 0.00 0.00 173.24 171.39 3kdp n VAL 460 N -4.48 0.00 -0.14 4.45 0.31 -1.26 -3.92 118.33 113.30 3kdp n VAL 460 Ca 0.04 0.00 0.27 0.00 -0.01 0.00 0.00 64.34 64.64 3kdp n VAL 460 Cb 0.56 -0.50 0.72 0.00 -0.91 0.00 0.00 33.84 33.71 3kdp n VAL 460 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kdp h LYS 461 N 0.00 0.00 0.00 5.55 1.79 -1.96 -2.71 116.57 119.24 3kdp h LYS 461 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kdp h LYS 461 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3kdp h LYS 461 CO 0.00 0.00 -0.19 0.93 -1.08 0.00 0.00 179.45 179.11 3kdp h GLU 462 N 0.00 0.00 0.00 3.15 5.08 -1.98 -3.37 114.58 117.45 3kdp h GLU 462 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3kdp h GLU 462 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 3kdp h GLU 462 CO -0.00 0.00 0.00 -0.12 -1.00 0.00 0.00 179.01 177.89 3kdp n MET 463 N -4.25 0.00 -2.59 2.33 1.56 -1.04 -0.64 117.12 112.49 3kdp n MET 463 Ca -0.03 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.30 3kdp n MET 463 Cb 0.10 -0.98 0.03 0.00 2.15 0.00 0.00 33.22 34.52 3kdp n MET 463 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3kdp n ARG 464 N -0.24 2.10 0.00 2.12 1.74 -1.14 -4.33 116.66 116.91 3kdp n ARG 464 Ca 0.00 -3.68 0.00 0.00 -0.77 0.00 0.00 57.85 53.40 3kdp n ARG 464 Cb 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3kdp n ARG 464 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kdp n GLU 465 N -0.42 1.76 0.00 5.56 1.02 0.19 -4.79 120.64 123.96 3kdp n GLU 465 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3kdp n GLU 465 Cb 0.81 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3kdp n GLU 465 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kdp n ARG 466 N -0.20 0.00 -2.95 3.49 1.74 -1.21 -3.90 116.66 113.63 3kdp n ARG 466 Ca 0.00 0.57 -0.44 0.00 -0.77 0.00 0.00 57.85 57.21 3kdp n ARG 466 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 3kdp n ARG 466 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kdp s TYR 467 N -2.98 3.21 0.23 -1.55 4.12 -1.26 -4.67 117.35 114.46 3kdp s TYR 467 Ca 0.00 -1.55 -0.30 0.00 0.02 0.00 0.00 57.07 55.25 3kdp s TYR 467 Cb 0.00 -4.27 -0.09 0.00 -1.52 0.00 0.00 41.96 36.08 3kdp s TYR 467 CO 0.00 -1.45 1.14 -0.08 0.02 0.00 0.00 175.55 175.18 3kdp s THR 468 N 2.39 3.55 0.03 -0.71 -1.32 -1.25 -4.70 115.64 113.62 3kdp s THR 468 Ca 0.34 1.43 -0.27 0.00 -1.21 0.00 0.00 61.69 61.98 3kdp s THR 468 Cb -0.05 -3.91 -0.05 0.00 -1.51 0.00 0.00 72.50 66.98 3kdp s THR 468 CO -0.08 0.29 0.83 -1.59 -2.21 0.00 0.00 174.62 171.86 3kdp s LYS 469 N -0.89 4.54 -0.25 7.08 -2.85 -1.26 -1.17 119.74 124.94 3kdp s LYS 469 Ca 0.48 1.17 -0.01 0.00 -1.00 0.00 0.00 55.97 56.62 3kdp s LYS 469 Cb -0.32 -3.39 -0.16 0.00 -2.06 0.00 0.00 37.83 31.90 3kdp s LYS 469 CO 0.39 0.18 -0.24 0.44 0.10 0.00 0.00 175.35 176.22 3kdp n ILE 470 N 3.12 1.44 -3.97 3.79 -5.35 -0.42 -4.96 119.36 113.00 3kdp n ILE 470 Ca 0.00 -0.52 -0.09 0.00 -0.27 0.00 0.00 62.75 61.87 3kdp n ILE 470 Cb 0.50 -1.46 -0.08 0.00 -1.74 0.00 0.00 39.64 36.86 3kdp n ILE 470 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kdp s VAL 471 N -2.50 0.11 0.15 7.28 0.11 -1.18 -5.04 120.40 119.33 3kdp s VAL 471 Ca -0.34 -1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 57.10 3kdp s VAL 471 Cb 0.10 -1.69 0.03 0.00 -1.53 0.00 0.00 36.38 33.28 3kdp s VAL 471 CO 0.56 -0.50 0.44 -1.83 -3.33 0.00 0.00 175.10 170.44 3kdp s GLU 472 N -3.94 1.19 -0.27 1.54 -1.05 -1.26 -1.76 118.70 113.14 3kdp s GLU 472 Ca 0.14 -0.80 -0.01 0.00 -0.15 0.00 0.00 54.97 54.15 3kdp s GLU 472 Cb 0.05 0.48 0.08 0.00 -0.44 0.00 0.00 34.13 34.30 3kdp s GLU 472 CO -0.04 -0.48 0.05 0.42 0.95 0.00 0.00 175.26 176.16 3kdp s ILE 473 N -3.84 1.03 0.73 1.83 1.01 0.11 -5.01 121.20 117.07 3kdp s ILE 473 Ca 0.06 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 3kdp s ILE 473 Cb 0.01 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.90 3kdp s ILE 473 CO -0.08 -0.43 1.07 -2.84 0.00 0.00 0.00 174.94 172.66 3kdp s PRO 474 N 1.58 2.61 -0.08 2.79 0.02 -1.26 -2.15 135.00 138.51 3kdp s PRO 474 Ca 0.04 0.92 -0.33 0.00 0.02 0.00 0.00 61.00 61.65 3kdp s PRO 474 Cb -0.18 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.28 3kdp s PRO 474 CO -0.16 -1.32 1.96 0.34 -0.33 0.00 0.00 177.00 177.49 3kdp n PHE 475 N -3.27 2.32 -4.75 6.54 -0.00 -1.26 -4.86 117.46 112.18 3kdp n PHE 475 Ca 0.08 -0.12 -0.33 0.00 -0.00 0.00 0.00 57.45 57.08 3kdp n PHE 475 Cb 0.54 -2.71 -0.13 0.00 -0.00 0.00 0.00 39.48 37.18 3kdp n PHE 475 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3kdp s ASN 476 N 4.74 4.18 0.47 -2.13 -0.87 -1.25 -5.02 114.94 115.06 3kdp s ASN 476 Ca 0.93 -0.24 0.18 0.00 -1.57 0.00 0.00 52.86 52.16 3kdp s ASN 476 Cb -0.59 -1.40 1.17 0.00 -0.02 0.00 0.00 41.25 40.41 3kdp s ASN 476 CO 0.47 0.23 1.98 -1.28 -2.57 0.00 0.00 177.10 175.94 3kdp h SER 477 N 6.21 0.23 0.95 -1.22 0.87 -1.94 -1.39 113.55 117.27 3kdp h SER 477 Ca -0.34 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.18 3kdp h SER 477 Cb 1.19 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3kdp h SER 477 CO 0.55 0.13 -0.46 0.71 -0.53 0.00 0.00 176.83 177.23 3kdp h THR 478 N 0.25 0.06 -0.00 2.23 1.35 -1.99 -3.31 112.91 111.50 3kdp h THR 478 Ca 0.27 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3kdp h THR 478 Cb 0.72 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 3kdp h THR 478 CO -0.06 0.00 -0.36 -0.46 -0.25 0.00 0.00 175.52 174.40 3kdp n ASN 479 N -5.64 0.54 -0.96 5.36 0.23 -0.87 -4.95 115.26 108.98 3kdp n ASN 479 Ca -0.16 -0.31 -0.10 0.00 -0.53 0.00 0.00 54.58 53.47 3kdp n ASN 479 Cb 0.51 0.11 -0.04 0.00 -2.08 0.00 0.00 39.78 38.27 3kdp n ASN 479 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3kdp n LYS 480 N -1.29 -1.56 -4.46 -3.83 3.00 -0.58 -4.93 118.16 104.52 3kdp n LYS 480 Ca 0.08 0.72 -0.22 0.00 -0.00 0.00 0.00 58.31 58.88 3kdp n LYS 480 Cb 0.33 -4.89 -0.10 0.00 0.00 0.00 0.00 35.03 30.36 3kdp n LYS 480 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 3kdp s TYR 481 N -1.77 2.06 -0.03 5.64 -0.85 -1.26 -2.22 117.35 118.92 3kdp s TYR 481 Ca 0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 57.07 55.80 3kdp s TYR 481 Cb 0.00 -1.23 0.01 0.00 0.38 0.00 0.00 41.96 41.12 3kdp s TYR 481 CO 0.00 0.30 0.11 -1.14 -1.52 0.00 0.00 175.55 173.30 3kdp s GLN 482 N -3.73 0.18 -0.03 -3.49 0.74 -0.13 -3.85 119.66 109.34 3kdp s GLN 482 Ca 0.31 0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.59 3kdp s GLN 482 Cb 0.05 0.08 0.04 0.00 1.10 0.00 0.00 33.01 34.28 3kdp s GLN 482 CO 0.14 -0.03 0.41 -0.48 -0.55 0.00 0.00 175.29 174.78 3kdp s LEU 483 N -0.19 0.44 0.01 3.68 0.05 -0.92 -1.54 118.68 120.22 3kdp s LEU 483 Ca -0.03 0.30 0.02 0.00 0.05 0.00 0.00 54.13 54.47 3kdp s LEU 483 Cb -0.02 1.60 -0.01 0.00 -2.05 0.00 0.00 46.19 45.71 3kdp s LEU 483 CO 0.00 -0.47 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.84 3kdp s SER 484 N -1.18 0.67 -0.14 1.48 0.01 -0.38 -0.71 113.70 113.44 3kdp s SER 484 Ca -0.12 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 3kdp s SER 484 Cb -0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 3kdp s SER 484 CO 0.05 -0.02 0.02 -0.63 0.41 0.00 0.00 173.24 173.08 3kdp s ILE 485 N -0.49 4.42 0.06 1.44 1.01 -0.72 -1.27 121.20 125.66 3kdp s ILE 485 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3kdp s ILE 485 Cb -0.04 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3kdp s ILE 485 CO -0.00 0.52 -0.16 -1.00 0.00 0.00 0.00 174.94 174.30 3kdp s HIS 486 N -0.11 1.38 -0.93 3.97 3.76 0.89 -1.30 115.29 122.95 3kdp s HIS 486 Ca 0.05 -0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 54.31 3kdp s HIS 486 Cb -0.12 -0.79 0.05 0.00 1.11 0.00 0.00 32.58 32.83 3kdp s HIS 486 CO 0.02 0.08 1.38 0.15 -0.85 0.00 0.00 174.74 175.52 3kdp s LYS 487 N -1.53 3.47 0.33 1.40 1.02 -0.31 0.09 119.74 124.20 3kdp s LYS 487 Ca 0.01 -0.88 -0.28 0.00 0.02 0.00 0.00 55.97 54.85 3kdp s LYS 487 Cb -0.09 -4.99 -0.13 0.00 -0.52 0.00 0.00 37.83 32.10 3kdp s LYS 487 CO 0.02 -2.18 1.13 -1.71 -0.92 0.00 0.00 175.35 171.70 3kdp n ASN 488 N 8.95 1.93 -0.24 2.83 2.85 -1.26 -3.94 115.26 126.39 3kdp n ASN 488 Ca 0.23 1.17 0.02 0.00 -0.11 0.00 0.00 54.58 55.90 3kdp n ASN 488 Cb 0.50 -1.38 0.05 0.00 1.24 0.00 0.00 39.78 40.19 3kdp n ASN 488 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kdp n PRO 489 N 0.57 2.14 -1.07 1.20 -0.04 -1.26 -4.19 135.00 132.35 3kdp n PRO 489 Ca 0.07 -1.49 -0.36 0.00 -0.04 0.00 0.00 63.50 61.68 3kdp n PRO 489 Cb 0.35 -1.10 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 3kdp n PRO 489 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kdp n ASN 490 N -0.01 -4.58 0.00 3.54 4.13 -1.26 -4.76 115.26 112.32 3kdp n ASN 490 Ca 0.04 0.35 0.08 0.00 1.68 0.00 0.00 54.58 56.74 3kdp n ASN 490 Cb 0.27 -0.87 0.49 0.00 -1.54 0.00 0.00 39.78 38.13 3kdp n ASN 490 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 3kdp n THR 491 N -2.35 0.00 0.00 3.41 5.66 -1.26 -4.27 114.28 115.47 3kdp n THR 491 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3kdp n THR 491 Cb 0.53 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 3kdp n THR 491 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kdp n ALA 492 N -0.91 0.00 0.00 1.79 0.00 -1.26 -5.07 120.51 115.06 3kdp n ALA 492 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kdp n ALA 492 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3kdp n ALA 492 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kdp n GLU 493 N 0.00 0.00 0.00 0.00 2.13 -1.26 -5.05 120.64 116.46 3kdp n GLU 493 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kdp n GLU 493 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kdp n GLU 493 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kdp n PRO 494 N -0.03 0.00 -1.88 5.31 -0.02 -1.26 -4.89 135.00 132.24 3kdp n PRO 494 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3kdp n PRO 494 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3kdp n PRO 494 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kdp n ARG 495 N -1.27 -2.00 0.00 -0.52 1.74 -1.26 -4.72 116.66 108.63 3kdp n ARG 495 Ca 0.00 1.42 0.00 0.00 -0.77 0.00 0.00 57.85 58.50 3kdp n ARG 495 Cb 0.04 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3kdp n ARG 495 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kdp n HIS 496 N 1.78 0.00 -3.87 -1.55 8.25 -1.17 -4.78 115.22 113.88 3kdp n HIS 496 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3kdp n HIS 496 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3kdp n HIS 496 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kdp s LEU 497 N 0.00 3.59 -0.23 2.41 2.96 0.11 -2.15 118.68 125.38 3kdp s LEU 497 Ca 0.00 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 3kdp s LEU 497 Cb 0.00 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3kdp s LEU 497 CO 0.00 0.04 0.11 -0.22 -1.32 0.00 0.00 176.35 174.96 3kdp s LEU 498 N 1.14 3.81 -0.06 -0.68 2.96 -0.33 -0.08 118.68 125.46 3kdp s LEU 498 Ca 0.04 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3kdp s LEU 498 Cb -0.14 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.54 3kdp s LEU 498 CO 0.03 0.05 -0.18 0.68 -1.32 0.00 0.00 176.35 175.62 3kdp s VAL 499 N 1.10 1.54 -0.01 1.68 -7.23 -0.40 0.40 120.40 117.49 3kdp s VAL 499 Ca 0.06 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 3kdp s VAL 499 Cb -0.14 -1.33 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 3kdp s VAL 499 CO 0.04 0.44 0.09 0.00 -0.31 0.00 0.00 175.10 175.36 3kdp s MET 500 N 0.20 0.35 0.42 4.82 0.23 0.16 -1.25 119.30 124.22 3kdp s MET 500 Ca -0.09 -0.30 0.04 0.00 -1.03 0.00 0.00 55.69 54.32 3kdp s MET 500 Cb -0.14 0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.26 3kdp s MET 500 CO 0.04 -0.07 0.04 -1.59 -2.03 0.00 0.00 175.02 171.41 3kdp s LYS 501 N -1.01 1.95 0.00 3.16 -2.85 -0.59 -0.28 119.74 120.13 3kdp s LYS 501 Ca -0.11 -2.17 0.00 0.00 -1.00 0.00 0.00 55.97 52.69 3kdp s LYS 501 Cb -0.06 -1.23 0.00 0.00 -2.06 0.00 0.00 37.83 34.48 3kdp s LYS 501 CO 0.01 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.61 3kdp n GLY 502 N -0.98 -1.42 3.38 0.59 0.00 -0.07 -0.95 105.19 105.74 3kdp n GLY 502 Ca -0.09 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3kdp n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp n ALA 503 N 0.00 -2.04 -0.03 4.61 0.00 -0.94 0.12 120.51 122.23 3kdp n ALA 503 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 3kdp n ALA 503 Cb 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 3kdp n ALA 503 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kdp h PRO 504 N 0.38 0.00 -1.26 0.00 0.11 -1.87 -3.08 132.00 126.29 3kdp h PRO 504 Ca -0.41 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.06 3kdp h PRO 504 Cb 1.42 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.48 3kdp h PRO 504 CO 0.47 0.00 1.00 1.05 -0.21 0.00 0.00 178.00 180.31 3kdp h GLU 505 N -0.54 0.00 -0.65 1.05 9.09 -1.96 2.19 114.58 123.76 3kdp h GLU 505 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.15 3kdp h GLU 505 Cb 0.11 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 27.05 3kdp h GLU 505 CO 0.00 0.00 0.25 -2.13 0.05 0.00 0.00 179.01 177.18 3kdp n ARG 506 N -3.91 2.75 -0.10 1.06 0.63 -1.26 -3.99 116.66 111.84 3kdp n ARG 506 Ca 0.27 -3.07 0.03 0.00 -0.92 0.00 0.00 57.85 54.17 3kdp n ARG 506 Cb 1.40 -2.06 0.05 0.00 0.45 0.00 0.00 32.46 32.30 3kdp n ARG 506 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3kdp n ILE 507 N -0.72 0.97 -0.10 5.15 3.06 0.74 -4.63 119.36 123.83 3kdp n ILE 507 Ca 0.42 -1.10 -0.16 0.00 -2.50 0.00 0.00 62.75 59.41 3kdp n ILE 507 Cb 1.31 0.34 -0.13 0.00 0.54 0.00 0.00 39.64 41.70 3kdp n ILE 507 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3kdp n LEU 508 N -0.65 2.07 0.00 9.51 4.77 -1.18 -4.02 117.00 127.51 3kdp n LEU 508 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3kdp n LEU 508 Cb 0.48 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kdp n LEU 508 CO 0.00 0.79 0.12 0.47 -1.33 0.00 0.00 177.39 177.45 3kdp n ASP 509 N -3.15 0.00 -0.18 -1.43 9.92 -1.26 0.15 116.55 120.61 3kdp n ASP 509 Ca -0.40 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 53.89 3kdp n ASP 509 Cb 1.04 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.55 3kdp n ASP 509 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kdp n ARG 510 N -0.72 0.80 -4.15 -1.24 1.74 -1.26 -4.95 116.66 106.89 3kdp n ARG 510 Ca 0.00 -1.28 -0.17 0.00 -0.77 0.00 0.00 57.85 55.63 3kdp n ARG 510 Cb 0.00 -0.80 -0.12 0.00 -1.02 0.00 0.00 32.46 30.52 3kdp n ARG 510 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdp n SER 512 N 1.37 0.22 -3.88 0.00 3.41 -0.94 -4.62 113.62 109.17 3kdp n SER 512 Ca -0.21 -0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 57.33 3kdp n SER 512 Cb 0.54 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 3kdp n SER 512 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kdp s SER 513 N -0.01 0.12 -0.34 4.04 1.04 -1.23 -1.26 113.70 116.06 3kdp s SER 513 Ca 0.00 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 3kdp s SER 513 Cb 0.00 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.52 3kdp s SER 513 CO 0.00 -0.60 0.15 -0.63 0.98 0.00 0.00 173.24 173.14 3kdp s ILE 514 N -3.07 0.64 0.08 -1.02 1.01 -1.07 0.11 121.20 117.88 3kdp s ILE 514 Ca -0.01 -1.55 -0.36 0.00 0.00 0.00 0.00 60.65 58.73 3kdp s ILE 514 Cb 0.01 -1.48 -0.18 0.00 0.01 0.00 0.00 42.46 40.82 3kdp s ILE 514 CO -0.07 -0.79 1.05 -0.11 0.00 0.00 0.00 174.94 175.02 3kdp n LEU 515 N 4.53 0.37 -3.57 2.97 0.00 -1.09 -3.88 117.00 116.33 3kdp n LEU 515 Ca 0.02 1.15 -0.24 0.00 0.00 0.00 0.00 56.01 56.93 3kdp n LEU 515 Cb 0.40 -1.03 -0.16 0.00 0.00 0.00 0.00 43.42 42.63 3kdp n LEU 515 CO 0.13 -1.82 -0.29 -0.63 0.00 0.00 0.00 177.39 174.78 3kdp s ILE 516 N -0.11 -0.16 0.00 1.96 1.01 -0.96 -4.59 121.20 118.35 3kdp s ILE 516 Ca 0.82 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3kdp s ILE 516 Cb -1.08 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3kdp s ILE 516 CO 0.54 -0.31 0.00 1.41 0.00 0.00 0.00 174.94 176.59 3kdp n HIS 517 N 5.29 0.00 0.00 3.97 8.25 -1.26 -1.78 115.22 129.68 3kdp n HIS 517 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3kdp n HIS 517 Cb 0.48 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3kdp n HIS 517 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdp n GLY 518 N -1.57 0.11 3.17 -1.41 0.00 -1.26 -3.22 105.19 101.02 3kdp n GLY 518 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kdp n GLY 518 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdp s LYS 519 N 0.00 3.06 0.94 1.61 -0.14 -0.74 -4.97 119.74 119.50 3kdp s LYS 519 Ca 0.00 -0.80 -0.13 0.00 -1.36 0.00 0.00 55.97 53.68 3kdp s LYS 519 Cb 0.00 -2.72 0.04 0.00 -1.68 0.00 0.00 37.83 33.47 3kdp s LYS 519 CO 0.00 -0.23 0.47 0.39 -0.76 0.00 0.00 175.35 175.22 3kdp n GLU 520 N 4.66 -0.29 -3.91 1.68 1.02 -1.26 -2.27 120.64 120.28 3kdp n GLU 520 Ca -0.20 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.80 3kdp n GLU 520 Cb 0.50 -1.90 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3kdp n GLU 520 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kdp s GLN 521 N -3.70 2.05 0.31 3.49 -0.21 -1.25 -4.85 119.66 115.49 3kdp s GLN 521 Ca 0.58 -1.47 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 3kdp s GLN 521 Cb -0.22 0.56 -0.09 0.00 1.00 0.00 0.00 33.01 34.26 3kdp s GLN 521 CO 0.66 -0.92 0.98 -1.25 -2.12 0.00 0.00 175.29 172.65 3kdp s PRO 522 N -2.81 4.60 -1.49 2.91 0.04 -1.26 -2.58 135.00 134.40 3kdp s PRO 522 Ca 0.20 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3kdp s PRO 522 Cb -0.04 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.58 3kdp s PRO 522 CO 0.13 0.26 2.47 -0.11 0.04 0.00 0.00 177.00 179.79 3kdp n LEU 523 N 0.79 7.65 0.00 -3.56 0.00 -0.39 -4.59 117.00 116.90 3kdp n LEU 523 Ca 0.01 -4.36 0.00 0.00 0.00 0.00 0.00 56.01 51.66 3kdp n LEU 523 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.33 3kdp n LEU 523 CO 0.47 1.58 0.00 -0.90 0.00 0.00 0.00 177.39 178.55 3kdp n ASP 524 N 4.51 0.00 -0.04 1.96 5.75 -1.26 -4.79 116.55 122.67 3kdp n ASP 524 Ca 0.61 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 55.41 3kdp n ASP 524 Cb 0.32 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.25 3kdp n ASP 524 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kdp n GLU 525 N 0.00 0.67 0.18 0.11 -0.58 -1.26 -3.49 120.64 116.26 3kdp n GLU 525 Ca 0.00 -0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.50 3kdp n GLU 525 Cb 0.00 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.24 3kdp n GLU 525 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3kdp h GLU 526 N 0.00 -0.74 -0.21 3.49 4.57 -1.98 -2.61 114.58 117.11 3kdp h GLU 526 Ca -0.23 0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.81 3kdp h GLU 526 Cb 1.54 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.30 3kdp h GLU 526 CO 0.02 -0.49 -0.62 -0.07 -1.18 0.00 0.00 179.01 176.66 3kdp h LEU 527 N -0.77 0.83 -1.00 1.64 3.38 -1.94 -2.45 115.31 115.00 3kdp h LEU 527 Ca -0.01 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3kdp h LEU 527 Cb 0.74 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3kdp h LEU 527 CO -0.18 1.25 0.65 0.50 0.09 0.00 0.00 178.44 180.75 3kdp h LYS 528 N 0.54 1.11 -0.21 1.13 3.64 -1.58 0.96 116.57 122.16 3kdp h LYS 528 Ca -0.01 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 3kdp h LYS 528 Cb 1.21 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3kdp h LYS 528 CO 0.13 0.73 -0.63 -0.44 -2.27 0.00 0.00 179.45 176.97 3kdp h ASP 529 N 1.14 0.85 1.93 4.20 5.19 -1.42 -2.72 116.42 125.60 3kdp h ASP 529 Ca 0.45 -0.49 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3kdp h ASP 529 Cb 0.23 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 3kdp h ASP 529 CO -0.19 1.27 -0.03 0.00 -3.12 0.00 0.00 179.24 177.17 3kdp h ALA 530 N 0.73 0.98 -0.04 3.45 0.00 -0.71 0.21 119.26 123.88 3kdp h ALA 530 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3kdp h ALA 530 Cb 1.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kdp h ALA 530 CO 0.13 0.03 -0.45 0.35 0.00 0.00 0.00 179.25 179.32 3kdp h PHE 531 N 0.00 0.52 0.00 0.00 3.04 0.87 -2.21 116.94 119.16 3kdp h PHE 531 Ca -0.00 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.67 3kdp h PHE 531 Cb 1.00 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 3kdp h PHE 531 CO 0.00 1.04 -0.08 1.96 -2.02 0.00 0.00 178.31 179.21 3kdp h GLN 532 N -0.15 0.00 0.00 1.11 1.08 -1.42 0.28 115.11 116.00 3kdp h GLN 532 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3kdp h GLN 532 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3kdp h GLN 532 CO 0.09 0.08 0.00 -1.71 -0.95 0.00 0.00 178.83 176.34 3kdp n ASN 533 N -3.28 0.37 -0.01 1.46 4.05 0.72 -2.96 115.26 115.60 3kdp n ASN 533 Ca -0.00 0.55 0.00 0.00 0.45 0.00 0.00 54.58 55.58 3kdp n ASN 533 Cb 0.30 -0.65 -0.04 0.00 1.23 0.00 0.00 39.78 40.62 3kdp n ASN 533 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kdp n ALA 534 N -1.64 2.06 0.09 5.20 0.00 -0.65 -4.02 120.51 121.55 3kdp n ALA 534 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.26 3kdp n ALA 534 Cb 0.31 -0.05 0.36 0.00 0.00 0.00 0.00 19.45 20.07 3kdp n ALA 534 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3kdp h TYR 535 N 0.00 0.32 0.16 0.00 3.20 -1.02 0.57 116.97 120.21 3kdp h TYR 535 Ca -0.07 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3kdp h TYR 535 Cb 0.76 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3kdp h TYR 535 CO 0.00 0.43 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.80 3kdp h LEU 536 N 0.29 -0.19 -0.98 2.82 3.38 -1.75 -2.87 115.31 116.01 3kdp h LEU 536 Ca 0.06 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.17 3kdp h LEU 536 Cb 0.39 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.04 3kdp h LEU 536 CO 0.02 0.03 -0.43 1.21 0.09 0.00 0.00 178.44 179.36 3kdp n GLU 537 N -3.48 -0.28 0.14 1.13 2.13 -1.22 -0.51 120.64 118.55 3kdp n GLU 537 Ca -0.03 1.50 -0.13 0.00 0.66 0.00 0.00 57.16 59.16 3kdp n GLU 537 Cb 0.09 -2.22 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 3kdp n GLU 537 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3kdp h LEU 538 N 0.00 -0.61 -0.04 4.31 7.12 -1.00 -2.82 115.31 122.28 3kdp h LEU 538 Ca 0.29 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.37 3kdp h LEU 538 Cb 0.54 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 3kdp h LEU 538 CO -0.96 -0.32 0.00 0.61 -0.13 0.00 0.00 178.44 177.64 3kdp n GLY 539 N -1.35 -1.59 0.00 3.75 0.00 -0.90 -2.02 105.19 103.08 3kdp n GLY 539 Ca -0.08 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.95 3kdp n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdp n GLY 540 N 1.26 -0.47 1.49 -0.02 0.00 0.33 -0.58 105.19 107.20 3kdp n GLY 540 Ca 0.06 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3kdp n GLY 540 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdp n LEU 541 N -1.13 4.52 -2.37 0.99 4.32 -0.86 -4.93 117.00 117.55 3kdp n LEU 541 Ca 0.07 -2.35 -0.14 0.00 -0.02 0.00 0.00 56.01 53.57 3kdp n LEU 541 Cb 0.06 -0.55 0.05 0.00 -1.62 0.00 0.00 43.42 41.36 3kdp n LEU 541 CO 0.07 0.85 0.14 0.61 -1.22 0.00 0.00 177.39 177.84 3kdp n GLY 542 N 1.18 0.05 3.57 -0.72 0.00 0.25 -4.86 105.19 104.65 3kdp n GLY 542 Ca 0.25 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3kdp n GLY 542 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdp s GLU 543 N -5.72 2.56 0.04 1.61 2.02 -1.23 -4.86 118.70 113.12 3kdp s GLU 543 Ca 0.33 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 3kdp s GLU 543 Cb -0.14 -2.49 -0.06 0.00 0.10 0.00 0.00 34.13 31.54 3kdp s GLU 543 CO 0.44 0.61 1.33 0.50 0.02 0.00 0.00 175.26 178.16 3kdp s ARG 544 N -1.21 4.33 -0.08 1.61 3.52 -0.87 -4.61 118.95 121.63 3kdp s ARG 544 Ca 0.15 1.92 0.03 0.00 -0.13 0.00 0.00 55.73 57.70 3kdp s ARG 544 Cb -0.11 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3kdp s ARG 544 CO 0.05 -0.46 -0.19 0.08 -0.81 0.00 0.00 175.30 173.97 3kdp s VAL 545 N 1.76 2.55 0.22 7.11 1.01 -1.26 -0.81 120.40 130.98 3kdp s VAL 545 Ca 0.62 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.84 3kdp s VAL 545 Cb -0.32 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3kdp s VAL 545 CO 0.28 0.56 -0.17 -0.76 0.00 0.00 0.00 175.10 175.01 3kdp s LEU 546 N -0.04 2.70 -0.13 3.92 1.43 0.51 -4.56 118.68 122.52 3kdp s LEU 546 Ca -0.05 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.20 3kdp s LEU 546 Cb -0.14 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3kdp s LEU 546 CO 0.05 0.08 -0.01 -0.83 0.23 0.00 0.00 176.35 175.87 3kdp s GLY 547 N -3.07 1.80 -0.10 -3.19 0.00 0.12 -2.41 107.32 100.48 3kdp s GLY 547 Ca 0.26 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 44.20 3kdp s GLY 547 CO 0.14 -0.28 -0.19 -1.36 0.00 0.00 0.00 173.10 171.41 3kdp s PHE 548 N -0.19 2.18 0.02 1.90 0.40 -0.72 -0.89 117.98 120.68 3kdp s PHE 548 Ca 0.05 -0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 55.32 3kdp s PHE 548 Cb -0.13 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.92 3kdp s PHE 548 CO 0.02 -0.41 0.31 0.00 0.70 0.00 0.00 175.22 175.84 3kdp s HIS 550 N -2.01 1.21 -0.09 0.00 -3.43 -0.23 0.35 115.29 111.10 3kdp s HIS 550 Ca -0.09 -1.39 -0.05 0.00 -0.80 0.00 0.00 55.06 52.73 3kdp s HIS 550 Cb -0.03 -0.54 0.04 0.00 -1.43 0.00 0.00 32.58 30.63 3kdp s HIS 550 CO 0.00 -0.70 0.22 -1.17 -2.00 0.00 0.00 174.74 171.08 3kdp s LEU 551 N -3.19 0.52 -0.40 5.38 2.96 0.16 0.15 118.68 124.26 3kdp s LEU 551 Ca 0.38 0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 54.52 3kdp s LEU 551 Cb 0.06 0.63 0.02 0.00 0.50 0.00 0.00 46.19 47.40 3kdp s LEU 551 CO 0.15 -0.16 0.79 -0.36 -1.32 0.00 0.00 176.35 175.44 3kdp s PHE 552 N 1.20 3.05 -0.26 5.38 0.08 -1.26 -1.18 117.98 124.99 3kdp s PHE 552 Ca -0.09 0.37 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 3kdp s PHE 552 Cb -0.10 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.80 3kdp s PHE 552 CO -0.08 -0.85 1.56 -0.51 -0.10 0.00 0.00 175.22 175.24 3kdp s LEU 553 N 3.20 3.83 -0.03 -0.37 1.43 -0.91 -4.86 118.68 120.97 3kdp s LEU 553 Ca 0.31 1.45 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 3kdp s LEU 553 Cb -0.13 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 3kdp s LEU 553 CO 0.20 -1.28 0.39 -2.65 0.23 0.00 0.00 176.35 173.24 3kdp n PRO 554 N 7.69 0.00 -0.06 1.29 -0.02 -1.26 -4.82 135.00 137.83 3kdp n PRO 554 Ca 0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.55 3kdp n PRO 554 Cb 0.46 -0.49 -0.05 0.00 -0.02 0.00 0.00 33.50 33.40 3kdp n PRO 554 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3kdp h ASP 555 N 1.12 0.28 0.00 2.55 1.82 -1.85 -3.22 116.42 117.12 3kdp h ASP 555 Ca -0.16 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 3kdp h ASP 555 Cb 0.47 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.40 3kdp h ASP 555 CO 0.24 0.41 0.00 -0.62 -1.61 0.00 0.00 179.24 177.65 3kdp n GLU 556 N -4.80 0.00 0.19 0.28 4.71 -1.26 -3.08 120.64 116.67 3kdp n GLU 556 Ca -0.04 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 3kdp n GLU 556 Cb 0.15 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3kdp n GLU 556 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3kdp n GLN 557 N -1.66 0.02 -3.37 3.49 6.02 -1.24 -3.50 117.38 117.14 3kdp n GLN 557 Ca 0.00 0.54 -0.11 0.00 -0.01 0.00 0.00 57.00 57.42 3kdp n GLN 557 Cb 0.00 -1.82 -0.09 0.00 1.02 0.00 0.00 30.24 29.35 3kdp n GLN 557 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kdp s PHE 558 N -2.82 -0.74 0.28 1.08 0.08 -1.18 -5.07 117.98 109.61 3kdp s PHE 558 Ca 0.00 0.60 0.02 0.00 0.12 0.00 0.00 56.93 57.67 3kdp s PHE 558 Cb 0.00 -0.09 0.05 0.00 -0.57 0.00 0.00 43.02 42.41 3kdp s PHE 558 CO 0.00 -0.75 0.39 -2.30 -0.10 0.00 0.00 175.22 172.45 3kdp n PRO 559 N 5.35 0.52 -2.19 0.24 -0.02 -1.23 -4.74 135.00 132.93 3kdp n PRO 559 Ca -0.03 -1.21 -0.35 0.00 -2.02 0.00 0.00 63.50 59.89 3kdp n PRO 559 Cb 0.50 -0.21 -0.04 0.00 -0.02 0.00 0.00 33.50 33.73 3kdp n PRO 559 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kdp s GLU 560 N -3.36 2.82 0.00 -0.52 2.12 -1.26 -2.12 118.70 116.38 3kdp s GLU 560 Ca 0.27 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.51 3kdp s GLU 560 Cb -0.02 -4.74 0.00 0.00 0.26 0.00 0.00 34.13 29.63 3kdp s GLU 560 CO 0.18 -2.81 0.00 0.41 -0.54 0.00 0.00 175.26 172.50 3kdp n GLY 561 N 6.25 0.67 2.87 -1.50 0.00 -1.26 -5.12 105.19 107.09 3kdp n GLY 561 Ca 0.27 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.81 3kdp n GLY 561 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kdp n PHE 562 N 0.00 0.44 -3.06 1.61 -0.00 -0.90 -4.83 117.46 110.72 3kdp n PHE 562 Ca 0.00 0.86 -0.44 0.00 -0.00 0.00 0.00 57.45 57.87 3kdp n PHE 562 Cb 0.00 -1.71 -0.01 0.00 -0.00 0.00 0.00 39.48 37.77 3kdp n PHE 562 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3kdp s GLN 563 N -0.07 4.01 0.45 -4.13 -1.52 -1.26 -5.02 119.66 112.12 3kdp s GLN 563 Ca 0.73 -2.60 -0.25 0.00 -1.95 0.00 0.00 55.36 51.28 3kdp s GLN 563 Cb -1.02 -4.88 -0.09 0.00 -0.22 0.00 0.00 33.01 26.81 3kdp s GLN 563 CO 0.47 -1.61 1.39 1.19 -0.25 0.00 0.00 175.29 176.47 3kdp n PHE 564 N 4.97 2.53 -4.40 0.91 3.01 -1.26 -5.00 117.46 118.22 3kdp n PHE 564 Ca 0.30 0.45 -0.26 0.00 1.01 0.00 0.00 57.45 58.96 3kdp n PHE 564 Cb 0.43 -2.43 -0.12 0.00 -0.01 0.00 0.00 39.48 37.35 3kdp n PHE 564 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3kdp s ASP 565 N -0.50 3.26 0.00 4.37 2.15 -1.26 -5.03 116.67 119.66 3kdp s ASP 565 Ca 0.61 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.74 3kdp s ASP 565 Cb -0.46 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 3kdp s ASP 565 CO 0.57 0.10 0.86 0.35 -0.17 0.00 0.00 175.17 176.88 3kdp n THR 566 N 0.35 0.72 0.00 1.71 -2.24 -1.26 -4.32 114.28 109.24 3kdp n THR 566 Ca -0.13 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3kdp n THR 566 Cb 0.56 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3kdp n THR 566 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kdp n ASP 567 N -0.36 0.00 -4.67 3.42 8.00 -1.26 -4.75 116.55 116.93 3kdp n ASP 567 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 3kdp n ASP 567 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3kdp n ASP 567 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kdp n ASP 568 N -0.56 4.09 -3.55 -2.24 8.00 -1.26 -4.96 116.55 116.07 3kdp n ASP 568 Ca 0.00 0.92 -0.28 0.00 0.71 0.00 0.00 54.79 56.15 3kdp n ASP 568 Cb 0.00 -1.52 0.26 0.00 -0.02 0.00 0.00 41.12 39.84 3kdp n ASP 568 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kdp n VAL 569 N 5.35 0.00 0.00 2.53 0.31 -1.26 -4.53 118.33 120.73 3kdp n VAL 569 Ca 0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3kdp n VAL 569 Cb 0.39 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3kdp n VAL 569 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3kdp n ASN 570 N -4.62 0.00 -4.49 4.52 2.85 -1.26 -4.87 115.26 107.40 3kdp n ASN 570 Ca 0.10 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.33 3kdp n ASN 570 Cb 0.54 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.46 3kdp n ASN 570 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 3kdp s PHE 571 N -0.71 2.15 0.78 1.20 -0.12 -1.26 -4.97 117.98 115.05 3kdp s PHE 571 Ca 0.00 -0.67 -0.13 0.00 -0.05 0.00 0.00 56.93 56.07 3kdp s PHE 571 Cb 0.00 -1.29 0.07 0.00 -0.63 0.00 0.00 43.02 41.17 3kdp s PHE 571 CO 0.00 0.35 1.19 -2.14 -0.05 0.00 0.00 175.22 174.57 3kdp s PRO 572 N -3.71 1.85 -0.01 1.99 0.02 -1.26 -4.96 135.00 128.91 3kdp s PRO 572 Ca 0.32 1.67 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3kdp s PRO 572 Cb 0.05 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.79 3kdp s PRO 572 CO 0.14 -2.04 0.96 1.28 -0.33 0.00 0.00 177.00 177.01 3kdp n LEU 573 N -3.17 0.29 -4.26 -5.54 4.77 -1.26 -5.08 117.00 102.75 3kdp n LEU 573 Ca 0.13 -1.13 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 3kdp n LEU 573 Cb 0.51 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 3kdp n LEU 573 CO 0.48 0.28 -0.33 -1.81 -1.33 0.00 0.00 177.39 174.68 3kdp s ASP 574 N -1.09 1.34 -0.75 -1.43 1.11 -1.26 -4.72 116.67 109.87 3kdp s ASP 574 Ca 0.04 -1.19 0.00 0.00 0.18 0.00 0.00 52.55 51.58 3kdp s ASP 574 Cb 0.03 0.10 0.00 0.00 1.07 0.00 0.00 42.92 44.12 3kdp s ASP 574 CO 0.00 -0.56 0.00 0.59 1.18 0.00 0.00 175.17 176.38 3kdp n ASN 575 N -0.28 -5.60 -4.54 0.27 3.02 -1.22 -4.92 115.26 101.98 3kdp n ASN 575 Ca -0.06 0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 3kdp n ASN 575 Cb 0.63 -3.72 0.09 0.00 -0.61 0.00 0.00 39.78 36.18 3kdp n ASN 575 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kdp n LEU 576 N -0.80 2.06 -4.81 3.41 4.77 -1.17 -4.19 117.00 116.26 3kdp n LEU 576 Ca -0.07 0.56 -0.34 0.00 -0.03 0.00 0.00 56.01 56.13 3kdp n LEU 576 Cb 0.52 -1.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.22 3kdp n LEU 576 CO 0.11 -2.64 0.59 0.00 -1.33 0.00 0.00 177.39 174.12 3kdp s PHE 578 N -1.96 3.29 -0.07 0.00 2.19 0.30 -1.07 117.98 120.66 3kdp s PHE 578 Ca 0.56 -1.32 -0.17 0.00 0.33 0.00 0.00 56.93 56.34 3kdp s PHE 578 Cb -0.12 -2.66 -0.29 0.00 -1.31 0.00 0.00 43.02 38.64 3kdp s PHE 578 CO 0.17 -0.76 0.69 0.28 1.83 0.00 0.00 175.22 177.43 3kdp h VAL 579 N 6.03 1.16 0.00 3.12 2.07 -1.66 -2.90 116.25 124.07 3kdp h VAL 579 Ca -0.24 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.81 3kdp h VAL 579 Cb 1.09 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 3kdp h VAL 579 CO 0.70 0.74 0.00 0.61 0.02 0.00 0.00 177.57 179.64 3kdp n GLY 580 N 1.74 1.51 3.83 2.17 0.00 -1.06 -4.61 105.19 108.77 3kdp n GLY 580 Ca -0.22 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 3kdp n GLY 580 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdp s LEU 581 N 0.00 4.45 0.04 0.99 1.43 -1.25 -1.75 118.68 122.59 3kdp s LEU 581 Ca 0.00 0.87 0.07 0.00 -1.03 0.00 0.00 54.13 54.04 3kdp s LEU 581 Cb 0.00 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3kdp s LEU 581 CO 0.00 0.32 -0.20 -0.63 0.23 0.00 0.00 176.35 176.07 3kdp s ILE 582 N -0.96 1.59 -0.01 -0.59 1.01 -1.01 0.61 121.20 121.85 3kdp s ILE 582 Ca 0.22 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3kdp s ILE 582 Cb -0.16 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.93 3kdp s ILE 582 CO 0.12 0.18 -0.01 -0.94 0.00 0.00 0.00 174.94 174.29 3kdp s SER 583 N -1.17 0.19 0.45 3.58 1.04 -0.95 -0.36 113.70 116.48 3kdp s SER 583 Ca 0.07 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.53 3kdp s SER 583 Cb -0.09 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 3kdp s SER 583 CO 0.02 -0.01 0.08 0.00 0.98 0.00 0.00 173.24 174.30 3kdp s MET 584 N 0.22 2.12 0.05 4.02 0.23 0.01 0.29 119.30 126.24 3kdp s MET 584 Ca -0.02 -2.13 -0.27 0.00 -1.03 0.00 0.00 55.69 52.24 3kdp s MET 584 Cb -0.04 -1.72 0.09 0.00 -1.53 0.00 0.00 34.83 31.63 3kdp s MET 584 CO -0.01 -0.20 0.89 -1.50 -2.03 0.00 0.00 175.02 172.17 3kdp s ILE 585 N -2.74 0.00 -0.49 3.16 2.07 0.97 -2.05 121.20 122.12 3kdp s ILE 585 Ca 0.28 -0.21 -0.17 0.00 -1.41 0.00 0.00 60.65 59.13 3kdp s ILE 585 Cb 0.05 -1.32 0.06 0.00 0.13 0.00 0.00 42.46 41.39 3kdp s ILE 585 CO 0.15 0.00 0.51 -0.62 -1.91 0.00 0.00 174.94 173.07 3kdp s ASP 586 N -2.64 6.19 0.26 4.50 2.15 -1.26 -0.03 116.67 125.83 3kdp s ASP 586 Ca 0.07 -1.10 -0.04 0.00 0.43 0.00 0.00 52.55 51.91 3kdp s ASP 586 Cb -0.01 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 3kdp s ASP 586 CO -0.06 -0.77 0.51 -2.16 -0.17 0.00 0.00 175.17 172.52 3kdp s PRO 587 N 2.15 3.60 0.93 4.34 0.05 -1.26 -4.89 135.00 139.92 3kdp s PRO 587 Ca 0.10 -0.09 -0.11 0.00 0.05 0.00 0.00 61.00 60.95 3kdp s PRO 587 Cb -0.22 -2.70 0.13 0.00 0.05 0.00 0.00 34.50 31.76 3kdp s PRO 587 CO 0.09 0.27 0.98 -2.30 0.05 0.00 0.00 177.00 176.09 3kdp n PRO 588 N -0.84 -0.45 -1.94 0.56 -0.02 -1.26 -2.40 135.00 128.64 3kdp n PRO 588 Ca -0.02 -0.07 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 3kdp n PRO 588 Cb 0.54 -2.26 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3kdp n PRO 588 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kdp s ARG 589 N -4.41 2.77 0.12 -0.52 0.52 -1.12 -4.63 118.95 111.68 3kdp s ARG 589 Ca 0.65 0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 55.93 3kdp s ARG 589 Cb -0.23 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 3kdp s ARG 589 CO 0.60 -1.06 1.59 0.00 0.02 0.00 0.00 175.30 176.46 3kdp h ALA 590 N -0.64 -0.65 -0.09 2.13 0.00 -1.93 -2.52 119.26 115.55 3kdp h ALA 590 Ca -0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 3kdp h ALA 590 Cb 1.26 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 3kdp h ALA 590 CO 0.64 -0.94 -0.43 0.00 0.00 0.00 0.00 179.25 178.51 3kdp h ALA 591 N -0.02 1.10 -0.95 0.00 0.00 -1.95 -3.34 119.26 114.10 3kdp h ALA 591 Ca 0.04 -0.42 0.26 0.00 0.00 0.00 0.00 54.91 54.78 3kdp h ALA 591 Cb 0.64 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.17 3kdp h ALA 591 CO -0.28 0.60 0.07 0.28 0.00 0.00 0.00 179.25 179.92 3kdp h VAL 592 N 0.18 0.10 0.06 0.00 2.07 -1.75 0.24 116.25 117.14 3kdp h VAL 592 Ca 0.01 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kdp h VAL 592 Cb 0.84 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kdp h VAL 592 CO 0.07 0.01 -0.03 -0.65 0.02 0.00 0.00 177.57 176.99 3kdp h PRO 593 N 0.05 -0.07 -0.84 1.57 0.11 -1.75 -2.63 132.00 128.44 3kdp h PRO 593 Ca 0.58 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.81 3kdp h PRO 593 Cb 1.19 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3kdp h PRO 593 CO -0.85 0.53 0.45 0.22 -0.21 0.00 0.00 178.00 178.15 3kdp h ASP 594 N -0.82 0.60 -0.55 -2.05 1.82 -1.58 -2.59 116.42 111.25 3kdp h ASP 594 Ca -0.01 0.07 -0.26 0.00 -0.39 0.00 0.00 57.03 56.44 3kdp h ASP 594 Cb 0.64 -0.04 -0.16 0.00 0.68 0.00 0.00 39.33 40.46 3kdp h ASP 594 CO 0.01 0.30 0.33 0.00 -1.61 0.00 0.00 179.24 178.28 3kdp n ALA 595 N -2.40 4.19 -0.00 -0.78 0.00 0.76 -2.96 120.51 119.32 3kdp n ALA 595 Ca 0.15 -1.63 -0.00 0.00 0.00 0.00 0.00 53.44 51.96 3kdp n ALA 595 Cb 0.36 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 3kdp n ALA 595 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kdp n VAL 596 N -0.35 0.01 0.34 0.00 0.31 -0.98 -4.47 118.33 113.17 3kdp n VAL 596 Ca 0.33 -0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.80 3kdp n VAL 596 Cb 1.14 -0.61 0.59 0.00 -0.91 0.00 0.00 33.84 34.05 3kdp n VAL 596 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kdp h GLY 597 N 0.01 0.00 0.81 2.92 0.00 -1.57 -2.26 103.07 102.98 3kdp h GLY 597 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kdp h GLY 597 CO -0.00 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.96 3kdp h LYS 598 N 0.00 -0.23 0.00 4.80 1.79 -1.75 -2.80 116.57 118.37 3kdp h LYS 598 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3kdp h LYS 598 Cb 0.47 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3kdp h LYS 598 CO 0.00 -0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 3kdp n ARG 600 N -0.52 1.23 0.29 0.00 1.74 -1.07 -0.57 116.66 117.77 3kdp n ARG 600 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 3kdp n ARG 600 Cb 0.00 -0.95 0.88 0.00 -1.02 0.00 0.00 32.46 31.37 3kdp n ARG 600 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3kdp h SER 601 N 0.00 0.00 0.57 0.55 0.02 -0.94 -0.97 113.55 112.78 3kdp h SER 601 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kdp h SER 601 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3kdp h SER 601 CO 0.00 0.04 -0.60 0.00 -1.14 0.00 0.00 176.83 175.13 3kdp n ALA 602 N -2.15 3.40 -1.00 3.77 0.00 -1.00 -3.76 120.51 119.76 3kdp n ALA 602 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.09 3kdp n ALA 602 Cb 0.21 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 3kdp n ALA 602 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 603 N 1.45 0.41 3.81 0.00 0.00 -0.37 -3.79 105.19 106.69 3kdp n GLY 603 Ca 0.05 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3kdp n GLY 603 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdp s ILE 604 N -2.00 4.46 -0.11 -0.61 1.01 0.27 -4.59 121.20 119.62 3kdp s ILE 604 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 60.65 61.88 3kdp s ILE 604 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3kdp s ILE 604 CO 0.00 0.09 0.51 -0.75 0.00 0.00 0.00 174.94 174.79 3kdp s LYS 605 N -2.23 4.35 -0.08 2.79 2.20 -0.30 -4.44 119.74 122.04 3kdp s LYS 605 Ca 0.48 0.52 -0.04 0.00 -0.36 0.00 0.00 55.97 56.57 3kdp s LYS 605 Cb -0.16 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3kdp s LYS 605 CO 0.21 0.14 0.08 0.14 -0.36 0.00 0.00 175.35 175.56 3kdp s VAL 606 N 0.67 4.97 -0.02 4.02 -7.23 -1.26 -0.41 120.40 121.14 3kdp s VAL 606 Ca 0.28 -0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 3kdp s VAL 606 Cb -0.15 -3.16 0.02 0.00 0.56 0.00 0.00 36.38 33.64 3kdp s VAL 606 CO 0.11 0.56 0.01 -0.63 -0.31 0.00 0.00 175.10 174.84 3kdp s ILE 607 N -1.02 0.07 -0.11 -0.62 1.01 -0.33 -4.46 121.20 115.75 3kdp s ILE 607 Ca 0.16 0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3kdp s ILE 607 Cb -0.12 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 3kdp s ILE 607 CO 0.06 0.09 0.76 -0.32 0.00 0.00 0.00 174.94 175.52 3kdp s MET 608 N 0.68 4.38 -0.31 2.79 -2.45 -1.13 -2.00 119.30 121.27 3kdp s MET 608 Ca -0.06 0.94 0.01 0.00 -1.25 0.00 0.00 55.69 55.33 3kdp s MET 608 Cb -0.09 -3.50 0.10 0.00 1.25 0.00 0.00 34.83 32.58 3kdp s MET 608 CO -0.02 -0.10 0.07 0.08 1.05 0.00 0.00 175.02 176.10 3kdp s VAL 609 N 1.36 1.30 -0.03 10.11 1.01 -0.69 -1.02 120.40 132.44 3kdp s VAL 609 Ca 0.38 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 3kdp s VAL 609 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kdp s VAL 609 CO 0.16 -0.59 0.06 0.28 0.00 0.00 0.00 175.10 175.01 3kdp s THR 610 N 1.41 -0.01 -0.55 3.92 -1.32 -0.86 -3.21 115.64 115.01 3kdp s THR 610 Ca 0.08 0.05 0.06 0.00 -1.21 0.00 0.00 61.69 60.68 3kdp s THR 610 Cb -0.18 -0.10 0.41 0.00 -1.51 0.00 0.00 72.50 71.12 3kdp s THR 610 CO -0.18 0.02 1.20 0.61 -2.21 0.00 0.00 174.62 174.06 3kdp n GLY 611 N 3.36 2.43 0.00 6.08 0.00 -1.26 0.57 105.19 116.37 3kdp n GLY 611 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3kdp n GLY 611 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kdp n ASP 612 N 0.21 0.00 -4.87 1.61 4.64 -1.26 -4.38 116.55 112.50 3kdp n ASP 612 Ca 0.17 -0.77 -0.32 0.00 -1.38 0.00 0.00 54.79 52.49 3kdp n ASP 612 Cb 0.80 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.83 3kdp n ASP 612 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 3kdp s HIS 613 N -0.13 3.44 0.65 -0.67 3.76 -1.26 -0.21 115.29 120.87 3kdp s HIS 613 Ca 0.00 0.23 0.40 0.00 -0.15 0.00 0.00 55.06 55.55 3kdp s HIS 613 Cb 0.00 -1.75 2.21 0.00 1.11 0.00 0.00 32.58 34.16 3kdp s HIS 613 CO 0.00 0.59 2.29 -1.35 -0.85 0.00 0.00 174.74 175.41 3kdp h PRO 614 N 3.39 0.00 0.23 8.40 0.11 -1.96 -1.87 132.00 140.30 3kdp h PRO 614 Ca -0.47 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 3kdp h PRO 614 Cb 1.17 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.31 3kdp h PRO 614 CO 0.71 0.00 -1.57 0.82 -0.21 0.00 0.00 178.00 177.75 3kdp h ILE 615 N 0.00 1.17 0.36 4.15 1.08 -2.00 -2.52 117.51 119.75 3kdp h ILE 615 Ca 0.01 -2.63 -0.02 0.00 -0.39 0.00 0.00 64.86 61.82 3kdp h ILE 615 Cb 0.12 2.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.83 3kdp h ILE 615 CO -0.00 0.83 -0.17 0.74 -0.69 0.00 0.00 178.15 178.85 3kdp h THR 616 N 0.13 0.00 0.00 -0.27 2.02 -1.77 -3.22 112.91 109.80 3kdp h THR 616 Ca -0.29 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3kdp h THR 616 Cb 2.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3kdp h THR 616 CO 0.24 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.13 3kdp n ALA 617 N -2.42 0.00 0.05 6.16 0.00 -0.75 0.13 120.51 123.68 3kdp n ALA 617 Ca -0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.59 3kdp n ALA 617 Cb 0.19 0.11 0.74 0.00 0.00 0.00 0.00 19.45 20.49 3kdp n ALA 617 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kdp h LYS 618 N 0.00 0.00 0.23 0.00 3.64 -1.61 0.80 116.57 119.63 3kdp h LYS 618 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 3kdp h LYS 618 Cb 0.00 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3kdp h LYS 618 CO 0.00 0.00 -1.45 0.00 -2.27 0.00 0.00 179.45 175.73 3kdp h ALA 619 N 1.54 -0.14 -0.21 5.00 0.00 0.11 -2.49 119.26 123.07 3kdp h ALA 619 Ca 0.23 -0.84 -0.19 0.00 0.00 0.00 0.00 54.91 54.10 3kdp h ALA 619 Cb 1.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kdp h ALA 619 CO -0.00 0.69 -0.61 0.82 0.00 0.00 0.00 179.25 180.15 3kdp h ILE 620 N 0.17 1.29 -0.48 0.00 1.08 0.10 -2.62 117.51 117.06 3kdp h ILE 620 Ca -0.25 -1.81 0.05 0.00 -0.39 0.00 0.00 64.86 62.46 3kdp h ILE 620 Cb 2.13 1.83 -0.08 0.00 -3.07 0.00 0.00 36.82 37.64 3kdp h ILE 620 CO 0.27 0.58 -0.49 0.00 -0.69 0.00 0.00 178.15 177.82 3kdp h ALA 621 N 0.60 -0.66 0.00 1.87 0.00 0.48 0.28 119.26 121.84 3kdp h ALA 621 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kdp h ALA 621 Cb 1.23 1.14 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 3kdp h ALA 621 CO 0.13 -0.92 -0.00 0.87 0.00 0.00 0.00 179.25 179.33 3kdp h LYS 622 N -0.26 0.00 0.07 0.00 1.57 -1.42 -1.10 116.57 115.43 3kdp h LYS 622 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kdp h LYS 622 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kdp h LYS 622 CO -0.59 0.00 -0.03 0.78 -0.57 0.00 0.00 179.45 179.04 3kdp h GLY 623 N 0.02 -0.10 1.05 3.86 0.00 -0.10 -3.32 103.07 104.47 3kdp h GLY 623 Ca -0.00 0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3kdp h GLY 623 CO 0.00 -0.04 -0.39 -0.39 0.00 0.00 0.00 176.54 175.72 3kdp h VAL 624 N -0.90 1.29 0.00 4.60 -1.51 -1.14 -3.47 116.25 115.12 3kdp h VAL 624 Ca -0.01 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 3kdp h VAL 624 Cb 0.59 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3kdp h VAL 624 CO 0.02 0.51 0.00 0.61 -1.23 0.00 0.00 177.57 177.48 3kdp n GLY 625 N 0.25 0.39 0.13 5.19 0.00 -0.52 -4.31 105.19 106.31 3kdp n GLY 625 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3kdp n GLY 625 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kdp n ILE 626 N 0.00 0.76 -3.86 -0.61 5.41 -0.59 -4.14 119.36 116.33 3kdp n ILE 626 Ca 0.00 0.09 -0.30 0.00 1.00 0.00 0.00 62.75 63.54 3kdp n ILE 626 Cb 0.00 -1.01 -0.15 0.00 -0.71 0.00 0.00 39.64 37.77 3kdp n ILE 626 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kdp s ILE 627 N -3.27 1.67 0.55 1.39 1.01 -1.22 -4.56 121.20 116.79 3kdp s ILE 627 Ca 0.06 -2.18 -0.18 0.00 0.00 0.00 0.00 60.65 58.35 3kdp s ILE 627 Cb 0.10 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3kdp s ILE 627 CO 0.45 -0.70 1.07 -0.94 0.00 0.00 0.00 174.94 174.82 3kdp s SER 628 N 0.90 5.87 0.25 3.58 1.04 -1.26 -4.45 113.70 119.64 3kdp s SER 628 Ca 0.13 1.96 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 3kdp s SER 628 Cb -0.20 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.26 3kdp s SER 628 CO -0.11 -1.11 0.10 1.21 0.98 0.00 0.00 173.24 174.31 3kdp n GLU 629 N -1.56 0.00 -0.83 4.02 4.07 -1.26 -1.25 120.64 123.82 3kdp n GLU 629 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3kdp n GLU 629 Cb 0.52 -0.67 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 3kdp n GLU 629 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kdp n GLY 630 N 1.55 0.00 3.85 8.31 0.00 -1.26 -4.92 105.19 112.71 3kdp n GLY 630 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3kdp n GLY 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kdp s ASN 631 N -1.75 6.25 0.36 1.61 3.84 -0.38 -5.10 114.94 119.77 3kdp s ASN 631 Ca 0.00 0.42 0.07 0.00 0.21 0.00 0.00 52.86 53.56 3kdp s ASN 631 Cb 0.00 -2.01 -0.07 0.00 -0.55 0.00 0.00 41.25 38.62 3kdp s ASN 631 CO 0.00 0.40 -0.00 -1.61 -2.79 0.00 0.00 177.10 173.09 3kdp s GLU 632 N -0.96 1.81 0.49 0.43 2.02 -1.26 -4.86 118.70 116.37 3kdp s GLU 632 Ca 0.14 -2.00 0.05 0.00 0.02 0.00 0.00 54.97 53.19 3kdp s GLU 632 Cb -0.12 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.70 3kdp s GLU 632 CO 0.04 -0.04 0.21 -0.08 0.02 0.00 0.00 175.26 175.40 3kdp s THR 633 N -2.87 1.70 0.05 3.63 -1.32 -1.26 -2.23 115.64 113.35 3kdp s THR 633 Ca 0.34 -1.71 -0.20 0.00 -1.21 0.00 0.00 61.69 58.91 3kdp s THR 633 Cb 0.08 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.56 3kdp s THR 633 CO 0.16 0.00 1.31 0.58 -2.21 0.00 0.00 174.62 174.47 3kdp h VAL 634 N 1.15 0.00 -0.38 5.08 2.07 -1.92 -1.08 116.25 121.17 3kdp h VAL 634 Ca -0.41 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.19 3kdp h VAL 634 Cb 1.29 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 3kdp h VAL 634 CO 0.67 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.69 3kdp h GLU 635 N -0.49 -0.17 -1.32 1.57 5.08 -1.97 0.77 114.58 118.06 3kdp h GLU 635 Ca -0.02 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.77 3kdp h GLU 635 Cb 0.46 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 3kdp h GLU 635 CO -0.11 -0.11 0.87 -0.44 -1.00 0.00 0.00 179.01 178.22 3kdp h ASP 636 N -0.17 0.24 0.00 1.42 3.32 -1.89 -1.91 116.42 117.43 3kdp h ASP 636 Ca 0.18 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3kdp h ASP 636 Cb 0.46 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kdp h ASP 636 CO -0.48 -0.13 -0.04 0.40 -1.72 0.00 0.00 179.24 177.27 3kdp h ILE 637 N 0.11 0.60 -0.95 0.35 2.04 0.18 -3.23 117.51 116.61 3kdp h ILE 637 Ca 0.79 -1.46 0.28 0.00 1.00 0.00 0.00 64.86 65.47 3kdp h ILE 637 Cb 2.51 1.14 -0.17 0.00 -0.74 0.00 0.00 36.82 39.56 3kdp h ILE 637 CO -0.36 0.20 0.15 0.00 0.00 0.00 0.00 178.15 178.14 3kdp h ALA 638 N -0.67 1.32 -0.15 1.87 0.00 -0.22 2.77 119.26 124.19 3kdp h ALA 638 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kdp h ALA 638 Cb 0.36 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kdp h ALA 638 CO -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.65 3kdp n ALA 639 N -2.90 2.50 -0.21 0.00 0.00 -1.03 -0.75 120.51 118.12 3kdp n ALA 639 Ca 0.24 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.45 3kdp n ALA 639 Cb 0.80 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 19.38 3kdp n ALA 639 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kdp n ARG 640 N -0.03 2.86 -0.84 0.00 0.63 0.92 -4.57 116.66 115.63 3kdp n ARG 640 Ca 0.05 -1.96 -0.02 0.00 -0.92 0.00 0.00 57.85 55.01 3kdp n ARG 640 Cb 0.15 -1.24 -0.02 0.00 0.45 0.00 0.00 32.46 31.81 3kdp n ARG 640 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kdp n LEU 641 N 0.07 -0.14 -2.13 6.15 4.32 -0.55 -5.04 117.00 119.68 3kdp n LEU 641 Ca 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 56.01 54.58 3kdp n LEU 641 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 3kdp n LEU 641 CO 0.06 0.93 0.00 -3.20 -1.22 0.00 0.00 177.39 173.96 3kdp n ASN 642 N 0.09 0.00 -4.09 -1.43 2.85 0.07 -4.89 115.26 107.86 3kdp n ASN 642 Ca -0.08 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.15 3kdp n ASN 642 Cb 0.72 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.58 3kdp n ASN 642 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3kdp s ILE 643 N -2.53 1.20 0.53 -1.44 -4.36 -0.94 -5.04 121.20 108.62 3kdp s ILE 643 Ca 0.00 -0.60 -0.18 0.00 -0.26 0.00 0.00 60.65 59.61 3kdp s ILE 643 Cb 0.00 -1.04 -0.12 0.00 1.25 0.00 0.00 42.46 42.56 3kdp s ILE 643 CO 0.00 0.35 0.22 -2.65 0.24 0.00 0.00 174.94 173.10 3kdp n PRO 644 N 3.14 0.27 -0.01 0.37 -0.02 -1.26 -4.62 135.00 132.87 3kdp n PRO 644 Ca -0.18 0.10 -0.13 0.00 -2.02 0.00 0.00 63.50 61.28 3kdp n PRO 644 Cb 0.54 -1.36 -0.10 0.00 -0.02 0.00 0.00 33.50 32.56 3kdp n PRO 644 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kdp h VAL 645 N 0.15 1.35 0.00 -1.45 2.07 -1.97 -2.97 116.25 113.44 3kdp h VAL 645 Ca -0.43 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3kdp h VAL 645 Cb 1.42 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3kdp h VAL 645 CO 0.45 0.27 0.00 -1.54 0.02 0.00 0.00 177.57 176.77 3kdp n SER 646 N -4.87 0.10 0.00 0.57 3.41 -1.26 0.23 113.62 111.79 3kdp n SER 646 Ca -0.08 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3kdp n SER 646 Cb 0.23 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3kdp n SER 646 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3kdp n GLN 647 N 0.69 0.30 -3.61 4.33 7.27 -1.12 -5.02 117.38 120.23 3kdp n GLN 647 Ca 0.00 -0.31 -0.36 0.00 0.07 0.00 0.00 57.00 56.39 3kdp n GLN 647 Cb 0.02 -0.79 -0.08 0.00 2.41 0.00 0.00 30.24 31.79 3kdp n GLN 647 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3kdp s VAL 648 N -0.13 5.34 -0.65 1.69 1.01 0.13 -5.02 120.40 122.77 3kdp s VAL 648 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 3kdp s VAL 648 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3kdp s VAL 648 CO 0.00 0.37 2.11 0.21 0.00 0.00 0.00 175.10 177.79 3kdp s ASN 649 N 0.73 4.81 0.63 3.32 2.47 -1.26 -4.83 114.94 120.81 3kdp s ASN 649 Ca 0.12 0.35 0.26 0.00 0.42 0.00 0.00 52.86 54.01 3kdp s ASN 649 Cb -0.13 -2.53 1.35 0.00 -1.45 0.00 0.00 41.25 38.49 3kdp s ASN 649 CO 0.03 -2.79 1.77 -0.65 -3.72 0.00 0.00 177.10 171.74 3kdp h PRO 650 N 15.47 0.00 -0.00 0.43 0.11 -1.95 0.72 132.00 146.77 3kdp h PRO 650 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kdp h PRO 650 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kdp h PRO 650 CO 1.17 0.00 -0.01 0.54 -0.21 0.00 0.00 178.00 179.49 3kdp n ARG 651 N -3.21 0.78 0.25 1.05 5.12 -1.26 -2.43 116.66 116.97 3kdp n ARG 651 Ca 0.04 -0.05 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 3kdp n ARG 651 Cb 0.65 -1.50 0.51 0.00 -1.16 0.00 0.00 32.46 30.97 3kdp n ARG 651 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3kdp h ASP 652 N 0.12 0.00 -3.59 0.55 3.32 0.08 -3.43 116.42 113.47 3kdp h ASP 652 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 3kdp h ASP 652 Cb 0.15 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.52 3kdp h ASP 652 CO 0.00 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.23 3kdp s ALA 653 N -3.50 3.47 -0.03 3.45 0.00 -1.02 -4.96 121.76 119.17 3kdp s ALA 653 Ca 0.03 -1.43 -0.25 0.00 0.00 0.00 0.00 51.96 50.31 3kdp s ALA 653 Cb 0.08 -2.92 -0.20 0.00 0.00 0.00 0.00 23.12 20.08 3kdp s ALA 653 CO 0.57 -1.34 1.17 0.87 0.00 0.00 0.00 175.76 177.04 3kdp h LYS 654 N 8.60 -0.07 -6.53 0.00 1.79 -1.84 -3.46 116.57 115.06 3kdp h LYS 654 Ca -0.28 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.74 3kdp h LYS 654 Cb 1.13 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.81 3kdp h LYS 654 CO 0.74 0.42 -0.21 0.00 -1.08 0.00 0.00 179.45 179.32 3kdp s ALA 655 N -4.10 3.97 -0.17 3.86 0.00 -0.95 -1.98 121.76 122.39 3kdp s ALA 655 Ca -0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 3kdp s ALA 655 Cb 0.01 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.31 3kdp s ALA 655 CO 0.63 -0.22 0.95 0.00 0.00 0.00 0.00 175.76 177.11 3kdp s VAL 657 N -0.81 4.11 -0.05 0.00 1.01 -1.26 -1.51 120.40 121.88 3kdp s VAL 657 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3kdp s VAL 657 Cb -0.01 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3kdp s VAL 657 CO 0.01 0.46 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 3kdp s VAL 658 N 0.57 2.31 -0.11 2.92 1.01 -0.77 -4.97 120.40 121.37 3kdp s VAL 658 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 3kdp s VAL 658 Cb -0.14 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3kdp s VAL 658 CO 0.02 0.57 0.37 -2.28 0.00 0.00 0.00 175.10 173.78 3kdp s HIS 659 N -0.31 3.54 -0.50 5.22 2.46 -1.26 -0.25 115.29 124.20 3kdp s HIS 659 Ca 0.01 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.31 3kdp s HIS 659 Cb -0.13 -2.38 0.00 0.00 -0.13 0.00 0.00 32.58 29.94 3kdp s HIS 659 CO 0.02 0.32 0.73 0.41 -2.47 0.00 0.00 174.74 173.75 3kdp n GLY 660 N 2.95 -0.24 0.43 1.59 0.00 -0.05 0.60 105.19 110.48 3kdp n GLY 660 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3kdp n GLY 660 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kdp n SER 661 N -1.23 1.86 -0.07 1.61 7.64 -1.26 -2.80 113.62 119.37 3kdp n SER 661 Ca 0.00 -1.42 -0.06 0.00 1.01 0.00 0.00 58.87 58.40 3kdp n SER 661 Cb 0.25 0.51 -0.13 0.00 -1.01 0.00 0.00 64.21 63.83 3kdp n SER 661 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kdp n ASP 662 N -0.22 0.92 -0.02 6.43 8.00 0.20 -4.33 116.55 127.54 3kdp n ASP 662 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.50 3kdp n ASP 662 Cb 0.45 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.54 3kdp n ASP 662 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kdp h LEU 663 N 0.00 -0.31 -0.66 0.64 3.38 -1.50 -1.60 115.31 115.26 3kdp h LEU 663 Ca -0.39 0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.85 3kdp h LEU 663 Cb 1.86 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.65 3kdp h LEU 663 CO 0.02 -0.13 0.08 1.17 0.09 0.00 0.00 178.44 179.67 3kdp n LYS 664 N -5.24 -0.05 -0.21 1.13 4.81 -1.12 -0.70 118.16 116.77 3kdp n LYS 664 Ca -0.03 0.98 0.06 0.00 -0.87 0.00 0.00 58.31 58.45 3kdp n LYS 664 Cb 0.17 -1.59 0.16 0.00 0.02 0.00 0.00 35.03 33.79 3kdp n LYS 664 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kdp n ASP 665 N -4.81 3.03 -4.93 3.14 8.00 -0.85 -4.99 116.55 115.15 3kdp n ASP 665 Ca 0.17 -2.24 -0.26 0.00 0.71 0.00 0.00 54.79 53.17 3kdp n ASP 665 Cb 0.57 -0.28 0.06 0.00 -0.02 0.00 0.00 41.12 41.46 3kdp n ASP 665 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3kdp s MET 666 N -1.43 2.26 0.01 -1.24 -1.94 0.12 -5.09 119.30 111.99 3kdp s MET 666 Ca 0.25 -0.25 0.08 0.00 -1.71 0.00 0.00 55.69 54.07 3kdp s MET 666 Cb 0.16 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 3kdp s MET 666 CO 0.12 -1.19 -0.25 -0.08 -0.01 0.00 0.00 175.02 173.62 3kdp s THR 667 N -3.22 2.19 0.17 2.05 -1.32 -1.26 -5.00 115.64 109.25 3kdp s THR 667 Ca 0.60 -1.23 0.09 0.00 -1.21 0.00 0.00 61.69 59.93 3kdp s THR 667 Cb -0.11 -1.82 0.16 0.00 -1.51 0.00 0.00 72.50 69.23 3kdp s THR 667 CO 0.45 0.47 0.72 -1.54 -2.21 0.00 0.00 174.62 172.50 3kdp n SER 668 N 2.07 0.14 0.00 8.08 3.41 -1.26 0.24 113.62 126.29 3kdp n SER 668 Ca -0.16 0.76 -0.18 0.00 -0.26 0.00 0.00 58.87 59.03 3kdp n SER 668 Cb 0.52 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3kdp n SER 668 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kdp h GLU 669 N 0.00 0.46 0.00 4.33 3.07 -1.98 0.69 114.58 121.15 3kdp h GLU 669 Ca 0.37 -0.48 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3kdp h GLU 669 Cb 0.97 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3kdp h GLU 669 CO -0.36 1.12 -0.02 1.96 -1.40 0.00 0.00 179.01 180.31 3kdp h GLN 670 N -0.01 0.00 0.01 2.33 4.20 -0.61 -2.00 115.11 119.03 3kdp h GLN 670 Ca -0.07 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3kdp h GLN 670 Cb 1.33 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.12 3kdp h GLN 670 CO 0.13 0.02 -0.38 1.25 -0.67 0.00 0.00 178.83 179.18 3kdp h LEU 671 N 0.00 0.31 -2.17 1.46 6.46 -0.84 -1.69 115.31 118.84 3kdp h LEU 671 Ca -0.00 -0.80 0.04 0.00 -0.12 0.00 0.00 57.88 57.00 3kdp h LEU 671 Cb 0.04 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3kdp h LEU 671 CO 0.00 1.08 0.13 0.44 -0.62 0.00 0.00 178.44 179.47 3kdp h ASP 672 N -0.41 0.00 0.01 1.25 3.32 0.65 0.88 116.42 122.12 3kdp h ASP 672 Ca -0.05 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.74 3kdp h ASP 672 Cb 1.14 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.71 3kdp h ASP 672 CO 0.07 0.00 -1.02 0.44 -1.72 0.00 0.00 179.24 177.01 3kdp h ASP 673 N 0.00 0.90 0.21 6.45 3.45 -1.31 0.58 116.42 126.70 3kdp h ASP 673 Ca 0.07 -0.71 -0.06 0.00 0.43 0.00 0.00 57.03 56.76 3kdp h ASP 673 Cb 0.33 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3kdp h ASP 673 CO -0.00 1.51 -0.26 0.40 -1.57 0.00 0.00 179.24 179.32 3kdp h ILE 674 N 0.40 1.21 0.11 0.35 2.04 0.08 -2.08 117.51 119.61 3kdp h ILE 674 Ca -0.12 -1.01 -0.20 0.00 1.00 0.00 0.00 64.86 64.54 3kdp h ILE 674 Cb 1.67 1.47 0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3kdp h ILE 674 CO 0.20 0.29 -0.95 -0.07 0.00 0.00 0.00 178.15 177.63 3kdp h LEU 675 N 0.09 0.35 -2.73 1.44 4.07 -1.17 -3.22 115.31 114.13 3kdp h LEU 675 Ca 0.01 -0.90 -0.00 0.00 0.08 0.00 0.00 57.88 57.08 3kdp h LEU 675 Cb 0.51 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3kdp h LEU 675 CO 0.04 1.43 -0.01 0.50 -1.08 0.00 0.00 178.44 179.32 3kdp h LYS 676 N -0.47 0.00 0.00 1.13 3.64 -0.73 -3.23 116.57 116.91 3kdp h LYS 676 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kdp h LYS 676 Cb 1.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3kdp h LYS 676 CO 0.08 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 3kdp n TYR 677 N -3.21 0.00 -4.47 1.91 4.01 -0.80 -5.03 117.16 109.58 3kdp n TYR 677 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 3kdp n TYR 677 Cb 0.10 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.00 3kdp n TYR 677 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3kdp s HIS 678 N -0.42 1.87 -0.24 -0.72 3.76 -1.21 -4.92 115.29 113.40 3kdp s HIS 678 Ca 0.00 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.42 3kdp s HIS 678 Cb 0.00 -1.06 -0.16 0.00 1.11 0.00 0.00 32.58 32.46 3kdp s HIS 678 CO 0.00 0.16 -0.14 0.25 -0.85 0.00 0.00 174.74 174.16 3kdp n THR 679 N 1.42 1.55 -3.47 1.30 -2.24 -0.84 -4.83 114.28 107.18 3kdp n THR 679 Ca -0.18 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.74 3kdp n THR 679 Cb 0.53 -1.74 -0.07 0.00 -2.10 0.00 0.00 70.33 66.95 3kdp n THR 679 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kdp s GLU 680 N -2.50 2.66 0.10 -0.78 2.02 -1.23 -4.83 118.70 114.14 3kdp s GLU 680 Ca -0.34 -1.74 0.06 0.00 0.02 0.00 0.00 54.97 52.97 3kdp s GLU 680 Cb 0.11 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 3kdp s GLU 680 CO 0.58 -1.24 -0.03 0.42 0.02 0.00 0.00 175.26 175.01 3kdp s ILE 681 N 1.45 3.80 -0.37 -1.63 1.01 -1.26 -0.40 121.20 123.80 3kdp s ILE 681 Ca 0.05 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3kdp s ILE 681 Cb -0.27 -2.81 0.15 0.00 0.01 0.00 0.00 42.46 39.54 3kdp s ILE 681 CO 0.01 0.10 0.31 -0.69 0.00 0.00 0.00 174.94 174.67 3kdp s VAL 682 N -1.32 -0.07 -0.28 2.92 1.01 -0.57 -2.83 120.40 119.26 3kdp s VAL 682 Ca 0.25 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 3kdp s VAL 682 Cb -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3kdp s VAL 682 CO 0.17 -0.82 1.51 -0.36 0.00 0.00 0.00 175.10 175.59 3kdp s PHE 683 N 1.07 2.30 0.23 5.22 0.40 -0.18 -1.84 117.98 125.18 3kdp s PHE 683 Ca 0.20 0.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.26 3kdp s PHE 683 Cb -0.16 -4.03 -0.04 0.00 0.51 0.00 0.00 43.02 39.31 3kdp s PHE 683 CO -0.03 -2.42 0.22 0.00 0.70 0.00 0.00 175.22 173.68 3kdp s ALA 684 N 5.15 3.65 0.00 5.36 0.00 0.66 -2.04 121.76 134.54 3kdp s ALA 684 Ca 0.66 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3kdp s ALA 684 Cb -0.20 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3kdp s ALA 684 CO 0.28 0.29 0.00 -2.13 0.00 0.00 0.00 175.76 174.21 3kdp n ARG 685 N -1.08 -0.47 -4.27 0.00 0.63 0.19 -0.87 116.66 110.80 3kdp n ARG 685 Ca -0.08 0.59 -0.17 0.00 -0.92 0.00 0.00 57.85 57.27 3kdp n ARG 685 Cb 0.57 -0.52 -0.15 0.00 0.45 0.00 0.00 32.46 32.81 3kdp n ARG 685 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3kdp s THR 686 N -0.28 0.57 1.02 5.15 -4.23 -1.20 -2.48 115.64 114.18 3kdp s THR 686 Ca 0.00 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.05 3kdp s THR 686 Cb 0.00 -0.48 0.08 0.00 1.34 0.00 0.00 72.50 73.45 3kdp s THR 686 CO 0.00 0.16 0.34 -1.20 -0.54 0.00 0.00 174.62 173.38 3kdp n SER 687 N 2.89 -2.02 0.39 3.99 7.64 -1.26 -4.46 113.62 120.79 3kdp n SER 687 Ca -0.13 0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 3kdp n SER 687 Cb 0.58 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 3kdp n SER 687 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kdp h PRO 688 N -1.83 -0.96 -0.94 1.43 0.11 -1.85 -2.67 132.00 125.29 3kdp h PRO 688 Ca -0.48 0.07 0.33 0.00 0.11 0.00 0.00 66.00 66.03 3kdp h PRO 688 Cb 1.31 0.22 -0.17 0.00 0.11 0.00 0.00 31.00 32.47 3kdp h PRO 688 CO 0.37 -0.64 0.29 1.04 -0.21 0.00 0.00 178.00 178.85 3kdp n GLN 689 N -5.53 -0.07 0.23 1.05 3.00 -1.26 -0.54 117.38 114.27 3kdp n GLN 689 Ca -0.14 1.35 0.07 0.00 -0.01 0.00 0.00 57.00 58.27 3kdp n GLN 689 Cb 0.41 -2.30 0.54 0.00 0.00 0.00 0.00 30.24 28.90 3kdp n GLN 689 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3kdp h GLN 690 N 0.00 0.00 0.33 -1.09 4.20 -1.79 0.24 115.11 117.01 3kdp h GLN 690 Ca 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.39 3kdp h GLN 690 Cb 1.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 3kdp h GLN 690 CO -0.80 0.18 -0.16 0.87 -0.67 0.00 0.00 178.83 178.25 3kdp h LYS 691 N 0.00 -0.43 -0.27 1.46 1.57 -0.77 -2.35 116.57 115.77 3kdp h LYS 691 Ca -0.00 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3kdp h LYS 691 Cb 0.34 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 3kdp h LYS 691 CO 0.02 -0.13 -0.52 1.25 -0.57 0.00 0.00 179.45 179.50 3kdp h LEU 692 N -0.72 -1.68 -1.29 2.94 6.46 -1.42 0.18 115.31 119.77 3kdp h LEU 692 Ca -0.05 0.22 0.30 0.00 -0.12 0.00 0.00 57.88 58.23 3kdp h LEU 692 Cb 0.49 0.68 -0.04 0.00 -0.73 0.00 0.00 40.66 41.06 3kdp h LEU 692 CO 0.07 -0.43 1.12 0.40 -0.62 0.00 0.00 178.44 178.98 3kdp h ILE 693 N -0.47 0.06 0.00 4.05 1.08 -0.38 0.18 117.51 122.03 3kdp h ILE 693 Ca 0.07 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.47 3kdp h ILE 693 Cb 0.63 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3kdp h ILE 693 CO -0.51 0.00 -0.68 0.40 -0.69 0.00 0.00 178.15 176.67 3kdp h ILE 694 N 0.00 0.29 -0.64 -0.67 2.04 -0.19 -3.31 117.51 115.03 3kdp h ILE 694 Ca 0.49 -1.36 0.06 0.00 1.00 0.00 0.00 64.86 65.05 3kdp h ILE 694 Cb 2.72 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 39.41 3kdp h ILE 694 CO -0.01 0.10 -0.38 0.52 0.00 0.00 0.00 178.15 178.38 3kdp n VAL 695 N -4.57 -0.44 -0.44 1.67 0.31 -0.21 -0.24 118.33 114.41 3kdp n VAL 695 Ca -0.14 1.91 0.36 0.00 -0.01 0.00 0.00 64.34 66.46 3kdp n VAL 695 Cb 0.37 -2.39 0.65 0.00 -0.91 0.00 0.00 33.84 31.56 3kdp n VAL 695 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kdp h GLU 696 N 0.00 0.11 0.00 5.55 5.08 -1.19 0.50 114.58 124.62 3kdp h GLU 696 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kdp h GLU 696 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kdp h GLU 696 CO -0.60 0.07 -1.07 0.41 -1.00 0.00 0.00 179.01 176.82 3kdp n GLY 697 N -1.56 -1.29 0.09 -3.84 0.00 0.67 0.22 105.19 99.48 3kdp n GLY 697 Ca 0.36 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kdp n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp h GLN 699 N -0.30 -0.61 0.00 0.00 4.20 -0.77 -3.16 115.11 114.46 3kdp h GLN 699 Ca 0.01 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3kdp h GLN 699 Cb 0.60 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3kdp h GLN 699 CO 0.02 -0.41 0.00 -2.13 -0.67 0.00 0.00 178.83 175.64 3kdp n ARG 700 N -5.44 0.00 -3.23 1.46 0.63 0.13 -0.50 116.66 109.71 3kdp n ARG 700 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 3kdp n ARG 700 Cb 0.35 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.25 3kdp n ARG 700 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdp n GLN 701 N -2.52 3.82 0.00 -0.14 10.64 -1.19 -4.93 117.38 123.06 3kdp n GLN 701 Ca 0.00 -4.51 0.00 0.00 -1.83 0.00 0.00 57.00 50.66 3kdp n GLN 701 Cb 0.00 -2.51 0.00 0.00 -0.86 0.00 0.00 30.24 26.87 3kdp n GLN 701 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kdp n GLY 702 N 1.99 0.82 2.90 2.61 0.00 0.34 -4.92 105.19 108.92 3kdp n GLY 702 Ca 0.25 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3kdp n GLY 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdp n ALA 703 N 0.00 -2.66 -2.69 4.61 0.00 -1.26 -4.93 120.51 113.58 3kdp n ALA 703 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3kdp n ALA 703 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 3kdp n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kdp s ILE 704 N -0.76 4.95 -0.08 0.00 -1.09 -1.26 -4.45 121.20 118.52 3kdp s ILE 704 Ca 0.57 1.59 0.05 0.00 -2.23 0.00 0.00 60.65 60.63 3kdp s ILE 704 Cb -0.82 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 35.94 3kdp s ILE 704 CO 0.48 0.14 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.39 3kdp s VAL 705 N 1.44 2.04 0.37 2.92 1.01 -1.26 -1.24 120.40 125.67 3kdp s VAL 705 Ca 0.39 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3kdp s VAL 705 Cb -0.18 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3kdp s VAL 705 CO 0.17 0.56 0.55 0.00 0.00 0.00 0.00 175.10 176.38 3kdp s ALA 706 N 0.07 3.93 -0.07 5.51 0.00 0.63 -0.90 121.76 130.93 3kdp s ALA 706 Ca -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3kdp s ALA 706 Cb -0.16 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.07 3kdp s ALA 706 CO 0.06 -0.13 0.15 0.08 0.00 0.00 0.00 175.76 175.91 3kdp s VAL 707 N -2.32 -0.12 -0.08 0.00 1.01 -1.02 -2.14 120.40 115.73 3kdp s VAL 707 Ca 0.44 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 3kdp s VAL 707 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3kdp s VAL 707 CO 0.34 0.10 0.14 0.42 0.00 0.00 0.00 175.10 176.10 3kdp s THR 708 N 1.54 5.39 0.24 3.92 -4.23 0.50 -0.19 115.64 122.81 3kdp s THR 708 Ca -0.05 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3kdp s THR 708 Cb -0.12 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.36 3kdp s THR 708 CO -0.06 0.53 0.49 0.61 -0.54 0.00 0.00 174.62 175.65 3kdp n GLY 709 N 1.67 1.36 0.00 3.99 0.00 -0.60 -2.03 105.19 109.58 3kdp n GLY 709 Ca -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3kdp n GLY 709 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdp n ASP 710 N -1.31 0.00 -4.57 1.61 3.85 -1.26 -2.34 116.55 112.53 3kdp n ASP 710 Ca -0.05 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.70 3kdp n ASP 710 Cb 0.36 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.02 3kdp n ASP 710 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3kdp s GLY 711 N 0.00 1.70 0.64 6.12 0.00 -1.26 -1.46 107.32 113.06 3kdp s GLY 711 Ca 0.00 -0.99 0.28 0.00 0.00 0.00 0.00 44.72 44.00 3kdp s GLY 711 CO 0.00 -0.82 1.84 -0.24 0.00 0.00 0.00 173.10 173.88 3kdp h VAL 712 N 3.97 0.12 0.00 1.40 3.04 -1.91 1.05 116.25 123.92 3kdp h VAL 712 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3kdp h VAL 712 Cb 1.17 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3kdp h VAL 712 CO 0.52 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.62 3kdp n ASN 713 N -3.14 0.00 -0.09 3.17 6.94 -1.26 -3.18 115.26 117.70 3kdp n ASN 713 Ca 0.02 0.42 -0.11 0.00 -0.02 0.00 0.00 54.58 54.88 3kdp n ASN 713 Cb 0.53 -0.45 -0.15 0.00 -2.36 0.00 0.00 39.78 37.35 3kdp n ASN 713 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kdp n ASP 714 N -1.45 0.51 0.00 0.53 8.00 0.36 -4.48 116.55 120.02 3kdp n ASP 714 Ca 0.03 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3kdp n ASP 714 Cb 0.13 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3kdp n ASP 714 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kdp n SER 715 N -2.90 0.00 -0.27 -2.24 3.41 -1.19 -0.78 113.62 109.65 3kdp n SER 715 Ca -0.32 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3kdp n SER 715 Cb 1.11 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 65.04 3kdp n SER 715 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kdp n PRO 716 N -2.04 -0.15 -0.03 4.33 -0.02 -1.26 0.61 135.00 136.45 3kdp n PRO 716 Ca 0.00 1.08 -0.13 0.00 -2.02 0.00 0.00 63.50 62.43 3kdp n PRO 716 Cb 0.00 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3kdp n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdp h ALA 717 N 1.05 0.04 0.00 3.55 0.00 -1.29 -1.45 119.26 121.16 3kdp h ALA 717 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kdp h ALA 717 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kdp h ALA 717 CO -0.70 -0.15 0.13 0.43 0.00 0.00 0.00 179.25 178.96 3kdp n SER 718 N -4.75 0.00 -0.26 0.00 7.64 0.20 -0.01 113.62 116.44 3kdp n SER 718 Ca -0.08 0.26 0.06 0.00 1.01 0.00 0.00 58.87 60.11 3kdp n SER 718 Cb 0.31 -0.26 0.08 0.00 -1.01 0.00 0.00 64.21 63.33 3kdp n SER 718 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kdp n LYS 719 N -1.22 0.72 0.00 1.43 0.00 0.17 -4.24 118.16 115.02 3kdp n LYS 719 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 58.31 56.42 3kdp n LYS 719 Cb 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 35.03 34.09 3kdp n LYS 719 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3kdp n LYS 720 N -0.81 0.40 -2.03 1.64 3.00 0.99 -4.86 118.16 116.49 3kdp n LYS 720 Ca 0.09 -0.29 -0.41 0.00 -0.00 0.00 0.00 58.31 57.70 3kdp n LYS 720 Cb 0.67 -0.76 -0.02 0.00 0.00 0.00 0.00 35.03 34.92 3kdp n LYS 720 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kdp s ALA 721 N -0.14 3.53 0.17 3.14 0.00 0.13 -4.90 121.76 123.70 3kdp s ALA 721 Ca 0.00 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 3kdp s ALA 721 Cb 0.00 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.73 3kdp s ALA 721 CO 0.00 -0.75 1.76 -0.44 0.00 0.00 0.00 175.76 176.33 3kdp h ASP 722 N 3.48 0.21 -3.84 0.00 3.32 -1.36 -3.39 116.42 114.84 3kdp h ASP 722 Ca -0.49 0.05 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 3kdp h ASP 722 Cb 1.23 0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.49 3kdp h ASP 722 CO 0.66 0.15 -0.77 -0.51 -1.72 0.00 0.00 179.24 177.05 3kdp s ILE 723 N -6.14 0.63 -0.20 0.35 2.07 -1.19 -4.87 121.20 111.85 3kdp s ILE 723 Ca -0.13 -0.29 -0.03 0.00 -1.41 0.00 0.00 60.65 58.79 3kdp s ILE 723 Cb 0.14 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 3kdp s ILE 723 CO 0.72 0.20 -0.07 -0.83 -1.91 0.00 0.00 174.94 173.05 3kdp s GLY 724 N 0.13 1.58 -0.19 1.50 0.00 -1.26 -2.44 107.32 106.63 3kdp s GLY 724 Ca -0.02 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 3kdp s GLY 724 CO 0.00 0.30 0.08 0.14 0.00 0.00 0.00 173.10 173.62 3kdp s VAL 725 N 1.25 4.88 0.25 1.40 1.01 0.74 0.04 120.40 129.97 3kdp s VAL 725 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3kdp s VAL 725 Cb -0.14 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.06 3kdp s VAL 725 CO -0.03 0.44 0.33 0.00 0.00 0.00 0.00 175.10 175.85 3kdp n ALA 726 N 3.66 0.52 -2.49 5.51 0.00 -0.94 -1.56 120.51 125.22 3kdp n ALA 726 Ca -0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 53.44 52.09 3kdp n ALA 726 Cb 0.52 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 20.11 3kdp n ALA 726 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kdp s MET 727 N -3.12 1.76 -0.06 0.00 1.00 -0.99 -3.46 119.30 114.43 3kdp s MET 727 Ca 0.25 -1.30 -0.09 0.00 0.00 0.00 0.00 55.69 54.55 3kdp s MET 727 Cb -0.02 -2.04 -0.05 0.00 0.00 0.00 0.00 34.83 32.72 3kdp s MET 727 CO 0.16 0.45 0.37 0.78 0.00 0.00 0.00 175.02 176.78 3kdp h GLY 728 N 3.41 -0.34 0.00 -0.03 0.00 -1.60 -3.29 103.07 101.21 3kdp h GLY 728 Ca -0.48 0.13 -0.34 0.00 0.00 0.00 0.00 47.33 46.64 3kdp h GLY 728 CO 0.48 -0.12 -2.27 0.29 0.00 0.00 0.00 176.54 174.92 3kdp n ILE 729 N -4.99 1.27 0.00 2.60 -5.35 -1.26 -4.48 119.36 107.15 3kdp n ILE 729 Ca -0.04 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3kdp n ILE 729 Cb 0.13 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 3kdp n ILE 729 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kdp n ALA 730 N -2.78 -0.19 -0.86 -1.28 0.00 -1.26 -4.90 120.51 109.24 3kdp n ALA 730 Ca -0.32 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 3kdp n ALA 730 Cb 1.06 0.07 0.02 0.00 0.00 0.00 0.00 19.45 20.60 3kdp n ALA 730 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdp n GLY 731 N -0.79 -1.96 3.55 0.00 0.00 -1.24 -5.00 105.19 99.76 3kdp n GLY 731 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3kdp n GLY 731 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kdp s SER 732 N -1.03 4.32 0.12 1.61 1.04 -0.53 -4.96 113.70 114.26 3kdp s SER 732 Ca 0.18 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 3kdp s SER 732 Cb 0.05 -0.86 0.17 0.00 0.10 0.00 0.00 66.02 65.47 3kdp s SER 732 CO 0.31 0.24 0.72 0.47 0.98 0.00 0.00 173.24 175.96 3kdp n ASP 733 N 1.23 -0.23 0.00 7.02 10.43 -1.26 -2.41 116.55 131.34 3kdp n ASP 733 Ca -0.15 0.80 0.00 0.00 2.57 0.00 0.00 54.79 58.02 3kdp n ASP 733 Cb 0.52 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 43.27 3kdp n ASP 733 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3kdp n VAL 734 N -4.73 0.00 0.00 2.53 0.31 -1.26 -1.26 118.33 113.92 3kdp n VAL 734 Ca 0.06 0.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 3kdp n VAL 734 Cb 0.21 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3kdp n VAL 734 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kdp n SER 735 N -0.27 0.00 0.20 4.52 3.41 -1.01 0.70 113.62 121.17 3kdp n SER 735 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3kdp n SER 735 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3kdp n SER 735 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kdp h LYS 736 N 0.00 -0.53 0.00 4.33 2.10 -1.53 -2.69 116.57 118.25 3kdp h LYS 736 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kdp h LYS 736 Cb 0.00 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3kdp h LYS 736 CO 0.00 -0.23 0.00 1.04 -2.00 0.00 0.00 179.45 178.26 3kdp n GLN 737 N -5.16 0.00 -0.97 0.07 1.13 0.22 0.22 117.38 112.88 3kdp n GLN 737 Ca -0.09 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.00 3kdp n GLN 737 Cb 0.28 -0.97 0.04 0.00 0.11 0.00 0.00 30.24 29.69 3kdp n GLN 737 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kdp n ALA 738 N -0.08 2.34 -2.48 -1.58 0.00 -0.86 -4.47 120.51 113.38 3kdp n ALA 738 Ca 0.00 -1.97 -0.23 0.00 0.00 0.00 0.00 53.44 51.24 3kdp n ALA 738 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 3kdp n ALA 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdp s ALA 739 N -0.46 2.57 -0.23 0.00 0.00 0.58 -3.78 121.76 120.44 3kdp s ALA 739 Ca 0.22 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 3kdp s ALA 739 Cb 0.24 0.65 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 3kdp s ALA 739 CO -0.09 -0.30 -0.32 -0.25 0.00 0.00 0.00 175.76 174.81 3kdp n ASP 740 N -0.84 1.75 -4.96 0.00 10.43 0.11 -4.88 116.55 118.15 3kdp n ASP 740 Ca -0.04 0.30 -0.22 0.00 2.57 0.00 0.00 54.79 57.40 3kdp n ASP 740 Cb 0.66 -0.72 -0.01 0.00 1.84 0.00 0.00 41.12 42.90 3kdp n ASP 740 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3kdp s MET 741 N -2.52 3.37 -0.44 -1.24 -1.94 -1.01 -0.99 119.30 114.53 3kdp s MET 741 Ca -0.33 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.11 3kdp s MET 741 Cb 0.11 -2.76 0.17 0.00 2.01 0.00 0.00 34.83 34.37 3kdp s MET 741 CO 0.42 0.19 0.50 0.42 -0.01 0.00 0.00 175.02 176.55 3kdp s ILE 742 N -2.20 -0.34 -0.79 2.53 1.01 -0.60 -2.20 121.20 118.60 3kdp s ILE 742 Ca 0.39 -1.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 3kdp s ILE 742 Cb -0.09 -0.62 -0.20 0.00 0.01 0.00 0.00 42.46 41.55 3kdp s ILE 742 CO 0.33 -0.61 2.08 0.18 0.00 0.00 0.00 174.94 176.92 3kdp n LEU 743 N 3.21 0.07 -0.16 2.97 4.77 -1.22 -3.37 117.00 123.26 3kdp n LEU 743 Ca 0.21 -1.31 0.28 0.00 -0.03 0.00 0.00 56.01 55.16 3kdp n LEU 743 Cb 0.51 -1.14 0.72 0.00 -2.33 0.00 0.00 43.42 41.18 3kdp n LEU 743 CO 0.04 -2.25 1.26 -0.07 -1.33 0.00 0.00 177.39 175.04 3kdp h LEU 744 N 16.74 0.00 -3.19 2.23 3.38 -1.74 0.77 115.31 133.51 3kdp h LEU 744 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kdp h LEU 744 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3kdp h LEU 744 CO 1.21 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.84 3kdp n ASP 745 N -4.24 4.40 -0.22 -0.43 5.68 -1.25 -4.49 116.55 116.00 3kdp n ASP 745 Ca 0.18 -2.58 -0.02 0.00 -0.50 0.00 0.00 54.79 51.87 3kdp n ASP 745 Cb 0.94 -0.53 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 3kdp n ASP 745 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kdp n ASP 746 N 0.58 -4.70 -4.61 -1.12 8.00 0.18 -4.91 116.55 109.96 3kdp n ASP 746 Ca 0.23 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 3kdp n ASP 746 Cb 0.86 -3.04 -0.02 0.00 -0.02 0.00 0.00 41.12 38.90 3kdp n ASP 746 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kdp s ASN 747 N -1.71 6.38 -0.06 -2.24 3.04 -1.26 -4.90 114.94 114.20 3kdp s ASN 747 Ca 0.00 1.13 0.02 0.00 0.04 0.00 0.00 52.86 54.05 3kdp s ASN 747 Cb 0.00 -2.54 0.15 0.00 -1.54 0.00 0.00 41.25 37.32 3kdp s ASN 747 CO 0.00 -1.34 0.91 0.33 -3.04 0.00 0.00 177.10 173.96 3kdp n PHE 748 N 8.60 0.47 -0.04 0.43 7.35 -1.26 -2.84 117.46 130.17 3kdp n PHE 748 Ca 0.17 -0.38 0.03 0.00 -0.76 0.00 0.00 57.45 56.51 3kdp n PHE 748 Cb 0.47 -0.26 -0.14 0.00 0.35 0.00 0.00 39.48 39.90 3kdp n PHE 748 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kdp n ALA 749 N 0.15 2.28 0.28 3.13 0.00 -1.26 -4.24 120.51 120.85 3kdp n ALA 749 Ca 0.08 -0.69 0.02 0.00 0.00 0.00 0.00 53.44 52.85 3kdp n ALA 749 Cb 0.54 -0.45 0.13 0.00 0.00 0.00 0.00 19.45 19.68 3kdp n ALA 749 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kdp n SER 750 N -2.32 0.00 0.05 0.00 7.64 -1.13 -0.00 113.62 117.86 3kdp n SER 750 Ca -0.12 -0.03 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 3kdp n SER 750 Cb 0.69 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 3kdp n SER 750 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3kdp h ILE 751 N 0.00 1.25 0.21 0.44 5.03 -1.81 -2.17 117.51 120.46 3kdp h ILE 751 Ca 0.00 -2.93 -0.01 0.00 -0.12 0.00 0.00 64.86 61.80 3kdp h ILE 751 Cb 0.01 2.75 0.00 0.00 -3.03 0.00 0.00 36.82 36.55 3kdp h ILE 751 CO 0.00 0.81 -0.10 0.58 -0.68 0.00 0.00 178.15 178.76 3kdp h VAL 752 N 0.05 0.73 -0.85 1.67 2.07 -0.70 -1.78 116.25 117.45 3kdp h VAL 752 Ca -0.19 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.48 3kdp h VAL 752 Cb 1.96 1.20 -0.15 0.00 -1.52 0.00 0.00 31.29 32.79 3kdp h VAL 752 CO 0.15 0.18 -0.30 0.74 0.02 0.00 0.00 177.57 178.36 3kdp h THR 753 N -0.88 0.10 -0.48 2.57 2.02 -1.54 -1.73 112.91 112.97 3kdp h THR 753 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 3kdp h THR 753 Cb 0.51 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3kdp h THR 753 CO 0.05 0.00 -0.02 1.23 0.37 0.00 0.00 175.52 177.15 3kdp h GLY 754 N -0.04 0.88 2.00 2.16 0.00 -1.45 -1.14 103.07 105.47 3kdp h GLY 754 Ca 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kdp h GLY 754 CO -0.88 0.56 0.00 1.55 0.00 0.00 0.00 176.54 177.77 3kdp n VAL 755 N -4.20 0.64 -0.08 4.60 3.14 -0.67 -2.07 118.33 119.70 3kdp n VAL 755 Ca 0.02 0.07 -0.07 0.00 -2.96 0.00 0.00 64.34 61.41 3kdp n VAL 755 Cb 0.32 -0.85 -0.03 0.00 -1.06 0.00 0.00 33.84 32.22 3kdp n VAL 755 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3kdp n GLU 756 N -1.88 0.47 0.33 1.45 2.13 -0.72 -3.60 120.64 118.82 3kdp n GLU 756 Ca 0.04 0.50 0.07 0.00 0.66 0.00 0.00 57.16 58.44 3kdp n GLU 756 Cb 0.28 -1.67 0.39 0.00 0.27 0.00 0.00 31.44 30.70 3kdp n GLU 756 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3kdp h GLU 757 N -1.00 0.00 0.00 5.31 4.39 -1.24 0.72 114.58 122.76 3kdp h GLU 757 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kdp h GLU 757 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3kdp h GLU 757 CO -0.03 0.00 -1.01 0.41 -1.16 0.00 0.00 179.01 177.22 3kdp n GLY 758 N -1.37 -1.06 0.14 -3.84 0.00 -0.88 -2.79 105.19 95.40 3kdp n GLY 758 Ca -0.01 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3kdp n GLY 758 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdp h ARG 759 N 0.00 0.00 0.12 1.61 3.08 0.40 -3.32 114.38 116.27 3kdp h ARG 759 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3kdp h ARG 759 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3kdp h ARG 759 CO 0.00 0.00 -1.69 1.25 -1.07 0.00 0.00 179.97 178.46 3kdp h LEU 760 N 0.00 0.41 -2.79 3.04 6.46 -1.56 -3.18 115.31 117.70 3kdp h LEU 760 Ca -0.00 -0.88 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 3kdp h LEU 760 Cb 1.01 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3kdp h LEU 760 CO 0.00 1.74 0.07 -0.29 -0.62 0.00 0.00 178.44 179.34 3kdp h ILE 761 N -0.14 0.02 0.22 4.05 6.09 -1.67 0.67 117.51 126.75 3kdp h ILE 761 Ca -0.36 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 3kdp h ILE 761 Cb 1.90 0.93 0.00 0.00 0.47 0.00 0.00 36.82 40.12 3kdp h ILE 761 CO 0.07 0.00 -0.10 0.15 -3.07 0.00 0.00 178.15 175.20 3kdp h PHE 762 N 0.00 -0.27 -0.49 2.19 3.57 -1.65 -2.12 116.94 118.17 3kdp h PHE 762 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3kdp h PHE 762 Cb 0.14 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 3kdp h PHE 762 CO 0.00 -0.17 -0.49 -0.44 -2.23 0.00 0.00 178.31 174.99 3kdp h ASP 763 N -0.70 -1.64 0.00 0.41 5.19 -1.46 -0.17 116.42 118.05 3kdp h ASP 763 Ca -0.03 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3kdp h ASP 763 Cb 0.22 0.71 0.00 0.00 0.18 0.00 0.00 39.33 40.44 3kdp h ASP 763 CO 0.05 -0.37 0.00 0.59 -3.12 0.00 0.00 179.24 176.39 3kdp n ASN 764 N -5.39 0.00 -0.10 6.45 4.13 0.20 -0.00 115.26 120.55 3kdp n ASN 764 Ca -0.01 -0.40 -0.10 0.00 1.68 0.00 0.00 54.58 55.76 3kdp n ASN 764 Cb 0.34 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.43 3kdp n ASN 764 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kdp n LEU 765 N -0.94 0.00 0.22 3.41 4.77 -0.15 -3.03 117.00 121.28 3kdp n LEU 765 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 3kdp n LEU 765 Cb 0.03 0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3kdp n LEU 765 CO 0.06 0.49 0.51 0.11 -1.33 0.00 0.00 177.39 177.22 3kdp h LYS 766 N 0.00 -0.55 -0.17 3.23 1.57 0.37 -0.69 116.57 120.33 3kdp h LYS 766 Ca -0.53 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 3kdp h LYS 766 Cb 2.21 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 34.58 3kdp h LYS 766 CO 0.03 -0.24 -0.38 0.87 -0.57 0.00 0.00 179.45 179.15 3kdp h LYS 767 N -0.89 -0.42 -0.69 3.15 1.57 -1.37 0.24 116.57 118.17 3kdp h LYS 767 Ca -0.06 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 3kdp h LYS 767 Cb 0.56 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3kdp h LYS 767 CO 0.10 -0.28 0.48 1.03 -0.57 0.00 0.00 179.45 180.20 3kdp h SER 768 N -0.43 0.19 0.00 0.86 0.87 -1.53 -2.23 113.55 111.28 3kdp h SER 768 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kdp h SER 768 Cb 0.59 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3kdp h SER 768 CO -0.41 0.09 -0.01 0.40 -0.53 0.00 0.00 176.83 176.38 3kdp h ILE 769 N 0.20 0.00 -0.03 2.23 2.04 0.21 -3.19 117.51 118.97 3kdp h ILE 769 Ca 0.34 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kdp h ILE 769 Cb 1.04 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3kdp h ILE 769 CO -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.07 3kdp n ALA 770 N -2.66 -0.02 -0.36 1.87 0.00 0.72 0.67 120.51 120.73 3kdp n ALA 770 Ca -0.00 0.02 0.26 0.00 0.00 0.00 0.00 53.44 53.72 3kdp n ALA 770 Cb 0.00 0.26 0.51 0.00 0.00 0.00 0.00 19.45 20.22 3kdp n ALA 770 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3kdp h TYR 771 N 0.00 0.77 0.18 0.00 3.20 -1.57 0.72 116.97 120.27 3kdp h TYR 771 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kdp h TYR 771 Cb 0.01 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3kdp h TYR 771 CO -0.52 -0.09 -0.09 1.15 -1.64 0.00 0.00 178.16 176.97 3kdp h THR 772 N 0.32 0.00 -0.98 1.81 2.02 0.25 -3.33 112.91 113.00 3kdp h THR 772 Ca 0.71 -0.08 0.23 0.00 0.77 0.00 0.00 66.41 68.04 3kdp h THR 772 Cb 1.78 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.07 3kdp h THR 772 CO -0.46 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 175.92 3kdp h LEU 773 N -0.33 0.64 -0.83 2.58 3.38 0.98 -2.05 115.31 119.68 3kdp h LEU 773 Ca -0.03 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.23 3kdp h LEU 773 Cb 0.19 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3kdp h LEU 773 CO 0.04 0.12 0.40 0.71 0.09 0.00 0.00 178.44 179.80 3kdp h THR 774 N 0.58 0.68 0.00 0.22 1.35 0.26 0.51 112.91 116.51 3kdp h THR 774 Ca 0.62 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 3kdp h THR 774 Cb 1.13 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3kdp h THR 774 CO -0.47 0.10 0.00 -1.54 -0.25 0.00 0.00 175.52 173.36 3kdp n SER 775 N -4.93 0.00 0.15 5.36 3.41 -0.77 -2.92 113.62 113.92 3kdp n SER 775 Ca 0.17 -0.48 -0.01 0.00 -0.26 0.00 0.00 58.87 58.30 3kdp n SER 775 Cb 0.46 -0.14 0.21 0.00 -0.26 0.00 0.00 64.21 64.48 3kdp n SER 775 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3kdp h ASN 776 N 0.00 0.01 -0.05 4.04 -1.24 -0.95 -3.34 115.58 114.05 3kdp h ASN 776 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3kdp h ASN 776 Cb 0.12 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.17 3kdp h ASN 776 CO 0.00 0.57 0.01 0.40 -1.29 0.00 0.00 177.43 177.12 3kdp h ILE 777 N 0.01 1.20 0.00 2.57 1.08 -1.67 -2.67 117.51 118.03 3kdp h ILE 777 Ca -0.01 -0.60 -0.09 0.00 -0.39 0.00 0.00 64.86 63.77 3kdp h ILE 777 Cb 1.00 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 3kdp h ILE 777 CO 0.07 0.16 -0.11 -0.81 -0.69 0.00 0.00 178.15 176.78 3kdp n PRO 778 N -4.92 1.23 0.00 2.37 -0.04 -1.25 -2.17 135.00 130.21 3kdp n PRO 778 Ca -0.07 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 3kdp n PRO 778 Cb 0.15 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 3kdp n PRO 778 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kdp n GLU 779 N 2.27 0.00 -0.05 0.54 1.02 -1.03 -4.89 120.64 118.51 3kdp n GLU 779 Ca 0.21 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 3kdp n GLU 779 Cb 0.57 -0.38 -0.08 0.00 -0.02 0.00 0.00 31.44 31.54 3kdp n GLU 779 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kdp h ILE 780 N 0.00 1.02 -1.00 -3.67 2.04 -1.18 -3.38 117.51 111.34 3kdp h ILE 780 Ca 0.00 -1.71 0.24 0.00 1.00 0.00 0.00 64.86 64.39 3kdp h ILE 780 Cb 0.00 1.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 3kdp h ILE 780 CO 0.00 0.34 0.64 0.71 0.00 0.00 0.00 178.15 179.84 3kdp h THR 781 N -0.98 0.59 0.06 -0.27 1.35 -1.77 -1.16 112.91 110.73 3kdp h THR 781 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3kdp h THR 781 Cb 0.57 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 3kdp h THR 781 CO 0.00 0.09 -0.13 -0.65 -0.25 0.00 0.00 175.52 174.58 3kdp h PRO 782 N 0.48 -0.19 0.00 4.72 0.11 -1.85 0.12 132.00 135.38 3kdp h PRO 782 Ca 0.57 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3kdp h PRO 782 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3kdp h PRO 782 CO -0.30 -0.13 0.49 0.74 -0.21 0.00 0.00 178.00 178.59 3kdp h PHE 783 N -0.20 0.00 0.15 0.65 0.04 -1.57 -0.28 116.94 115.73 3kdp h PHE 783 Ca -0.01 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 3kdp h PHE 783 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3kdp h PHE 783 CO -0.26 0.00 -1.55 -0.07 -0.60 0.00 0.00 178.31 175.83 3kdp h LEU 784 N 0.00 0.51 0.00 1.54 3.38 0.06 -3.32 115.31 117.48 3kdp h LEU 784 Ca 0.00 -0.67 -0.21 0.00 0.09 0.00 0.00 57.88 57.09 3kdp h LEU 784 Cb 0.98 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3kdp h LEU 784 CO 0.00 1.55 -1.02 0.40 0.09 0.00 0.00 178.44 179.47 3kdp h ILE 785 N 0.09 1.61 -0.43 1.22 5.03 0.69 -2.88 117.51 122.84 3kdp h ILE 785 Ca -0.26 -3.30 0.12 0.00 -0.12 0.00 0.00 64.86 61.30 3kdp h ILE 785 Cb 2.05 2.79 -0.02 0.00 -3.03 0.00 0.00 36.82 38.62 3kdp h ILE 785 CO 0.18 0.92 0.61 0.15 -0.68 0.00 0.00 178.15 179.33 3kdp h PHE 786 N 0.00 0.00 0.04 1.37 3.57 -1.21 0.85 116.94 121.56 3kdp h PHE 786 Ca -0.03 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.10 3kdp h PHE 786 Cb 1.76 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.45 3kdp h PHE 786 CO 0.00 0.00 -2.26 -0.89 -2.23 0.00 0.00 178.31 172.93 3kdp n ILE 787 N -3.38 1.57 0.00 1.41 2.08 -1.19 -4.22 119.36 115.62 3kdp n ILE 787 Ca 0.08 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.73 3kdp n ILE 787 Cb 0.78 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 3kdp n ILE 787 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kdp n ILE 788 N -3.22 0.00 -1.84 1.39 2.08 0.27 -4.24 119.36 113.80 3kdp n ILE 788 Ca -0.37 0.90 -0.35 0.00 0.56 0.00 0.00 62.75 63.49 3kdp n ILE 788 Cb 1.04 -1.73 -0.01 0.00 -0.75 0.00 0.00 39.64 38.20 3kdp n ILE 788 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kdp n ALA 789 N -0.99 6.49 -0.25 -1.39 0.00 0.40 -4.88 120.51 119.88 3kdp n ALA 789 Ca 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.71 3kdp n ALA 789 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3kdp n ALA 789 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdp n ASN 790 N 0.40 0.00 -4.91 0.00 4.13 -1.26 -4.05 115.26 109.57 3kdp n ASN 790 Ca 0.52 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.51 3kdp n ASN 790 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 3kdp n ASN 790 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kdp s ILE 791 N -0.32 4.67 -0.11 2.41 1.01 -1.26 -1.50 121.20 126.10 3kdp s ILE 791 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 3kdp s ILE 791 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3kdp s ILE 791 CO 0.00 -0.76 1.55 -2.84 0.00 0.00 0.00 174.94 172.89 3kdp s PRO 792 N -4.77 4.12 -0.61 2.79 0.02 -1.26 -4.55 135.00 130.74 3kdp s PRO 792 Ca 0.48 1.96 -0.38 0.00 0.02 0.00 0.00 61.00 63.07 3kdp s PRO 792 Cb -0.10 -3.94 -0.18 0.00 0.02 0.00 0.00 34.50 30.29 3kdp s PRO 792 CO 0.45 -0.90 2.31 -0.11 -0.33 0.00 0.00 177.00 178.41 3kdp n LEU 793 N 7.27 0.89 -0.06 -5.54 7.94 -1.26 -4.86 117.00 121.38 3kdp n LEU 793 Ca 0.17 0.46 -0.12 0.00 -1.11 0.00 0.00 56.01 55.41 3kdp n LEU 793 Cb 0.44 -0.99 -0.06 0.00 0.53 0.00 0.00 43.42 43.35 3kdp n LEU 793 CO 0.61 -0.78 0.74 -0.65 -1.11 0.00 0.00 177.39 176.20 3kdp h PRO 794 N 10.72 0.32 -5.09 1.96 0.11 -1.90 -3.43 132.00 134.69 3kdp h PRO 794 Ca -0.12 -0.11 -0.66 0.00 0.11 0.00 0.00 66.00 65.23 3kdp h PRO 794 Cb 1.37 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 32.11 3kdp h PRO 794 CO 1.16 0.55 -0.86 -1.17 -0.21 0.00 0.00 178.00 177.47 3kdp s LEU 795 N -9.47 2.04 0.20 2.35 2.96 -1.26 -2.64 118.68 112.86 3kdp s LEU 795 Ca -0.14 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3kdp s LEU 795 Cb 0.06 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3kdp s LEU 795 CO 0.73 0.05 0.39 -0.83 -1.32 0.00 0.00 176.35 175.37 3kdp s GLY 796 N 0.96 1.82 0.02 7.98 0.00 -1.26 -4.69 107.32 112.15 3kdp s GLY 796 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 3kdp s GLY 796 CO -0.04 -0.76 1.13 -0.84 0.00 0.00 0.00 173.10 172.58 3kdp h THR 797 N 1.56 0.00 -0.01 0.90 2.02 -1.95 0.17 112.91 115.60 3kdp h THR 797 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3kdp h THR 797 Cb 1.19 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3kdp h THR 797 CO 0.68 0.00 0.50 1.62 0.37 0.00 0.00 175.52 178.69 3kdp h VAL 798 N -0.19 0.00 -0.04 3.16 3.04 -1.96 1.88 116.25 122.14 3kdp h VAL 798 Ca -0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.49 3kdp h VAL 798 Cb 0.18 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 29.96 3kdp h VAL 798 CO -0.06 0.00 -0.80 0.74 -1.01 0.00 0.00 177.57 176.44 3kdp h THR 799 N 0.00 1.41 -0.28 3.17 2.02 -1.01 -3.34 112.91 114.88 3kdp h THR 799 Ca 0.00 -2.29 -0.10 0.00 0.77 0.00 0.00 66.41 64.79 3kdp h THR 799 Cb 1.00 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3kdp h THR 799 CO -0.00 0.68 -0.20 0.40 0.37 0.00 0.00 175.52 176.77 3kdp h ILE 800 N 0.23 1.30 0.00 3.11 2.04 0.38 -2.66 117.51 121.91 3kdp h ILE 800 Ca -0.04 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.48 3kdp h ILE 800 Cb 1.40 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3kdp h ILE 800 CO 0.13 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.89 3kdp n LEU 801 N -4.36 0.00 0.00 1.44 4.77 -1.18 -0.15 117.00 117.52 3kdp n LEU 801 Ca -0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3kdp n LEU 801 Cb 0.41 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3kdp n LEU 801 CO 0.43 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.30 3kdp n ILE 803 N -1.06 0.00 0.58 0.00 2.08 0.79 -1.44 119.36 120.32 3kdp n ILE 803 Ca 0.00 0.46 0.13 0.00 0.56 0.00 0.00 62.75 63.90 3kdp n ILE 803 Cb 0.00 -1.22 0.38 0.00 -0.75 0.00 0.00 39.64 38.05 3kdp n ILE 803 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 3kdp h ASP 804 N 0.00 0.00 0.08 4.38 3.04 -1.88 0.84 116.42 122.89 3kdp h ASP 804 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 3kdp h ASP 804 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3kdp h ASP 804 CO 0.00 0.00 -1.93 0.18 -2.04 0.00 0.00 179.24 175.45 3kdp n LEU 805 N -2.35 0.07 0.00 0.15 4.32 -1.26 -3.61 117.00 114.33 3kdp n LEU 805 Ca 0.05 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 3kdp n LEU 805 Cb 0.44 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3kdp n LEU 805 CO 0.31 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 3kdp n GLY 806 N 1.27 0.41 0.26 -0.72 0.00 -1.11 -4.74 105.19 100.57 3kdp n GLY 806 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3kdp n GLY 806 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kdp h THR 807 N 0.00 1.03 -0.00 2.61 1.35 -0.95 -3.22 112.91 113.72 3kdp h THR 807 Ca 0.00 -0.26 -0.19 0.00 -0.55 0.00 0.00 66.41 65.41 3kdp h THR 807 Cb 0.00 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.60 3kdp h THR 807 CO 0.00 0.14 -0.84 0.44 -0.25 0.00 0.00 175.52 175.01 3kdp h ASP 808 N 0.76 0.17 0.00 5.36 5.19 0.49 -3.37 116.42 125.02 3kdp h ASP 808 Ca 0.29 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3kdp h ASP 808 Cb 0.11 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3kdp h ASP 808 CO -0.15 0.93 0.00 0.23 -3.12 0.00 0.00 179.24 177.13 3kdp n MET 809 N -3.64 0.00 -0.23 3.56 2.81 -1.22 -2.18 117.12 116.22 3kdp n MET 809 Ca -0.03 0.41 -0.00 0.00 -1.81 0.00 0.00 57.70 56.27 3kdp n MET 809 Cb 0.79 -0.86 0.07 0.00 -0.71 0.00 0.00 33.22 32.50 3kdp n MET 809 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3kdp h VAL 810 N 0.00 0.28 -0.10 2.03 2.07 -1.78 0.86 116.25 119.61 3kdp h VAL 810 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3kdp h VAL 810 Cb 0.00 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3kdp h VAL 810 CO 0.00 0.00 0.08 -0.65 0.02 0.00 0.00 177.57 177.02 3kdp h PRO 811 N -0.03 0.00 0.04 1.57 0.11 -1.72 -2.39 132.00 129.59 3kdp h PRO 811 Ca 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3kdp h PRO 811 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3kdp h PRO 811 CO -0.71 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.05 3kdp h ALA 812 N 1.93 -0.06 -1.66 -0.75 0.00 -0.34 -3.09 119.26 115.29 3kdp h ALA 812 Ca 0.05 -0.27 0.51 0.00 0.00 0.00 0.00 54.91 55.19 3kdp h ALA 812 Cb 0.22 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3kdp h ALA 812 CO -0.00 -0.09 1.16 -0.89 0.00 0.00 0.00 179.25 179.43 3kdp n ILE 813 N -4.75 -0.09 0.22 0.00 -0.00 -0.87 -1.30 119.36 112.57 3kdp n ILE 813 Ca -0.06 1.51 0.11 0.00 -0.00 0.00 0.00 62.75 64.30 3kdp n ILE 813 Cb 0.28 -2.49 0.31 0.00 -0.00 0.00 0.00 39.64 37.73 3kdp n ILE 813 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3kdp h SER 814 N 0.00 0.00 -0.13 4.38 4.64 -1.34 -3.10 113.55 118.00 3kdp h SER 814 Ca 0.86 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 62.04 3kdp h SER 814 Cb 3.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 65.32 3kdp h SER 814 CO -0.17 0.15 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.46 3kdp h LEU 815 N 0.00 0.72 -0.81 5.97 -0.00 -1.30 -2.84 115.31 117.05 3kdp h LEU 815 Ca -0.00 -0.33 0.10 0.00 -0.00 0.00 0.00 57.88 57.65 3kdp h LEU 815 Cb 0.92 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 3kdp h LEU 815 CO 0.02 1.05 0.91 0.00 -0.00 0.00 0.00 178.44 180.42 3kdp h ALA 816 N 0.98 2.21 -0.46 1.53 0.00 -1.64 1.49 119.26 123.38 3kdp h ALA 816 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kdp h ALA 816 Cb 0.96 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3kdp h ALA 816 CO 0.09 -1.10 0.15 0.66 0.00 0.00 0.00 179.25 179.05 3kdp n TYR 817 N -2.90 1.54 -3.43 0.00 4.01 -1.07 -4.94 117.16 110.36 3kdp n TYR 817 Ca 0.07 -0.77 -0.39 0.00 -0.16 0.00 0.00 57.90 56.65 3kdp n TYR 817 Cb 1.03 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 39.49 3kdp n TYR 817 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kdp s GLU 818 N -2.10 3.86 1.21 -0.72 0.41 0.51 -4.99 118.70 116.89 3kdp s GLU 818 Ca 0.35 -0.17 -0.18 0.00 -0.41 0.00 0.00 54.97 54.56 3kdp s GLU 818 Cb 0.28 -3.70 0.25 0.00 -1.78 0.00 0.00 34.13 29.17 3kdp s GLU 818 CO 0.09 -0.34 0.54 1.04 -0.49 0.00 0.00 175.26 176.10 3kdp n GLN 819 N 5.30 -3.03 0.00 1.61 6.02 -1.26 -4.91 117.38 121.11 3kdp n GLN 819 Ca -0.10 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.01 3kdp n GLN 819 Cb 0.51 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.99 3kdp n GLN 819 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kdp n ALA 820 N -4.98 0.00 -1.28 -1.58 0.00 -1.26 -5.04 120.51 106.38 3kdp n ALA 820 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kdp n ALA 820 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3kdp n ALA 820 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kdp n GLU 821 N 0.00 0.00 -3.96 0.00 1.02 -1.26 -5.11 120.64 111.32 3kdp n GLU 821 Ca 0.00 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3kdp n GLU 821 Cb 0.00 -0.36 0.01 0.00 -0.02 0.00 0.00 31.44 31.07 3kdp n GLU 821 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kdp s SER 822 N 0.00 -0.00 -1.02 1.62 1.04 -1.26 -5.00 113.70 109.08 3kdp s SER 822 Ca 0.00 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.11 3kdp s SER 822 Cb 0.00 0.05 -0.13 0.00 0.10 0.00 0.00 66.02 66.04 3kdp s SER 822 CO 0.00 -0.11 2.09 -0.62 0.98 0.00 0.00 173.24 175.59 3kdp s ASP 823 N -3.80 4.30 0.18 7.02 -1.08 -1.26 -4.75 116.67 117.29 3kdp s ASP 823 Ca 0.29 -0.91 -0.13 0.00 -0.52 0.00 0.00 52.55 51.29 3kdp s ASP 823 Cb 0.01 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 39.03 3kdp s ASP 823 CO -0.03 -3.72 1.80 0.16 0.52 0.00 0.00 175.17 173.90 3kdp h ILE 824 N 6.86 0.99 0.00 4.11 3.07 -1.97 -1.84 117.51 128.73 3kdp h ILE 824 Ca 0.08 -0.19 -0.01 0.00 1.55 0.00 0.00 64.86 66.29 3kdp h ILE 824 Cb 0.98 0.37 -0.00 0.00 -0.27 0.00 0.00 36.82 37.90 3kdp h ILE 824 CO 1.11 0.10 0.01 0.23 -1.05 0.00 0.00 178.15 178.55 3kdp n MET 825 N -4.84 0.54 -0.14 0.16 2.81 -1.26 -0.90 117.12 113.49 3kdp n MET 825 Ca 0.05 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3kdp n MET 825 Cb 0.12 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3kdp n MET 825 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3kdp n LYS 826 N 1.85 0.00 -4.88 0.03 3.00 -0.69 -3.83 118.16 113.64 3kdp n LYS 826 Ca 0.02 -0.49 -0.27 0.00 -0.00 0.00 0.00 58.31 57.58 3kdp n LYS 826 Cb 0.27 -0.38 -0.15 0.00 0.00 0.00 0.00 35.03 34.76 3kdp n LYS 826 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3kdp s ARG 827 N 0.00 1.58 0.79 1.64 1.70 -0.07 -4.96 118.95 119.63 3kdp s ARG 827 Ca 0.00 -0.83 -0.16 0.00 -0.47 0.00 0.00 55.73 54.27 3kdp s ARG 827 Cb 0.00 -1.60 -0.06 0.00 -0.57 0.00 0.00 34.95 32.72 3kdp s ARG 827 CO 0.00 0.43 0.16 1.04 -1.08 0.00 0.00 175.30 175.85 3kdp n GLN 828 N 2.27 0.08 -2.35 3.89 1.13 -1.26 -4.67 117.38 116.48 3kdp n GLN 828 Ca -0.16 0.06 -0.39 0.00 -1.94 0.00 0.00 57.00 54.57 3kdp n GLN 828 Cb 0.53 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3kdp n GLN 828 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3kdp s PRO 829 N -2.56 4.29 1.07 -1.09 0.02 -1.25 -4.98 135.00 130.50 3kdp s PRO 829 Ca 0.58 1.85 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 3kdp s PRO 829 Cb -0.31 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3kdp s PRO 829 CO 0.66 -0.12 -0.49 2.89 -0.33 0.00 0.00 177.00 179.61 3kdp n ARG 830 N 0.50 -1.00 -3.62 5.54 1.85 -1.26 -4.96 116.66 113.70 3kdp n ARG 830 Ca 0.02 -0.28 -0.27 0.00 -1.00 0.00 0.00 57.85 56.32 3kdp n ARG 830 Cb 0.46 -1.47 -0.11 0.00 -1.05 0.00 0.00 32.46 30.29 3kdp n ARG 830 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3kdp n ASN 831 N 0.10 1.21 0.00 2.89 2.85 -1.26 -4.89 115.26 116.16 3kdp n ASN 831 Ca -0.00 -2.78 0.00 0.00 -0.11 0.00 0.00 54.58 51.69 3kdp n ASN 831 Cb 0.66 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 41.03 3kdp n ASN 831 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3kdp n PRO 832 N 2.37 0.00 -0.06 1.20 -0.02 -1.26 -0.72 135.00 136.51 3kdp n PRO 832 Ca 0.25 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 3kdp n PRO 832 Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.83 3kdp n PRO 832 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kdp h LYS 833 N 0.00 -0.01 0.00 -0.52 1.79 -1.96 -3.46 116.57 112.41 3kdp h LYS 833 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kdp h LYS 833 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kdp h LYS 833 CO 0.00 0.51 0.00 2.41 -1.08 0.00 0.00 179.45 181.29 3kdp n THR 834 N -4.70 0.00 -2.45 -0.16 -1.04 0.10 -4.76 114.28 101.27 3kdp n THR 834 Ca -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 3kdp n THR 834 Cb 0.25 -1.78 0.02 0.00 -1.82 0.00 0.00 70.33 67.00 3kdp n THR 834 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3kdp n ASP 835 N -2.98 -3.16 -4.46 8.00 5.75 -1.26 -4.63 116.55 113.81 3kdp n ASP 835 Ca 0.00 -0.09 -0.25 0.00 -0.01 0.00 0.00 54.79 54.43 3kdp n ASP 835 Cb 0.00 -0.92 0.14 0.00 -1.03 0.00 0.00 41.12 39.32 3kdp n ASP 835 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3kdp s LYS 836 N -1.40 1.22 -0.01 0.11 -0.14 -1.26 -4.62 119.74 113.64 3kdp s LYS 836 Ca 0.22 -1.06 -0.22 0.00 -1.36 0.00 0.00 55.97 53.55 3kdp s LYS 836 Cb -0.02 -2.20 -0.14 0.00 -1.68 0.00 0.00 37.83 33.79 3kdp s LYS 836 CO 0.50 -1.83 0.99 1.25 -0.76 0.00 0.00 175.35 175.50 3kdp h LEU 837 N -0.90 -0.43 -8.95 3.17 5.85 -1.94 -3.42 115.31 108.69 3kdp h LEU 837 Ca -0.37 -0.13 -0.64 0.00 0.84 0.00 0.00 57.88 57.58 3kdp h LEU 837 Cb 1.25 0.11 -0.20 0.00 0.37 0.00 0.00 40.66 42.19 3kdp h LEU 837 CO 0.36 -0.00 -0.65 -0.69 -0.34 0.00 0.00 178.44 177.12 3kdp s VAL 838 N -4.09 4.06 0.32 1.05 1.01 -1.26 -4.90 120.40 116.59 3kdp s VAL 838 Ca -0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3kdp s VAL 838 Cb 0.01 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3kdp s VAL 838 CO 0.44 0.51 0.52 0.54 0.00 0.00 0.00 175.10 177.10 3kdp s ASN 839 N 0.16 0.52 0.14 3.32 4.22 -1.26 -4.87 114.94 117.16 3kdp s ASN 839 Ca -0.00 -1.30 -0.27 0.00 -2.14 0.00 0.00 52.86 49.15 3kdp s ASN 839 Cb -0.13 0.67 -0.06 0.00 1.28 0.00 0.00 41.25 43.01 3kdp s ASN 839 CO 0.02 -1.31 1.42 -1.84 -2.04 0.00 0.00 177.10 173.35 3kdp n GLU 840 N -0.51 -0.38 0.33 3.55 0.00 -1.26 0.78 120.64 123.16 3kdp n GLU 840 Ca -0.01 1.40 0.21 0.00 0.00 0.00 0.00 57.16 58.76 3kdp n GLU 840 Cb 0.61 -2.06 1.15 0.00 0.00 0.00 0.00 31.44 31.14 3kdp n GLU 840 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3kdp h GLN 841 N 0.00 0.00 0.00 3.44 4.20 -1.88 -1.13 115.11 119.73 3kdp h GLN 841 Ca 0.14 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 3kdp h GLN 841 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3kdp h GLN 841 CO -0.80 0.00 -0.98 1.25 -0.67 0.00 0.00 178.83 177.63 3kdp h LEU 842 N 0.00 0.00 -0.86 1.46 6.46 0.06 -3.38 115.31 119.05 3kdp h LEU 842 Ca 0.00 -0.50 0.11 0.00 -0.12 0.00 0.00 57.88 57.36 3kdp h LEU 842 Cb 0.08 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 3kdp h LEU 842 CO -0.00 1.32 0.49 0.40 -0.62 0.00 0.00 178.44 180.03 3kdp h ILE 843 N -1.00 0.89 0.00 4.05 1.08 -0.87 0.42 117.51 122.08 3kdp h ILE 843 Ca -0.26 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3kdp h ILE 843 Cb 1.14 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3kdp h ILE 843 CO -0.15 0.15 0.18 -0.24 -0.69 0.00 0.00 178.15 177.39 3kdp n SER 844 N -4.74 0.00 0.00 1.72 2.88 -0.45 -1.47 113.62 111.57 3kdp n SER 844 Ca 0.15 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3kdp n SER 844 Cb 0.31 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 3kdp n SER 844 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3kdp n MET 845 N -1.01 0.00 0.15 -1.46 2.81 0.14 -3.42 117.12 114.33 3kdp n MET 845 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 3kdp n MET 845 Cb 0.18 -0.56 0.10 0.00 -0.71 0.00 0.00 33.22 32.24 3kdp n MET 845 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdp h ALA 846 N 0.00 0.74 0.00 3.04 0.00 -1.14 -2.31 119.26 119.59 3kdp h ALA 846 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kdp h ALA 846 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kdp h ALA 846 CO 0.00 0.60 -0.55 0.66 0.00 0.00 0.00 179.25 179.96 3kdp n TYR 847 N -3.30 0.00 0.26 0.00 4.02 -0.54 -2.95 117.16 114.66 3kdp n TYR 847 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 3kdp n TYR 847 Cb 0.68 -0.27 0.68 0.00 -0.02 0.00 0.00 39.34 40.41 3kdp n TYR 847 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kdp h GLY 848 N -0.55 0.00 0.00 2.72 0.00 -1.62 -3.29 103.07 100.33 3kdp h GLY 848 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kdp h GLY 848 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 3kdp n GLN 849 N -4.22 0.00 -0.05 4.80 6.02 -1.18 -4.63 117.38 118.13 3kdp n GLN 849 Ca -0.03 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.13 3kdp n GLN 849 Cb 0.14 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.66 3kdp n GLN 849 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3kdp n ILE 850 N 0.00 0.00 -0.04 5.09 -0.00 -0.88 0.32 119.36 123.86 3kdp n ILE 850 Ca 0.00 0.98 -0.15 0.00 -0.00 0.00 0.00 62.75 63.58 3kdp n ILE 850 Cb 0.00 -1.80 -0.08 0.00 -0.00 0.00 0.00 39.64 37.75 3kdp n ILE 850 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3kdp h GLY 851 N 0.00 0.46 0.94 7.39 0.00 -1.62 -2.74 103.07 107.50 3kdp h GLY 851 Ca 0.29 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3kdp h GLY 851 CO -0.00 0.54 -0.47 -0.33 0.00 0.00 0.00 176.54 176.28 3kdp h MET 852 N -0.01 -1.20 -1.24 4.80 2.86 -0.20 -2.90 114.93 117.05 3kdp h MET 852 Ca -0.01 0.08 0.36 0.00 -2.06 0.00 0.00 59.70 58.07 3kdp h MET 852 Cb 0.98 0.27 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 3kdp h MET 852 CO 0.07 -0.80 0.89 0.82 1.06 0.00 0.00 176.91 178.96 3kdp h ILE 853 N -1.24 0.38 0.00 -1.22 2.04 -1.61 1.23 117.51 117.09 3kdp h ILE 853 Ca -0.12 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3kdp h ILE 853 Cb 0.97 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3kdp h ILE 853 CO 0.17 0.00 -0.29 1.56 0.00 0.00 0.00 178.15 179.60 3kdp h GLN 854 N 0.02 0.00 0.08 2.37 4.20 -1.27 -3.07 115.11 117.44 3kdp h GLN 854 Ca 0.60 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 59.01 3kdp h GLN 854 Cb 2.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 30.11 3kdp h GLN 854 CO -0.02 0.29 -1.61 0.00 -0.67 0.00 0.00 178.83 176.81 3kdp h ALA 855 N 1.71 0.32 -1.24 3.87 0.00 0.15 -2.74 119.26 121.34 3kdp h ALA 855 Ca -0.00 -1.27 0.36 0.00 0.00 0.00 0.00 54.91 53.99 3kdp h ALA 855 Cb 0.68 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3kdp h ALA 855 CO 0.04 0.99 0.86 -0.07 0.00 0.00 0.00 179.25 181.07 3kdp h LEU 856 N -0.41 0.14 0.00 0.00 3.38 -1.41 0.61 115.31 117.62 3kdp h LEU 856 Ca -0.37 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3kdp h LEU 856 Cb 1.71 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3kdp h LEU 856 CO -0.03 0.00 -0.90 1.23 0.09 0.00 0.00 178.44 178.82 3kdp h GLY 857 N 0.11 0.00 1.29 0.83 0.00 -1.58 -2.99 103.07 100.73 3kdp h GLY 857 Ca 0.64 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.64 3kdp h GLY 857 CO -0.13 0.00 -1.48 -1.33 0.00 0.00 0.00 176.54 173.61 3kdp h GLY 858 N 3.79 0.50 0.61 4.60 0.00 0.37 -3.33 103.07 109.61 3kdp h GLY 858 Ca -0.06 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 45.99 3kdp h GLY 858 CO 0.03 1.11 -0.12 0.74 0.00 0.00 0.00 176.54 178.30 3kdp h PHE 859 N 0.12 -0.32 -1.44 5.60 0.05 -0.80 -3.31 116.94 116.83 3kdp h PHE 859 Ca -0.24 -0.01 0.42 0.00 3.82 0.00 0.00 57.97 61.96 3kdp h PHE 859 Cb 2.10 0.11 -0.06 0.00 2.00 0.00 0.00 35.95 40.10 3kdp h PHE 859 CO 0.10 0.03 1.12 0.34 -0.18 0.00 0.00 178.31 179.72 3kdp n PHE 860 N -5.08 0.00 -0.08 -0.55 7.35 -1.13 0.72 117.46 118.69 3kdp n PHE 860 Ca -0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.51 3kdp n PHE 860 Cb 0.26 -0.36 -0.15 0.00 0.35 0.00 0.00 39.48 39.57 3kdp n PHE 860 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kdp n THR 861 N -3.40 1.37 -0.36 -2.13 -2.24 -1.25 -2.65 114.28 103.61 3kdp n THR 861 Ca 0.33 -0.83 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 3kdp n THR 861 Cb 1.55 -0.56 0.13 0.00 -2.10 0.00 0.00 70.33 69.35 3kdp n THR 861 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kdp h TYR 862 N 0.00 1.23 0.00 4.78 5.03 0.20 1.01 116.97 129.22 3kdp h TYR 862 Ca -0.46 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.86 3kdp h TYR 862 Cb 2.13 -0.42 -0.00 0.00 1.55 0.00 0.00 36.73 39.99 3kdp h TYR 862 CO 0.00 0.77 -0.10 0.74 -1.32 0.00 0.00 178.16 178.25 3kdp h PHE 863 N 1.32 0.00 0.08 -3.82 -1.00 -1.09 -2.60 116.94 109.84 3kdp h PHE 863 Ca 0.36 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.79 3kdp h PHE 863 Cb -0.14 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 3kdp h PHE 863 CO -0.00 0.10 -1.93 0.28 -1.61 0.00 0.00 178.31 175.14 3kdp n VAL 864 N -3.38 1.69 -0.30 -0.55 0.31 -0.20 -3.21 118.33 112.70 3kdp n VAL 864 Ca -0.01 -0.51 0.16 0.00 -0.01 0.00 0.00 64.34 63.96 3kdp n VAL 864 Cb 0.27 -1.77 0.41 0.00 -0.91 0.00 0.00 33.84 31.84 3kdp n VAL 864 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3kdp h ILE 865 N -0.19 0.70 0.11 2.52 1.08 0.98 -0.82 117.51 121.88 3kdp h ILE 865 Ca -0.44 -0.21 -0.22 0.00 -0.39 0.00 0.00 64.86 63.60 3kdp h ILE 865 Cb 1.86 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3kdp h ILE 865 CO -0.01 0.11 -1.10 -0.07 -0.69 0.00 0.00 178.15 176.39 3kdp h LEU 866 N 0.60 0.35 -0.32 1.44 3.38 -1.61 -3.24 115.31 115.91 3kdp h LEU 866 Ca 0.53 -0.87 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 3kdp h LEU 866 Cb 1.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kdp h LEU 866 CO -0.28 1.49 -0.33 0.00 0.09 0.00 0.00 178.44 179.41 3kdp h ALA 867 N -0.03 0.48 0.00 1.53 0.00 -1.53 0.13 119.26 119.83 3kdp h ALA 867 Ca -0.23 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kdp h ALA 867 Cb 1.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kdp h ALA 867 CO 0.06 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.24 3kdp n GLU 868 N -4.18 0.04 0.00 0.00 1.02 -0.32 -0.60 120.64 116.61 3kdp n GLU 868 Ca -0.03 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3kdp n GLU 868 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3kdp n GLU 868 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kdp n ASN 869 N -1.13 1.09 0.00 1.62 5.15 -0.65 -5.06 115.26 116.29 3kdp n ASN 869 Ca 0.01 -1.43 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 3kdp n ASN 869 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 3kdp n ASN 869 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdp n GLY 870 N -0.22 2.25 3.37 8.20 0.00 0.31 -5.01 105.19 114.10 3kdp n GLY 870 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 3kdp n GLY 870 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdp n PHE 871 N 0.00 0.19 -1.49 1.61 3.01 -0.42 -4.48 117.46 115.87 3kdp n PHE 871 Ca 0.00 -0.29 -0.52 0.00 1.01 0.00 0.00 57.45 57.65 3kdp n PHE 871 Cb 0.00 -1.05 -0.05 0.00 -0.01 0.00 0.00 39.48 38.37 3kdp n PHE 871 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kdp n LEU 872 N 9.82 0.04 -0.03 4.37 4.77 -1.26 -3.62 117.00 131.09 3kdp n LEU 872 Ca 0.32 1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 57.44 3kdp n LEU 872 Cb 0.40 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.46 3kdp n LEU 872 CO 0.82 -2.09 0.32 -2.65 -1.33 0.00 0.00 177.39 172.46 3kdp n PRO 873 N 1.39 -0.03 -0.26 3.23 -0.02 -1.26 -1.56 135.00 136.49 3kdp n PRO 873 Ca 0.18 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 3kdp n PRO 873 Cb 0.19 -1.01 0.41 0.00 -0.02 0.00 0.00 33.50 33.06 3kdp n PRO 873 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kdp h ILE 874 N 0.00 0.80 0.00 4.25 5.03 -2.01 0.50 117.51 126.08 3kdp h ILE 874 Ca 0.01 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 3kdp h ILE 874 Cb 0.03 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 33.95 3kdp h ILE 874 CO -0.07 0.11 0.00 1.41 -0.68 0.00 0.00 178.15 178.92 3kdp n HIS 875 N -4.55 0.00 -0.06 1.37 8.25 -0.60 -0.92 115.22 118.71 3kdp n HIS 875 Ca 0.18 -0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.55 3kdp n HIS 875 Cb 0.51 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 3kdp n HIS 875 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kdp n LEU 876 N 0.37 0.22 -3.10 2.41 4.77 0.18 -4.73 117.00 117.11 3kdp n LEU 876 Ca 0.00 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3kdp n LEU 876 Cb 0.11 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3kdp n LEU 876 CO 0.00 0.33 1.41 0.18 -1.33 0.00 0.00 177.39 177.98 3kdp n LEU 877 N -2.48 1.43 0.00 2.23 4.77 -0.10 -1.57 117.00 121.29 3kdp n LEU 877 Ca -0.20 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 3kdp n LEU 877 Cb 0.88 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kdp n LEU 877 CO 0.25 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 3kdp n GLY 878 N 4.03 0.16 0.33 -0.72 0.00 -1.23 -4.87 105.19 102.89 3kdp n GLY 878 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 3kdp n GLY 878 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdp h LEU 879 N 0.00 -0.30 -0.91 0.99 3.38 -1.24 -2.82 115.31 114.40 3kdp h LEU 879 Ca 0.00 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.31 3kdp h LEU 879 Cb 0.00 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 3kdp h LEU 879 CO 0.00 -0.29 -0.52 -2.11 0.09 0.00 0.00 178.44 175.61 3kdp n ARG 880 N -5.40 -0.38 -0.34 1.13 1.85 -0.56 0.19 116.66 113.15 3kdp n ARG 880 Ca 0.23 1.38 0.05 0.00 -1.00 0.00 0.00 57.85 58.50 3kdp n ARG 880 Cb 0.74 -2.03 0.12 0.00 -1.05 0.00 0.00 32.46 30.25 3kdp n ARG 880 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3kdp n VAL 881 N -5.16 -0.40 -0.06 8.89 0.24 -1.06 -0.69 118.33 120.07 3kdp n VAL 881 Ca 0.03 2.15 -0.18 0.00 -2.04 0.00 0.00 64.34 64.30 3kdp n VAL 881 Cb 0.25 -2.97 -0.13 0.00 -1.47 0.00 0.00 33.84 29.53 3kdp n VAL 881 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3kdp h ASN 882 N 0.00 0.09 -0.70 -1.34 2.35 0.20 -3.39 115.58 112.79 3kdp h ASN 882 Ca 0.44 -0.80 0.07 0.00 -0.55 0.00 0.00 56.30 55.46 3kdp h ASN 882 Cb 0.67 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 3kdp h ASN 882 CO -0.96 1.29 -0.57 -0.25 -1.65 0.00 0.00 177.43 175.29 3kdp h TRP 883 N -0.85 -1.78 0.00 1.19 2.91 0.41 0.75 115.95 118.58 3kdp h TRP 883 Ca -0.18 0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.95 3kdp h TRP 883 Cb 1.27 0.87 0.00 0.00 -0.51 0.00 0.00 29.16 30.78 3kdp h TRP 883 CO 0.19 -0.43 0.00 -0.25 -1.03 0.00 0.00 178.44 176.91 3kdp n ASP 884 N -5.32 0.00 -4.69 2.65 8.00 0.13 -4.68 116.55 112.64 3kdp n ASP 884 Ca -0.01 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3kdp n ASP 884 Cb 0.30 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3kdp n ASP 884 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kdp s ASP 885 N -2.30 7.19 0.00 -2.24 -1.08 0.26 -4.92 116.67 113.58 3kdp s ASP 885 Ca 0.01 1.69 0.28 0.00 -0.52 0.00 0.00 52.55 54.01 3kdp s ASP 885 Cb 0.01 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.34 3kdp s ASP 885 CO 0.01 -0.46 1.96 -1.14 0.52 0.00 0.00 175.17 176.06 3kdp n ARG 886 N 4.78 1.28 -0.04 4.34 0.63 -1.26 -3.69 116.66 122.70 3kdp n ARG 886 Ca 0.09 -0.41 -0.05 0.00 -0.92 0.00 0.00 57.85 56.56 3kdp n ARG 886 Cb 0.48 -1.46 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 3kdp n ARG 886 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3kdp n TRP 887 N -0.48 0.00 -0.98 -0.14 5.03 -1.26 -4.79 117.44 114.82 3kdp n TRP 887 Ca 0.21 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.32 3kdp n TRP 887 Cb 0.20 -0.35 -0.06 0.00 -1.03 0.00 0.00 31.31 30.07 3kdp n TRP 887 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 3kdp n ILE 888 N -2.53 1.51 1.14 -0.99 5.41 -1.24 -4.64 119.36 118.02 3kdp n ILE 888 Ca -0.14 -1.27 0.08 0.00 1.00 0.00 0.00 62.75 62.42 3kdp n ILE 888 Cb 0.70 -2.23 0.45 0.00 -0.71 0.00 0.00 39.64 37.85 3kdp n ILE 888 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kdp n ASN 889 N 7.43 0.00 -3.30 4.38 3.02 -1.26 -4.23 115.26 121.31 3kdp n ASN 889 Ca 0.48 -0.67 -0.26 0.00 -0.03 0.00 0.00 54.58 54.10 3kdp n ASN 889 Cb 0.38 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 3kdp n ASN 889 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3kdp n ASP 890 N -0.92 2.71 -4.34 6.41 5.75 -1.21 -2.70 116.55 122.26 3kdp n ASP 890 Ca 0.11 -3.24 -0.33 0.00 -0.01 0.00 0.00 54.79 51.32 3kdp n ASP 890 Cb 0.05 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.35 3kdp n ASP 890 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kdp s VAL 891 N -2.32 3.04 0.26 2.12 1.01 -1.20 -4.88 120.40 118.42 3kdp s VAL 891 Ca 0.39 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3kdp s VAL 891 Cb 0.18 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.15 3kdp s VAL 891 CO -0.05 0.50 1.58 -1.61 0.00 0.00 0.00 175.10 175.52 3kdp s GLU 892 N 0.68 4.16 0.00 2.72 2.02 -1.26 -3.18 118.70 123.83 3kdp s GLU 892 Ca -0.06 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.43 3kdp s GLU 892 Cb -0.15 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3kdp s GLU 892 CO 0.02 -0.60 0.00 -0.40 0.02 0.00 0.00 175.26 174.30 3kdp n ASP 893 N 2.60 0.00 -0.12 -0.19 3.85 -1.02 -4.99 116.55 116.69 3kdp n ASP 893 Ca 0.09 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.25 3kdp n ASP 893 Cb 0.38 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.26 3kdp n ASP 893 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kdp n SER 894 N 0.00 1.99 0.00 -1.12 7.64 -1.26 -4.73 113.62 116.14 3kdp n SER 894 Ca 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.03 3kdp n SER 894 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3kdp n SER 894 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kdp n TYR 895 N -1.17 0.00 0.00 1.43 4.01 -1.26 -4.97 117.16 115.19 3kdp n TYR 895 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3kdp n TYR 895 Cb 0.62 0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 3kdp n TYR 895 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdp n GLY 896 N 1.82 1.10 3.45 2.72 0.00 -1.26 -5.13 105.19 107.90 3kdp n GLY 896 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 46.02 45.47 3kdp n GLY 896 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kdp n GLN 897 N 0.00 0.11 -3.85 1.61 6.02 -1.26 -4.47 117.38 115.55 3kdp n GLN 897 Ca 0.00 0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 3kdp n GLN 897 Cb 0.00 -1.26 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 3kdp n GLN 897 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kdp s GLN 898 N -0.62 3.37 -0.03 -1.09 -0.21 -1.26 -2.42 119.66 117.40 3kdp s GLN 898 Ca 0.74 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 55.45 3kdp s GLN 898 Cb -1.04 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 29.78 3kdp s GLN 898 CO 0.56 -0.25 0.12 -1.58 -2.12 0.00 0.00 175.29 172.02 3kdp s TRP 899 N 1.51 3.42 0.00 0.91 0.52 -1.19 -4.81 118.94 119.30 3kdp s TRP 899 Ca 0.05 0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.48 3kdp s TRP 899 Cb -0.15 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 3kdp s TRP 899 CO -0.01 0.61 0.00 0.25 0.02 0.00 0.00 176.95 177.82 3kdp n THR 900 N 1.32 0.00 0.00 2.01 -2.24 -1.10 -3.25 114.28 111.02 3kdp n THR 900 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kdp n THR 900 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3kdp n THR 900 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdp n TYR 901 N 0.00 0.00 0.18 4.78 9.36 -1.26 -3.85 117.16 126.37 3kdp n TYR 901 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 3kdp n TYR 901 Cb 0.00 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.16 3kdp n TYR 901 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3kdp h GLU 902 N 0.00 0.00 -0.06 2.98 4.39 -1.97 0.66 114.58 120.58 3kdp h GLU 902 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kdp h GLU 902 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kdp h GLU 902 CO 0.00 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.81 3kdp h GLN 903 N 0.00 0.11 0.21 2.33 4.20 -1.96 -2.59 115.11 117.41 3kdp h GLN 903 Ca 0.14 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.48 3kdp h GLN 903 Cb 1.67 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 29.46 3kdp h GLN 903 CO -0.00 0.37 -1.54 0.07 -0.67 0.00 0.00 178.83 177.06 3kdp h ARG 904 N -0.17 0.45 -0.11 1.46 0.11 0.19 -3.34 114.38 112.97 3kdp h ARG 904 Ca 0.02 -0.78 0.04 0.00 0.10 0.00 0.00 59.98 59.36 3kdp h ARG 904 Cb 0.32 0.29 -0.04 0.00 1.11 0.00 0.00 29.97 31.65 3kdp h ARG 904 CO 0.00 1.36 -0.14 0.87 0.10 0.00 0.00 179.97 182.16 3kdp h LYS 905 N 0.12 -0.17 0.00 0.08 1.79 -1.44 0.69 116.57 117.65 3kdp h LYS 905 Ca -0.27 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3kdp h LYS 905 Cb 2.12 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.81 3kdp h LYS 905 CO 0.24 -0.12 0.21 -0.89 -1.08 0.00 0.00 179.45 177.81 3kdp n ILE 906 N -5.28 0.81 -0.06 1.86 2.08 -0.98 0.33 119.36 118.11 3kdp n ILE 906 Ca -0.03 0.42 -0.05 0.00 0.56 0.00 0.00 62.75 63.65 3kdp n ILE 906 Cb 0.20 -1.42 -0.13 0.00 -0.75 0.00 0.00 39.64 37.55 3kdp n ILE 906 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kdp n VAL 907 N -1.16 0.87 0.26 1.39 0.31 0.22 -3.35 118.33 116.86 3kdp n VAL 907 Ca 0.00 -0.61 -0.16 0.00 -0.01 0.00 0.00 64.34 63.56 3kdp n VAL 907 Cb 0.21 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 3kdp n VAL 907 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kdp h GLU 908 N 0.00 -0.60 -1.00 5.55 4.81 0.78 0.21 114.58 124.33 3kdp h GLU 908 Ca -0.34 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3kdp h GLU 908 Cb 1.74 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 31.19 3kdp h GLU 908 CO 0.02 -0.35 0.66 0.74 -0.73 0.00 0.00 179.01 179.34 3kdp h PHE 909 N -0.71 1.24 0.00 0.92 0.04 -0.46 2.34 116.94 120.30 3kdp h PHE 909 Ca -0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kdp h PHE 909 Cb 0.52 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3kdp h PHE 909 CO -0.02 0.73 0.04 1.15 -0.60 0.00 0.00 178.31 179.60 3kdp h THR 910 N 1.29 0.00 0.18 -1.55 2.02 -1.49 -1.13 112.91 112.23 3kdp h THR 910 Ca 0.39 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 67.23 3kdp h THR 910 Cb -0.03 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3kdp h THR 910 CO -0.12 0.00 -1.72 0.00 0.37 0.00 0.00 175.52 174.05 3kdp n HIS 912 N -3.63 0.00 -0.15 0.00 8.25 -0.23 -2.06 115.22 117.40 3kdp n HIS 912 Ca -0.25 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.32 3kdp n HIS 912 Cb 1.05 -0.13 0.17 0.00 1.12 0.00 0.00 29.99 32.20 3kdp n HIS 912 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kdp n THR 913 N -1.28 -0.00 -0.52 1.59 -1.04 -0.49 0.26 114.28 112.80 3kdp n THR 913 Ca 0.00 0.32 0.02 0.00 -2.04 0.00 0.00 64.05 62.35 3kdp n THR 913 Cb 0.00 -0.53 0.03 0.00 -1.82 0.00 0.00 70.33 68.01 3kdp n THR 913 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3kdp n PRO 914 N -2.45 1.99 -0.03 -2.82 -0.05 -1.09 -3.87 135.00 126.67 3kdp n PRO 914 Ca 0.09 -1.59 -0.10 0.00 -0.05 0.00 0.00 63.50 61.86 3kdp n PRO 914 Cb 0.42 -1.02 -0.08 0.00 -0.05 0.00 0.00 33.50 32.77 3kdp n PRO 914 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 175.50 175.80 3kdp h PHE 915 N 0.00 -0.06 0.00 0.54 -0.00 0.42 -2.81 116.94 115.04 3kdp h PHE 915 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3kdp h PHE 915 Cb 0.74 0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.71 3kdp h PHE 915 CO 0.01 0.52 0.43 0.34 -0.00 0.00 0.00 178.31 179.61 3kdp n PHE 916 N -4.75 0.02 -0.04 0.41 -0.00 -0.60 -1.08 117.46 111.43 3kdp n PHE 916 Ca -0.07 0.01 -0.06 0.00 -0.00 0.00 0.00 57.45 57.33 3kdp n PHE 916 Cb 0.29 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.48 39.65 3kdp n PHE 916 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3kdp n VAL 917 N -1.18 1.39 -0.01 -2.13 0.31 -1.22 -3.76 118.33 111.73 3kdp n VAL 917 Ca -0.00 0.24 0.21 0.00 -0.01 0.00 0.00 64.34 64.77 3kdp n VAL 917 Cb 0.43 -2.04 0.47 0.00 -0.91 0.00 0.00 33.84 31.79 3kdp n VAL 917 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3kdp h THR 918 N -0.61 0.08 -0.05 2.52 1.35 -1.14 1.52 112.91 116.59 3kdp h THR 918 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.81 3kdp h THR 918 Cb 0.62 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3kdp h THR 918 CO -0.00 0.00 -0.13 0.40 -0.25 0.00 0.00 175.52 175.53 3kdp h ILE 919 N 0.00 1.43 -0.21 6.82 1.08 -1.31 -0.44 117.51 124.89 3kdp h ILE 919 Ca 0.30 -1.49 -0.05 0.00 -0.39 0.00 0.00 64.86 63.23 3kdp h ILE 919 Cb 2.15 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 38.17 3kdp h ILE 919 CO -0.00 0.41 -0.09 0.58 -0.69 0.00 0.00 178.15 178.36 3kdp h VAL 920 N -0.33 1.18 -0.05 1.67 2.07 0.14 -2.04 116.25 118.90 3kdp h VAL 920 Ca -0.00 -0.78 -0.22 0.00 0.82 0.00 0.00 66.70 66.51 3kdp h VAL 920 Cb 0.73 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kdp h VAL 920 CO 0.03 0.25 -0.88 0.58 0.02 0.00 0.00 177.57 177.57 3kdp h VAL 921 N 0.31 1.35 -0.18 2.57 2.07 0.15 -3.00 116.25 119.52 3kdp h VAL 921 Ca 0.06 -2.24 -0.10 0.00 0.82 0.00 0.00 66.70 65.25 3kdp h VAL 921 Cb 0.36 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3kdp h VAL 921 CO 0.02 0.68 -0.33 -0.37 0.02 0.00 0.00 177.57 177.59 3kdp h VAL 922 N 0.34 1.28 0.00 2.57 -1.51 -1.01 -3.13 116.25 114.79 3kdp h VAL 922 Ca -0.07 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 3kdp h VAL 922 Cb 1.51 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 3kdp h VAL 922 CO 0.16 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 176.92 3kdp n GLN 923 N -4.08 0.11 0.07 5.19 1.13 -0.77 -1.73 117.38 117.29 3kdp n GLN 923 Ca -0.01 0.51 -0.03 0.00 -1.94 0.00 0.00 57.00 55.53 3kdp n GLN 923 Cb 0.44 -1.79 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3kdp n GLN 923 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 3kdp h TRP 924 N 0.00 -0.17 -1.35 1.08 6.55 -1.55 0.38 115.95 120.89 3kdp h TRP 924 Ca 0.00 -0.00 0.40 0.00 0.95 0.00 0.00 58.89 60.23 3kdp h TRP 924 Cb 0.13 0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 28.40 3kdp h TRP 924 CO 0.00 -0.10 0.94 0.00 -1.05 0.00 0.00 178.44 178.23 3kdp h ALA 925 N -1.88 3.05 0.24 1.49 0.00 -1.55 -1.46 119.26 119.15 3kdp h ALA 925 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kdp h ALA 925 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kdp h ALA 925 CO 0.03 -1.51 -0.11 0.22 0.00 0.00 0.00 179.25 177.88 3kdp h ASP 926 N 0.08 -0.27 0.00 0.00 3.58 -1.23 -3.13 116.42 115.46 3kdp h ASP 926 Ca 0.70 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.16 3kdp h ASP 926 Cb 2.51 0.07 0.00 0.00 1.72 0.00 0.00 39.33 43.63 3kdp h ASP 926 CO -0.14 0.17 0.22 -0.11 -2.88 0.00 0.00 179.24 176.51 3kdp n LEU 927 N -4.89 0.00 -0.05 2.28 7.94 0.13 0.12 117.00 122.53 3kdp n LEU 927 Ca -0.04 0.26 0.05 0.00 -1.11 0.00 0.00 56.01 55.17 3kdp n LEU 927 Cb 0.12 -0.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.77 3kdp n LEU 927 CO 0.09 -0.26 0.03 0.52 -1.11 0.00 0.00 177.39 176.66 3kdp n VAL 928 N -1.26 0.00 0.06 1.96 0.31 -0.98 -4.25 118.33 114.18 3kdp n VAL 928 Ca 0.00 -0.29 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 3kdp n VAL 928 Cb 0.22 1.03 -0.00 0.00 -0.91 0.00 0.00 33.84 34.18 3kdp n VAL 928 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3kdp n ILE 929 N -1.02 0.00 -0.11 2.52 -6.64 0.12 -4.12 119.36 110.11 3kdp n ILE 929 Ca 0.02 -0.48 -0.03 0.00 -1.77 0.00 0.00 62.75 60.49 3kdp n ILE 929 Cb 0.17 1.01 0.17 0.00 -1.44 0.00 0.00 39.64 39.55 3kdp n ILE 929 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kdp n LYS 931 N 0.03 0.62 -4.39 0.00 4.81 -1.26 -4.61 118.16 113.35 3kdp n LYS 931 Ca 0.22 0.22 -0.21 0.00 -0.87 0.00 0.00 58.31 57.68 3kdp n LYS 931 Cb 0.93 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 34.36 3kdp n LYS 931 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3kdp s THR 932 N -2.51 2.03 0.00 3.15 -1.32 -1.25 -5.03 115.64 110.71 3kdp s THR 932 Ca -0.37 -2.27 0.00 0.00 -1.21 0.00 0.00 61.69 57.84 3kdp s THR 932 Cb 0.12 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 3kdp s THR 932 CO 0.54 -0.50 0.60 0.54 -2.21 0.00 0.00 174.62 173.59 3kdp n ARG 933 N -0.43 0.69 0.00 7.08 1.74 -1.26 -4.86 116.66 119.61 3kdp n ARG 933 Ca -0.07 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 3kdp n ARG 933 Cb 0.60 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 3kdp n ARG 933 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kdp n ARG 934 N -0.17 0.00 -2.76 5.56 0.63 -1.26 -4.91 116.66 113.75 3kdp n ARG 934 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 3kdp n ARG 934 Cb 0.20 -0.26 -0.04 0.00 0.45 0.00 0.00 32.46 32.80 3kdp n ARG 934 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3kdp s ASN 935 N -1.87 7.41 0.78 6.15 0.01 -1.26 -4.76 114.94 121.39 3kdp s ASN 935 Ca 0.00 1.69 -0.15 0.00 -0.71 0.00 0.00 52.86 53.69 3kdp s ASN 935 Cb 0.00 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 3kdp s ASN 935 CO 0.00 -0.13 0.59 -0.24 -1.51 0.00 0.00 177.10 175.81 3kdp n SER 936 N 3.21 -1.08 0.13 -1.22 2.88 -1.26 -4.78 113.62 111.50 3kdp n SER 936 Ca 0.03 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.23 3kdp n SER 936 Cb 0.50 -1.25 0.49 0.00 -0.75 0.00 0.00 64.21 63.19 3kdp n SER 936 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3kdp n VAL 937 N -2.72 0.83 0.84 2.46 0.31 -1.26 -1.18 118.33 117.61 3kdp n VAL 937 Ca 0.10 0.22 0.12 0.00 -0.01 0.00 0.00 64.34 64.77 3kdp n VAL 937 Cb 0.51 -1.15 0.28 0.00 -0.91 0.00 0.00 33.84 32.56 3kdp n VAL 937 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kdp n PHE 938 N -2.22 0.22 0.01 3.52 3.72 -1.26 0.23 117.46 121.67 3kdp n PHE 938 Ca 0.02 0.06 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 3kdp n PHE 938 Cb 0.23 -0.44 -0.14 0.00 -0.94 0.00 0.00 39.48 38.19 3kdp n PHE 938 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3kdp h GLN 939 N 0.00 0.19 0.00 -1.08 4.20 -1.47 -3.40 115.11 113.54 3kdp h GLN 939 Ca 0.00 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 3kdp h GLN 939 Cb 0.59 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3kdp h GLN 939 CO 0.00 0.98 -1.88 0.94 -0.67 0.00 0.00 178.83 178.20 3kdp n GLN 940 N -3.35 0.78 -0.71 1.46 -0.06 -0.83 -4.99 117.38 109.68 3kdp n GLN 940 Ca -0.24 -0.11 0.10 0.00 -2.00 0.00 0.00 57.00 54.75 3kdp n GLN 940 Cb 1.05 -1.41 -0.02 0.00 -4.06 0.00 0.00 30.24 25.79 3kdp n GLN 940 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kdp n GLY 941 N 1.67 -1.90 2.40 1.69 0.00 0.13 -4.55 105.19 104.62 3kdp n GLY 941 Ca -0.10 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3kdp n GLY 941 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kdp n MET 942 N -2.65 3.36 0.00 1.61 0.00 -1.26 -4.78 117.12 113.40 3kdp n MET 942 Ca 0.00 -4.22 0.05 0.00 0.00 0.00 0.00 57.70 53.53 3kdp n MET 942 Cb 0.33 -2.26 0.30 0.00 0.00 0.00 0.00 33.22 31.59 3kdp n MET 942 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kdp n LYS 943 N -0.58 0.61 -2.56 0.03 5.02 -1.26 -4.58 118.16 114.84 3kdp n LYS 943 Ca 0.44 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 3kdp n LYS 943 Cb 0.69 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 3kdp n LYS 943 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kdp s ASN 944 N -1.71 6.73 0.00 4.39 3.84 -1.26 -4.81 114.94 122.12 3kdp s ASN 944 Ca 0.15 -2.22 0.00 0.00 0.21 0.00 0.00 52.86 51.00 3kdp s ASN 944 Cb 0.07 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 3kdp s ASN 944 CO 0.12 -1.28 0.32 0.29 -2.79 0.00 0.00 177.10 173.76 3kdp n LYS 945 N 8.50 0.42 0.00 0.43 4.76 -1.26 -1.85 118.16 129.17 3kdp n LYS 945 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3kdp n LYS 945 Cb 0.47 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 3kdp n LYS 945 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3kdp n ILE 946 N 0.55 0.00 -0.22 -0.18 0.00 -1.26 -4.59 119.36 113.66 3kdp n ILE 946 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 62.75 62.74 3kdp n ILE 946 Cb 0.16 -0.58 0.11 0.00 0.00 0.00 0.00 39.64 39.33 3kdp n ILE 946 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kdp h LEU 947 N 0.00 0.42 -0.70 9.51 6.46 -1.60 0.19 115.31 129.59 3kdp h LEU 947 Ca 0.00 0.05 0.12 0.00 -0.12 0.00 0.00 57.88 57.93 3kdp h LEU 947 Cb 0.41 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 3kdp h LEU 947 CO 0.00 0.26 0.28 0.40 -0.62 0.00 0.00 178.44 178.76 3kdp h ILE 948 N 0.57 0.72 -0.34 4.05 2.04 -1.79 -1.02 117.51 121.74 3kdp h ILE 948 Ca 0.31 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 66.05 3kdp h ILE 948 Cb 0.29 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3kdp h ILE 948 CO -0.24 0.08 0.11 0.15 0.00 0.00 0.00 178.15 178.26 3kdp h PHE 949 N 0.45 0.20 -0.80 1.37 3.57 -1.27 -1.70 116.94 118.77 3kdp h PHE 949 Ca 0.37 0.02 0.19 0.00 3.53 0.00 0.00 57.97 62.07 3kdp h PHE 949 Cb 0.50 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.08 3kdp h PHE 949 CO -0.16 0.08 0.19 0.78 -2.23 0.00 0.00 178.31 176.97 3kdp h GLY 950 N 0.25 1.14 0.00 2.40 0.00 0.08 0.21 103.07 107.15 3kdp h GLY 950 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3kdp h GLY 950 CO -0.16 -0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.15 3kdp n LEU 951 N -5.20 0.00 -0.33 3.11 4.77 -0.71 0.03 117.00 118.68 3kdp n LEU 951 Ca 0.17 0.76 0.17 0.00 -0.03 0.00 0.00 56.01 57.08 3kdp n LEU 951 Cb 0.54 -0.26 0.34 0.00 -2.33 0.00 0.00 43.42 41.72 3kdp n LEU 951 CO 0.09 -0.26 0.89 -0.26 -1.33 0.00 0.00 177.39 176.52 3kdp h PHE 952 N 0.00 0.22 0.00 -1.77 -1.00 -0.74 -1.30 116.94 112.35 3kdp h PHE 952 Ca 0.00 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3kdp h PHE 952 Cb 0.00 0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3kdp h PHE 952 CO -0.07 -0.38 0.00 -1.91 -1.61 0.00 0.00 178.31 174.34 3kdp n GLU 953 N -5.38 0.00 0.00 1.51 0.00 0.67 -2.03 120.64 115.41 3kdp n GLU 953 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3kdp n GLU 953 Cb 0.83 -0.95 0.00 0.00 0.00 0.00 0.00 31.44 31.32 3kdp n GLU 953 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3kdp n GLU 954 N -0.49 0.00 -0.08 5.31 2.13 0.10 -0.18 120.64 127.43 3kdp n GLU 954 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3kdp n GLU 954 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3kdp n GLU 954 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3kdp h THR 955 N 0.00 0.00 -0.51 6.31 2.02 -1.38 -2.54 112.91 116.81 3kdp h THR 955 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kdp h THR 955 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 3kdp h THR 955 CO 0.00 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.22 3kdp h ALA 956 N -0.63 1.64 -0.25 6.16 0.00 0.04 -1.06 119.26 125.16 3kdp h ALA 956 Ca 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kdp h ALA 956 Cb 0.29 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3kdp h ALA 956 CO -0.31 0.34 -0.34 1.25 0.00 0.00 0.00 179.25 180.18 3kdp h LEU 957 N 0.69 -1.09 -0.06 0.00 6.46 -0.48 -0.63 115.31 120.20 3kdp h LEU 957 Ca 0.19 0.17 0.02 0.00 -0.12 0.00 0.00 57.88 58.14 3kdp h LEU 957 Cb -0.08 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 3kdp h LEU 957 CO -0.04 -0.35 -0.46 0.00 -0.62 0.00 0.00 178.44 176.97 3kdp h ALA 958 N 0.52 -0.86 -0.55 1.25 0.00 -0.79 0.31 119.26 119.14 3kdp h ALA 958 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kdp h ALA 958 Cb 0.55 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 3kdp h ALA 958 CO -0.44 -1.01 -0.33 0.00 0.00 0.00 0.00 179.25 177.48 3kdp n ALA 959 N -2.92 -0.35 -0.32 0.00 0.00 -1.03 -0.16 120.51 115.73 3kdp n ALA 959 Ca -0.06 0.47 0.10 0.00 0.00 0.00 0.00 53.44 53.96 3kdp n ALA 959 Cb 0.33 0.10 0.28 0.00 0.00 0.00 0.00 19.45 20.15 3kdp n ALA 959 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kdp h PHE 960 N 0.00 0.90 0.00 0.00 3.57 -0.02 1.17 116.94 122.56 3kdp h PHE 960 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3kdp h PHE 960 Cb 0.23 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3kdp h PHE 960 CO -0.89 0.19 0.00 -0.11 -2.23 0.00 0.00 178.31 175.26 3kdp n LEU 961 N -4.84 0.00 0.00 0.59 7.94 0.98 -2.85 117.00 118.81 3kdp n LEU 961 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 3kdp n LEU 961 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 3kdp n LEU 961 CO 0.20 0.00 0.05 -0.24 -1.11 0.00 0.00 177.39 176.30 3kdp n SER 962 N -0.89 0.21 0.00 1.96 2.88 0.40 -4.79 113.62 113.39 3kdp n SER 962 Ca 0.06 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 3kdp n SER 962 Cb 0.03 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3kdp n SER 962 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3kdp n TYR 963 N -0.11 0.00 -1.72 0.66 4.02 -0.72 -2.17 117.16 117.12 3kdp n TYR 963 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3kdp n TYR 963 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 3kdp n TYR 963 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kdp n PRO 965 N 3.54 0.62 0.00 0.00 -0.02 -1.26 -2.75 135.00 135.14 3kdp n PRO 965 Ca 0.14 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 3kdp n PRO 965 Cb 0.35 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.55 3kdp n PRO 965 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdp n GLY 966 N 6.44 2.00 0.38 -1.23 0.00 -1.26 -4.99 105.19 106.54 3kdp n GLY 966 Ca 0.47 -0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.50 3kdp n GLY 966 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kdp h MET 967 N 0.00 0.00 0.28 1.61 2.86 -1.77 0.49 114.93 118.40 3kdp h MET 967 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3kdp h MET 967 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kdp h MET 967 CO 0.00 0.00 -0.13 0.78 1.06 0.00 0.00 176.91 178.62 3kdp h GLY 968 N 0.00 -0.39 2.00 8.32 0.00 -1.31 0.29 103.07 111.98 3kdp h GLY 968 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3kdp h GLY 968 CO -0.00 -0.14 0.00 -0.62 0.00 0.00 0.00 176.54 175.78 3kdp n VAL 969 N -5.04 0.92 -0.08 4.60 0.31 -0.02 -1.66 118.33 117.36 3kdp n VAL 969 Ca -0.08 0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 3kdp n VAL 969 Cb 0.26 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.10 3kdp n VAL 969 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kdp n ALA 970 N -1.55 1.64 -0.36 3.52 0.00 -0.16 -4.84 120.51 118.77 3kdp n ALA 970 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3kdp n ALA 970 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3kdp n ALA 970 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kdp n LEU 971 N -2.88 0.98 -3.67 0.00 4.77 0.97 -4.99 117.00 112.18 3kdp n LEU 971 Ca -0.28 -0.98 -0.25 0.00 -0.03 0.00 0.00 56.01 54.46 3kdp n LEU 971 Cb 0.85 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3kdp n LEU 971 CO 0.20 0.25 -0.08 0.54 -1.33 0.00 0.00 177.39 176.96 3kdp n ARG 972 N -0.17 -2.90 -3.99 3.23 1.74 -0.66 -4.78 116.66 109.13 3kdp n ARG 972 Ca 0.00 0.56 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 3kdp n ARG 972 Cb 0.22 -4.75 -0.16 0.00 -1.02 0.00 0.00 32.46 26.75 3kdp n ARG 972 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3kdp s MET 973 N -5.86 1.96 0.03 5.56 -1.94 -0.83 -4.34 119.30 113.87 3kdp s MET 973 Ca 0.25 -0.86 0.08 0.00 -1.71 0.00 0.00 55.69 53.45 3kdp s MET 973 Cb -0.07 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 3kdp s MET 973 CO 0.83 -0.45 -0.22 0.71 -0.01 0.00 0.00 175.02 175.88 3kdp s TYR 974 N 1.40 2.45 0.51 -0.03 1.51 -1.26 -1.01 117.35 120.92 3kdp s TYR 974 Ca -0.02 -0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 3kdp s TYR 974 Cb -0.17 -1.45 -0.10 0.00 -0.11 0.00 0.00 41.96 40.13 3kdp s TYR 974 CO -0.08 0.16 0.58 -2.30 -1.11 0.00 0.00 175.55 172.81 3kdp n PRO 975 N 1.81 0.62 -4.12 -1.71 -0.02 -0.92 -4.91 135.00 125.74 3kdp n PRO 975 Ca -0.17 0.23 -0.23 0.00 -2.02 0.00 0.00 63.50 61.31 3kdp n PRO 975 Cb 0.52 -1.68 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3kdp n PRO 975 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdp s LEU 976 N 0.90 3.23 -0.21 2.45 1.43 -1.26 -5.06 118.68 120.16 3kdp s LEU 976 Ca 0.67 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3kdp s LEU 976 Cb -0.50 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3kdp s LEU 976 CO 0.56 -0.30 0.11 -0.54 0.23 0.00 0.00 176.35 176.40 3kdp s LYS 977 N -3.84 4.04 0.00 1.70 1.02 -1.26 -5.00 119.74 116.40 3kdp s LYS 977 Ca 0.38 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.07 3kdp s LYS 977 Cb -0.02 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 3kdp s LYS 977 CO 0.22 0.20 0.05 -2.30 -0.92 0.00 0.00 175.35 172.60 3kdp n PRO 978 N 3.81 0.00 -0.24 -1.68 -0.02 -1.26 0.28 135.00 135.89 3kdp n PRO 978 Ca -0.16 0.05 0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3kdp n PRO 978 Cb 0.52 -0.08 0.38 0.00 -0.02 0.00 0.00 33.50 34.30 3kdp n PRO 978 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kdp n THR 979 N -1.31 0.00 -0.17 3.45 -2.24 -1.26 -1.90 114.28 110.86 3kdp n THR 979 Ca 0.00 0.99 -0.05 0.00 -2.27 0.00 0.00 64.05 62.71 3kdp n THR 979 Cb 0.00 -1.74 0.12 0.00 -2.10 0.00 0.00 70.33 66.61 3kdp n THR 979 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3kdp h TRP 980 N 0.00 0.98 -0.35 4.78 -0.00 0.37 -3.32 115.95 118.42 3kdp h TRP 980 Ca 0.44 -0.13 -0.17 0.00 -0.00 0.00 0.00 58.89 59.03 3kdp h TRP 980 Cb 2.35 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 31.24 3kdp h TRP 980 CO 0.00 0.85 -0.45 -1.49 -0.00 0.00 0.00 178.44 177.35 3kdp h TRP 981 N 0.88 1.12 0.00 0.49 4.06 -1.53 -3.28 115.95 117.69 3kdp h TRP 981 Ca 0.18 -0.36 0.00 0.00 2.06 0.00 0.00 58.89 60.76 3kdp h TRP 981 Cb 0.41 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 3kdp h TRP 981 CO 0.03 1.20 0.00 1.19 -3.56 0.00 0.00 178.44 177.29 3kdp n PHE 982 N -4.04 0.00 0.00 0.49 0.99 -1.25 -4.20 117.46 109.45 3kdp n PHE 982 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3kdp n PHE 982 Cb 0.58 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.06 3kdp n PHE 982 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kdp h ALA 984 N -2.00 1.69 -0.78 0.00 0.00 -1.79 -3.31 119.26 113.07 3kdp h ALA 984 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kdp h ALA 984 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 3kdp h ALA 984 CO 0.00 -0.61 -0.44 1.19 0.00 0.00 0.00 179.25 179.40 3kdp n PHE 985 N -2.96 -0.28 -0.06 0.00 0.99 -1.18 0.22 117.46 114.18 3kdp n PHE 985 Ca 0.01 0.98 0.16 0.00 -0.00 0.00 0.00 57.45 58.60 3kdp n PHE 985 Cb 0.61 -0.60 0.58 0.00 -1.00 0.00 0.00 39.48 39.07 3kdp n PHE 985 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3kdp h PRO 986 N 0.00 0.24 -0.01 -1.08 0.13 -1.81 -0.43 132.00 129.03 3kdp h PRO 986 Ca 0.15 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 3kdp h PRO 986 Cb 0.35 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.44 3kdp h PRO 986 CO -0.74 0.16 -0.70 1.88 -0.23 0.00 0.00 178.00 178.36 3kdp h TYR 987 N 0.24 0.73 0.26 1.56 0.99 0.24 0.09 116.97 121.08 3kdp h TYR 987 Ca 0.28 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3kdp h TYR 987 Cb 0.79 -0.09 -0.04 0.00 1.00 0.00 0.00 36.73 38.39 3kdp h TYR 987 CO -0.00 1.21 -0.51 0.77 -0.00 0.00 0.00 178.16 179.62 3kdp h SER 988 N 0.04 -1.49 -0.12 3.88 0.02 -0.26 -1.75 113.55 113.87 3kdp h SER 988 Ca -0.08 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3kdp h SER 988 Cb 1.39 0.53 -0.00 0.00 0.14 0.00 0.00 62.40 64.46 3kdp h SER 988 CO 0.14 -0.60 0.28 0.25 -1.14 0.00 0.00 176.83 175.76 3kdp h LEU 989 N -0.84 0.00 0.08 5.07 6.46 -1.08 0.17 115.31 125.16 3kdp h LEU 989 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3kdp h LEU 989 Cb 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3kdp h LEU 989 CO -0.20 0.00 -0.04 0.25 -0.62 0.00 0.00 178.44 177.83 3kdp h LEU 990 N 0.00 -0.09 -0.28 2.25 6.46 -0.47 -2.09 115.31 121.09 3kdp h LEU 990 Ca 0.06 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3kdp h LEU 990 Cb 0.62 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 3kdp h LEU 990 CO -0.00 0.05 -0.12 -0.38 -0.62 0.00 0.00 178.44 177.37 3kdp n ILE 991 N -2.87 -0.16 0.23 4.05 5.41 -0.71 0.16 119.36 125.47 3kdp n ILE 991 Ca -0.01 0.66 -0.15 0.00 1.00 0.00 0.00 62.75 64.25 3kdp n ILE 991 Cb 0.04 -0.87 -0.08 0.00 -0.71 0.00 0.00 39.64 38.03 3kdp n ILE 991 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3kdp h PHE 992 N 0.00 -0.60 -0.19 1.39 3.04 -1.00 -2.29 116.94 117.29 3kdp h PHE 992 Ca 0.09 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.90 3kdp h PHE 992 Cb 0.16 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 3kdp h PHE 992 CO -0.25 -0.36 -0.45 0.28 -2.02 0.00 0.00 178.31 175.51 3kdp h VAL 993 N -0.58 1.31 0.24 1.41 2.07 0.43 -2.69 116.25 118.45 3kdp h VAL 993 Ca -0.04 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3kdp h VAL 993 Cb 0.48 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3kdp h VAL 993 CO 0.04 0.51 -0.25 0.22 0.02 0.00 0.00 177.57 178.11 3kdp h TYR 994 N 0.38 -0.66 -0.90 1.57 3.20 -0.21 -2.73 116.97 117.61 3kdp h TYR 994 Ca 0.03 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3kdp h TYR 994 Cb 0.94 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 3kdp h TYR 994 CO 0.03 -0.36 0.59 0.22 -1.64 0.00 0.00 178.16 177.00 3kdp h ASP 995 N -0.53 0.95 -0.56 -2.11 1.82 -1.31 -2.27 116.42 112.41 3kdp h ASP 995 Ca -0.00 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 3kdp h ASP 995 Cb 0.49 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 3kdp h ASP 995 CO -0.06 0.64 0.26 -0.08 -1.61 0.00 0.00 179.24 178.40 3kdp h GLU 996 N 1.10 0.81 0.00 0.28 4.57 -1.37 -2.37 114.58 117.60 3kdp h GLU 996 Ca 0.37 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3kdp h GLU 996 Cb 0.08 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3kdp h GLU 996 CO -0.12 0.67 -0.25 0.28 -1.18 0.00 0.00 179.01 178.41 3kdp h VAL 997 N 0.76 0.78 0.21 0.32 2.07 -1.13 -2.76 116.25 116.50 3kdp h VAL 997 Ca 0.19 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3kdp h VAL 997 Cb 0.13 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kdp h VAL 997 CO -0.02 0.24 -0.14 0.03 0.02 0.00 0.00 177.57 177.70 3kdp h ARG 998 N 0.00 -0.32 -0.84 1.57 3.08 -0.89 -2.91 114.38 114.06 3kdp h ARG 998 Ca -0.00 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.27 3kdp h ARG 998 Cb 0.61 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.61 3kdp h ARG 998 CO 0.03 -0.22 0.29 0.87 -1.07 0.00 0.00 179.97 179.87 3kdp h LYS 999 N -0.34 0.31 -0.05 0.04 1.57 -1.44 -0.02 116.57 116.64 3kdp h LYS 999 Ca -0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kdp h LYS 999 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3kdp h LYS 999 CO 0.02 0.20 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.88 3kdp h LEU 1000N 0.31 -0.49 -0.20 2.94 -0.00 -1.50 -0.57 115.31 115.79 3kdp h LEU 1000Ca 0.51 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.47 3kdp h LEU 1000Cb 0.95 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 3kdp h LEU 1000CO -0.55 -0.13 -0.12 -0.38 -0.00 0.00 0.00 178.44 177.26 3kdp n ILE 1001N -3.39 -0.14 -0.18 1.22 2.08 -0.06 0.26 119.36 119.16 3kdp n ILE 1001Ca -0.02 1.36 -0.05 0.00 0.56 0.00 0.00 62.75 64.61 3kdp n ILE 1001Cb 0.11 -1.77 -0.04 0.00 -0.75 0.00 0.00 39.64 37.19 3kdp n ILE 1001CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kdp n ILE 1002N -3.35 -0.28 0.15 1.39 5.41 -0.97 0.14 119.36 121.85 3kdp n ILE 1002Ca 0.00 1.73 0.08 0.00 1.00 0.00 0.00 62.75 65.57 3kdp n ILE 1002Cb 0.05 -2.21 0.45 0.00 -0.71 0.00 0.00 39.64 37.22 3kdp n ILE 1002CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kdp n ARG 1003N -3.94 0.11 -0.09 0.38 1.74 0.14 0.32 116.66 115.32 3kdp n ARG 1003Ca 0.01 0.59 -0.10 0.00 -0.77 0.00 0.00 57.85 57.58 3kdp n ARG 1003Cb 0.11 -1.99 -0.16 0.00 -1.02 0.00 0.00 32.46 29.40 3kdp n ARG 1003CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kdp n ARG 1004N -2.10 0.68 -3.68 5.56 5.12 0.36 -4.74 116.66 117.87 3kdp n ARG 1004Ca -0.01 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.63 3kdp n ARG 1004Cb 0.16 -1.55 -0.15 0.00 -1.16 0.00 0.00 32.46 29.76 3kdp n ARG 1004CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3kdp s ARG 1005N -2.50 0.64 0.14 5.56 0.52 0.25 -5.00 118.95 118.55 3kdp s ARG 1005Ca -0.09 -1.04 0.25 0.00 -0.52 0.00 0.00 55.73 54.33 3kdp s ARG 1005Cb 0.06 -1.82 0.56 0.00 0.52 0.00 0.00 34.95 34.27 3kdp s ARG 1005CO 0.83 -1.01 1.52 -2.30 0.02 0.00 0.00 175.30 174.35 3kdp n PRO 1006N 4.81 0.26 0.00 3.54 -0.02 -0.78 -3.20 135.00 139.60 3kdp n PRO 1006Ca -0.02 0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 3kdp n PRO 1006Cb 0.41 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.10 3kdp n PRO 1006CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdp n GLY 1007N 1.34 -0.49 3.55 -1.23 0.00 -1.26 -4.88 105.19 102.22 3kdp n GLY 1007Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3kdp n GLY 1007CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kdp s GLY 1008N -2.51 1.55 0.22 -0.02 0.00 -1.20 -4.80 107.32 100.56 3kdp s GLY 1008Ca 0.09 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 3kdp s GLY 1008CO 0.65 0.05 1.89 -0.25 0.00 0.00 0.00 173.10 175.44 3kdp h TRP 1009N -2.64 1.03 -0.20 1.90 7.01 -1.96 -3.01 115.95 118.08 3kdp h TRP 1009Ca -0.47 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.59 3kdp h TRP 1009Cb 1.31 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 3kdp h TRP 1009CO -1.88 0.63 -0.00 0.28 -2.79 0.00 0.00 178.44 174.67 3kdp h VAL 1010N 1.10 0.86 -0.41 2.65 2.07 -1.92 -2.01 116.25 118.59 3kdp h VAL 1010Ca 0.32 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.86 3kdp h VAL 1010Cb -0.08 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3kdp h VAL 1010CO -0.09 0.01 0.18 -0.08 0.02 0.00 0.00 177.57 177.61 3kdp h GLU 1011N 0.06 0.35 -0.66 1.57 4.81 -1.80 0.35 114.58 119.25 3kdp h GLU 1011Ca 0.09 -0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.49 3kdp h GLU 1011Cb 0.12 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3kdp h GLU 1011CO -0.16 0.23 0.52 0.87 -0.73 0.00 0.00 179.01 179.75 3kdp h LYS 1012N 0.36 0.00 0.00 1.92 1.57 -1.36 -1.59 116.57 117.47 3kdp h LYS 1012Ca 0.18 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.76 3kdp h LYS 1012Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3kdp h LYS 1012CO -0.16 0.00 -2.04 0.39 -0.57 0.00 0.00 179.45 177.07 3kdp n GLU 1013N -4.13 1.03 -0.01 3.15 -0.58 0.41 -4.72 120.64 115.79 3kdp n GLU 1013Ca 0.13 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3kdp n GLU 1013Cb 0.78 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 30.18 3kdp n GLU 1013CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kdp n THR 1014N -2.46 0.16 -1.88 2.62 -2.24 0.93 -4.69 114.28 106.72 3kdp n THR 1014Ca -0.19 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 3kdp n THR 1014Cb 0.85 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3kdp n THR 1014CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kdp s TYR 1015N -2.24 1.56 0.00 4.78 6.04 -0.62 -4.80 117.35 122.06 3kdp s TYR 1015Ca -0.02 0.79 0.00 0.00 0.04 0.00 0.00 57.07 57.88 3kdp s TYR 1015Cb 0.02 -4.00 0.00 0.00 -1.04 0.00 0.00 41.96 36.94 3kdp s TYR 1015CO 0.21 -2.91 0.00 0.66 -1.54 0.00 0.00 175.55 171.96