#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbp s ASP 10 N 0.00 7.13 0.03 6.15 1.01 -1.26 -3.08 116.67 126.65 3kbp s ASP 10 Ca 0.00 1.72 -0.38 0.00 0.71 0.00 0.00 52.55 54.60 3kbp s ASP 10 Cb 0.00 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.20 3kbp s ASP 10 CO 0.00 -0.52 1.31 0.23 0.21 0.00 0.00 175.17 176.40 3kbp n MET 11 N 5.02 0.84 -0.88 8.23 2.81 -0.61 -4.87 117.12 127.66 3kbp n MET 11 Ca 0.10 0.30 -0.29 0.00 -1.81 0.00 0.00 57.70 56.00 3kbp n MET 11 Cb 0.47 -1.91 0.18 0.00 -0.71 0.00 0.00 33.22 31.25 3kbp n MET 11 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3kbp s PRO 12 N 0.64 0.46 0.45 0.03 0.04 -1.26 -4.94 135.00 130.42 3kbp s PRO 12 Ca 0.88 0.98 0.10 0.00 0.04 0.00 0.00 61.00 63.00 3kbp s PRO 12 Cb -1.05 -1.70 1.01 0.00 0.04 0.00 0.00 34.50 32.79 3kbp s PRO 12 CO 0.51 -2.83 2.09 -0.07 0.04 0.00 0.00 177.00 176.74 3kbp h LEU 13 N -1.99 0.29 -1.25 -3.56 3.38 -2.01 -2.16 115.31 108.01 3kbp h LEU 13 Ca -0.52 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3kbp h LEU 13 Cb 1.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kbp h LEU 13 CO 0.50 0.22 -0.16 -2.24 0.09 0.00 0.00 178.44 176.85 3kbp h ASP 14 N 0.34 0.00 -0.60 -0.43 2.03 -1.96 -3.44 116.42 112.36 3kbp h ASP 14 Ca 0.09 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.91 3kbp h ASP 14 Cb -0.03 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.50 3kbp h ASP 14 CO -0.02 0.16 0.13 -1.20 -1.03 0.00 0.00 179.24 177.28 3kbp n SER 15 N -3.34 0.17 -0.10 4.15 7.64 -0.81 -4.72 113.62 116.61 3kbp n SER 15 Ca 0.00 0.70 0.27 0.00 1.01 0.00 0.00 58.87 60.84 3kbp n SER 15 Cb 0.39 -0.54 0.70 0.00 -1.01 0.00 0.00 64.21 63.74 3kbp n SER 15 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3kbp h ASP 16 N 2.08 0.00 -0.24 6.43 2.03 -1.90 0.23 116.42 125.05 3kbp h ASP 16 Ca -0.29 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.89 3kbp h ASP 16 Cb 0.84 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 3kbp h ASP 16 CO 0.44 0.00 -0.24 1.62 -1.03 0.00 0.00 179.24 180.03 3kbp h VAL 17 N 0.00 1.27 -0.14 4.15 3.04 -1.95 -2.97 116.25 119.65 3kbp h VAL 17 Ca 0.37 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 3kbp h VAL 17 Cb 1.75 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 3kbp h VAL 17 CO -0.00 0.44 0.00 0.49 -1.01 0.00 0.00 177.57 177.49 3kbp n PHE 18 N -4.11 0.18 -2.02 3.17 3.72 0.80 -4.24 117.46 114.97 3kbp n PHE 18 Ca -0.00 -0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 3kbp n PHE 18 Cb 0.43 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 3kbp n PHE 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kbp s ARG 19 N -1.82 4.22 -0.19 -1.08 0.52 -1.13 -4.95 118.95 114.52 3kbp s ARG 19 Ca 0.13 2.31 -0.20 0.00 -0.52 0.00 0.00 55.73 57.44 3kbp s ARG 19 Cb 0.07 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3kbp s ARG 19 CO 0.09 -0.33 0.61 0.54 0.02 0.00 0.00 175.30 176.23 3kbp s VAL 20 N -1.15 5.04 0.16 3.52 0.11 -1.26 -5.01 120.40 121.80 3kbp s VAL 20 Ca 0.51 1.15 -0.34 0.00 -2.93 0.00 0.00 61.98 60.38 3kbp s VAL 20 Cb -0.41 -3.93 -0.15 0.00 -1.53 0.00 0.00 36.38 30.36 3kbp s VAL 20 CO 0.55 0.13 1.40 -0.81 -3.33 0.00 0.00 175.10 173.04 3kbp n PRO 21 N 4.96 1.69 -2.22 1.54 -0.04 -1.26 -4.90 135.00 134.76 3kbp n PRO 21 Ca -0.02 0.61 -0.38 0.00 -0.04 0.00 0.00 63.50 63.66 3kbp n PRO 21 Cb 0.50 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 3kbp n PRO 21 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kbp s PRO 22 N 0.25 3.94 0.00 0.54 0.04 -1.26 -4.73 135.00 133.77 3kbp s PRO 22 Ca 0.77 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3kbp s PRO 22 Cb -0.77 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3kbp s PRO 22 CO 0.46 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.47 3kbp n GLY 23 N 0.60 4.05 3.66 0.56 0.00 -1.26 -4.86 105.19 107.95 3kbp n GLY 23 Ca 0.05 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3kbp n GLY 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kbp s TYR 24 N -1.69 2.88 -1.09 1.61 5.04 -1.26 -3.00 117.35 119.84 3kbp s TYR 24 Ca 0.00 1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 55.61 3kbp s TYR 24 Cb 0.00 -3.50 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 3kbp s TYR 24 CO 0.00 -1.70 0.93 -1.71 -1.34 0.00 0.00 175.55 171.74 3kbp n ASN 25 N 6.41 -4.92 -4.65 4.32 4.05 -1.26 -3.61 115.26 115.59 3kbp n ASN 25 Ca 0.14 -0.67 -0.42 0.00 0.45 0.00 0.00 54.58 54.08 3kbp n ASN 25 Cb 0.45 -5.11 -0.04 0.00 1.23 0.00 0.00 39.78 36.30 3kbp n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kbp s ALA 26 N -3.37 3.60 -0.11 5.20 0.00 -1.16 -4.13 121.76 121.78 3kbp s ALA 26 Ca 0.29 -0.08 -0.35 0.00 0.00 0.00 0.00 51.96 51.82 3kbp s ALA 26 Cb -0.04 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 3kbp s ALA 26 CO 0.72 -0.81 1.88 -0.35 0.00 0.00 0.00 175.76 177.21 3kbp n PRO 27 N 5.69 2.08 -4.69 0.00 -0.04 -1.26 -4.69 135.00 132.09 3kbp n PRO 27 Ca 0.05 0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 63.97 3kbp n PRO 27 Cb 0.48 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 3kbp n PRO 27 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3kbp s GLN 28 N 4.12 2.08 -1.36 0.54 -2.07 0.71 -4.77 119.66 118.91 3kbp s GLN 28 Ca 0.94 -2.27 -0.03 0.00 -1.82 0.00 0.00 55.36 52.18 3kbp s GLN 28 Cb -0.72 -1.49 0.01 0.00 -1.09 0.00 0.00 33.01 29.72 3kbp s GLN 28 CO 0.53 -0.26 0.20 1.04 -1.32 0.00 0.00 175.29 175.48 3kbp n GLN 29 N -1.12 -2.82 -1.77 9.60 6.02 -1.26 -0.40 117.38 125.63 3kbp n GLN 29 Ca -0.13 0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 57.18 3kbp n GLN 29 Cb 0.67 -5.42 0.01 0.00 1.02 0.00 0.00 30.24 26.52 3kbp n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kbp n VAL 30 N -3.85 2.30 -3.64 5.09 0.31 -1.26 -4.50 118.33 112.79 3kbp n VAL 30 Ca -0.14 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.64 3kbp n VAL 30 Cb 0.62 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.57 3kbp n VAL 30 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3kbp s HIS 31 N -1.15 -0.71 0.38 3.52 -3.43 0.12 -4.10 115.29 109.91 3kbp s HIS 31 Ca 0.56 1.46 0.08 0.00 -0.80 0.00 0.00 55.06 56.37 3kbp s HIS 31 Cb -0.47 0.43 -0.06 0.00 -1.43 0.00 0.00 32.58 31.05 3kbp s HIS 31 CO 0.61 -0.35 0.07 0.96 -2.00 0.00 0.00 174.74 174.04 3kbp s ILE 32 N 1.27 2.43 0.26 -5.38 -4.36 -0.47 -1.50 121.20 113.46 3kbp s ILE 32 Ca -0.08 -1.87 -0.19 0.00 -0.26 0.00 0.00 60.65 58.26 3kbp s ILE 32 Cb -0.04 -2.91 0.01 0.00 1.25 0.00 0.00 42.46 40.78 3kbp s ILE 32 CO -0.15 -0.10 0.64 -0.89 0.24 0.00 0.00 174.94 174.68 3kbp s THR 33 N -2.57 0.00 0.19 8.37 2.01 -0.92 -3.63 115.64 119.08 3kbp s THR 33 Ca 0.37 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 3kbp s THR 33 Cb 0.03 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 3kbp s THR 33 CO 0.20 -0.01 1.42 -1.58 -0.69 0.00 0.00 174.62 173.97 3kbp s GLN 34 N -3.94 4.30 0.02 4.92 0.74 -1.26 -0.45 119.66 123.98 3kbp s GLN 34 Ca 0.14 2.19 0.23 0.00 0.05 0.00 0.00 55.36 57.97 3kbp s GLN 34 Cb -0.04 -3.17 0.07 0.00 1.10 0.00 0.00 33.01 30.96 3kbp s GLN 34 CO 0.07 -0.42 1.07 0.41 -0.55 0.00 0.00 175.29 175.87 3kbp n GLY 35 N 2.88 -1.15 0.00 2.59 0.00 0.26 -4.17 105.19 105.60 3kbp n GLY 35 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3kbp n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 36 N -1.70 0.73 0.03 1.61 5.68 -1.25 -4.68 116.55 116.97 3kbp n ASP 36 Ca 0.03 -0.52 -0.09 0.00 -0.50 0.00 0.00 54.79 53.71 3kbp n ASP 36 Cb 0.38 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.23 3kbp n ASP 36 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kbp h LEU 37 N 0.00 0.06 -1.91 -2.12 5.85 -1.90 -3.40 115.31 111.89 3kbp h LEU 37 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kbp h LEU 37 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3kbp h LEU 37 CO 0.00 1.07 0.00 1.33 -0.34 0.00 0.00 178.44 180.50 3kbp n VAL 38 N -3.25 0.43 0.00 1.05 0.24 -1.26 -0.24 118.33 115.30 3kbp n VAL 38 Ca -0.09 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 3kbp n VAL 38 Cb 1.00 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 3kbp n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbp n GLY 39 N -0.04 1.08 2.55 7.63 0.00 -1.26 -4.63 105.19 110.53 3kbp n GLY 39 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3kbp n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kbp n ARG 40 N -0.49 2.87 -3.58 1.61 1.85 -1.26 -4.44 116.66 113.22 3kbp n ARG 40 Ca 0.00 -3.57 -0.16 0.00 -1.00 0.00 0.00 57.85 53.12 3kbp n ARG 40 Cb 0.00 -2.28 -0.06 0.00 -1.05 0.00 0.00 32.46 29.07 3kbp n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kbp s ALA 41 N -3.88 -1.79 0.08 2.89 0.00 -1.26 -1.36 121.76 116.44 3kbp s ALA 41 Ca 0.57 1.68 0.04 0.00 0.00 0.00 0.00 51.96 54.26 3kbp s ALA 41 Cb 0.46 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3kbp s ALA 41 CO -0.18 -0.35 -0.12 -1.64 0.00 0.00 0.00 175.76 173.47 3kbp s MET 42 N -0.39 0.80 -0.24 0.00 -1.94 -0.33 0.89 119.30 118.08 3kbp s MET 42 Ca -0.05 -1.02 -0.01 0.00 -1.71 0.00 0.00 55.69 52.90 3kbp s MET 42 Cb -0.03 -0.64 0.03 0.00 2.01 0.00 0.00 34.83 36.20 3kbp s MET 42 CO 0.05 0.12 -0.07 0.42 -0.01 0.00 0.00 175.02 175.53 3kbp s ILE 43 N -1.79 2.77 -0.20 2.53 1.01 0.40 -1.23 121.20 124.70 3kbp s ILE 43 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.46 3kbp s ILE 43 Cb -0.07 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3kbp s ILE 43 CO 0.01 0.21 0.26 -0.63 0.00 0.00 0.00 174.94 174.78 3kbp s ILE 44 N 1.31 5.31 -0.03 2.92 -1.09 0.29 -2.17 121.20 127.73 3kbp s ILE 44 Ca -0.00 0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 3kbp s ILE 44 Cb -0.17 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3kbp s ILE 44 CO -0.05 0.34 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.44 3kbp s SER 45 N 0.82 1.49 0.36 3.58 0.01 -0.56 -1.26 113.70 118.14 3kbp s SER 45 Ca 0.13 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 3kbp s SER 45 Cb -0.13 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.72 3kbp s SER 45 CO 0.04 0.10 0.51 -1.66 0.41 0.00 0.00 173.24 172.64 3kbp s TRP 46 N 0.11 1.03 -0.02 2.43 -2.14 -0.82 -0.71 118.94 118.82 3kbp s TRP 46 Ca -0.03 -1.29 0.02 0.00 2.66 0.00 0.00 56.10 57.47 3kbp s TRP 46 Cb -0.09 -0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 3kbp s TRP 46 CO 0.01 -1.19 -0.07 0.08 -2.66 0.00 0.00 176.95 173.12 3kbp s VAL 47 N -2.91 0.59 -0.05 -0.66 1.01 0.46 -0.67 120.40 118.18 3kbp s VAL 47 Ca 0.30 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3kbp s VAL 47 Cb -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3kbp s VAL 47 CO 0.20 0.19 -0.19 0.42 0.00 0.00 0.00 175.10 175.72 3kbp s THR 48 N 0.09 2.63 -0.07 3.92 -4.23 -0.31 -0.21 115.64 117.46 3kbp s THR 48 Ca -0.01 -0.87 0.14 0.00 -1.18 0.00 0.00 61.69 59.77 3kbp s THR 48 Cb -0.06 -2.00 -0.21 0.00 1.34 0.00 0.00 72.50 71.57 3kbp s THR 48 CO -0.00 0.58 0.21 0.23 -0.54 0.00 0.00 174.62 175.09 3kbp n MET 49 N 2.61 1.00 -0.04 3.99 2.81 -1.26 0.01 117.12 126.25 3kbp n MET 49 Ca -0.17 -0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.49 3kbp n MET 49 Cb 0.52 -1.36 -0.12 0.00 -0.71 0.00 0.00 33.22 31.55 3kbp n MET 49 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kbp h ASP 50 N 0.00 0.11 -5.02 7.83 3.32 -1.95 -3.46 116.42 117.26 3kbp h ASP 50 Ca -0.17 -0.85 -0.04 0.00 0.02 0.00 0.00 57.03 55.99 3kbp h ASP 50 Cb 1.20 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3kbp h ASP 50 CO 0.01 0.95 0.12 -1.83 -1.72 0.00 0.00 179.24 176.77 3kbp s GLU 51 N -2.82 1.15 0.08 3.56 -1.05 -1.26 -5.05 118.70 113.32 3kbp s GLU 51 Ca -0.17 -0.35 -0.16 0.00 -0.15 0.00 0.00 54.97 54.14 3kbp s GLU 51 Cb -0.01 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 3kbp s GLU 51 CO 0.72 -0.46 0.84 -2.30 0.95 0.00 0.00 175.26 175.00 3kbp n PRO 52 N 0.02 -0.23 -0.11 -4.83 -0.02 -1.26 -4.84 135.00 123.73 3kbp n PRO 52 Ca -0.17 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3kbp n PRO 52 Cb 0.62 -1.21 -0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3kbp n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbp n GLY 53 N -1.13 -1.34 3.77 -1.23 0.00 -1.26 -4.80 105.19 99.21 3kbp n GLY 53 Ca 0.01 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 3kbp n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbp s SER 54 N -2.47 6.57 -0.17 1.61 0.15 -1.26 -4.98 113.70 113.15 3kbp s SER 54 Ca 0.00 0.68 0.06 0.00 0.70 0.00 0.00 55.95 57.38 3kbp s SER 54 Cb 0.00 -2.21 0.43 0.00 -1.71 0.00 0.00 66.02 62.53 3kbp s SER 54 CO 0.00 0.18 1.30 -1.20 1.20 0.00 0.00 173.24 174.72 3kbp n SER 55 N 2.95 3.57 -4.88 5.45 7.64 -1.26 -4.67 113.62 122.42 3kbp n SER 55 Ca -0.12 -2.65 -0.30 0.00 1.01 0.00 0.00 58.87 56.81 3kbp n SER 55 Cb 0.52 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 3kbp n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 56 N -1.93 3.36 -0.05 -0.43 0.00 -1.26 -0.04 121.76 121.42 3kbp s ALA 56 Ca 0.31 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3kbp s ALA 56 Cb 0.24 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.70 3kbp s ALA 56 CO 0.08 -0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.82 3kbp s VAL 57 N -2.39 0.75 -0.20 0.00 1.01 0.18 -4.46 120.40 115.28 3kbp s VAL 57 Ca 0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3kbp s VAL 57 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3kbp s VAL 57 CO 0.32 0.27 0.11 -0.60 0.00 0.00 0.00 175.10 175.20 3kbp s ARG 58 N 0.80 4.09 0.04 2.72 3.52 -0.72 -0.44 118.95 128.95 3kbp s ARG 58 Ca -0.13 -0.28 -0.08 0.00 -0.13 0.00 0.00 55.73 55.11 3kbp s ARG 58 Cb -0.15 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 3kbp s ARG 58 CO 0.02 0.26 0.16 1.52 -0.81 0.00 0.00 175.30 176.45 3kbp s TYR 59 N 0.45 0.11 0.07 5.12 1.13 -0.10 0.54 117.35 124.67 3kbp s TYR 59 Ca 0.06 -0.37 -0.26 0.00 -1.41 0.00 0.00 57.07 55.09 3kbp s TYR 59 Cb -0.12 -0.07 0.08 0.00 -1.10 0.00 0.00 41.96 40.76 3kbp s TYR 59 CO -0.00 -0.42 0.70 1.67 -2.51 0.00 0.00 175.55 174.98 3kbp s TRP 60 N -2.68 -0.51 0.36 -3.49 -2.14 -0.15 -0.33 118.94 109.99 3kbp s TRP 60 Ca -0.04 0.47 -0.08 0.00 2.66 0.00 0.00 56.10 59.11 3kbp s TRP 60 Cb -0.01 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.83 3kbp s TRP 60 CO -0.05 -0.71 0.68 -1.54 -2.66 0.00 0.00 176.95 172.67 3kbp s SER 61 N -2.32 6.47 0.11 -2.66 1.04 -1.19 -0.33 113.70 114.82 3kbp s SER 61 Ca -0.00 0.94 -0.21 0.00 0.48 0.00 0.00 55.95 57.15 3kbp s SER 61 Cb -0.01 -2.24 -0.07 0.00 0.10 0.00 0.00 66.02 63.80 3kbp s SER 61 CO -0.07 -0.33 1.72 -0.08 0.98 0.00 0.00 173.24 175.46 3kbp h GLU 62 N 1.35 0.03 0.00 4.02 4.81 -1.83 -3.18 114.58 119.77 3kbp h GLU 62 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kbp h GLU 62 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3kbp h GLU 62 CO 0.64 0.02 0.00 0.36 -0.73 0.00 0.00 179.01 179.30 3kbp n LYS 63 N -5.13 0.00 -2.90 1.92 2.85 -1.26 -4.23 118.16 109.41 3kbp n LYS 63 Ca -0.04 0.37 -0.44 0.00 -1.05 0.00 0.00 58.31 57.15 3kbp n LYS 63 Cb 0.08 -1.33 -0.03 0.00 -0.65 0.00 0.00 35.03 33.10 3kbp n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3kbp s ASN 64 N -2.03 6.55 0.00 -5.58 3.84 -1.24 -4.90 114.94 111.57 3kbp s ASN 64 Ca 0.00 -1.85 0.00 0.00 0.21 0.00 0.00 52.86 51.22 3kbp s ASN 64 Cb 0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 3kbp s ASN 64 CO 0.00 -1.14 0.36 0.61 -2.79 0.00 0.00 177.10 174.15 3kbp n GLY 65 N 5.53 0.78 3.60 1.21 0.00 -1.20 -3.16 105.19 111.95 3kbp n GLY 65 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3kbp n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 66 N 0.20 3.48 -0.00 1.61 3.52 -1.26 -4.89 118.95 121.61 3kbp s ARG 66 Ca 0.00 1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 56.48 3kbp s ARG 66 Cb 0.00 -4.10 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 3kbp s ARG 66 CO 0.00 -1.68 1.03 0.15 -0.81 0.00 0.00 175.30 173.99 3kbp s LYS 67 N 5.23 4.52 0.28 5.12 1.02 -1.26 -4.50 119.74 130.14 3kbp s LYS 67 Ca 0.70 1.49 0.09 0.00 0.02 0.00 0.00 55.97 58.26 3kbp s LYS 67 Cb -0.18 -3.45 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 3kbp s LYS 67 CO 0.33 -0.13 -0.11 1.03 -0.92 0.00 0.00 175.35 175.55 3kbp s ARG 68 N 1.16 1.60 -0.03 1.68 0.52 0.55 -4.96 118.95 119.47 3kbp s ARG 68 Ca 0.53 -1.78 0.05 0.00 -0.52 0.00 0.00 55.73 54.01 3kbp s ARG 68 Cb -0.22 -1.41 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 3kbp s ARG 68 CO 0.27 0.15 -0.19 0.42 0.02 0.00 0.00 175.30 175.97 3kbp s ILE 69 N -2.81 1.53 -0.05 1.52 1.01 -1.26 -0.92 121.20 120.23 3kbp s ILE 69 Ca 0.29 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3kbp s ILE 69 Cb 0.01 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3kbp s ILE 69 CO 0.13 0.44 -0.22 0.00 0.00 0.00 0.00 174.94 175.29 3kbp s ALA 70 N -0.19 2.33 -0.13 9.38 0.00 0.42 -4.92 121.76 128.64 3kbp s ALA 70 Ca 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 3kbp s ALA 70 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3kbp s ALA 70 CO 0.01 0.48 -0.04 0.21 0.00 0.00 0.00 175.76 176.42 3kbp s LYS 71 N -0.44 3.46 0.00 0.00 2.36 -1.26 0.50 119.74 124.37 3kbp s LYS 71 Ca 0.05 -0.51 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 3kbp s LYS 71 Cb -0.12 -2.85 0.00 0.00 -1.05 0.00 0.00 37.83 33.81 3kbp s LYS 71 CO 0.01 0.35 0.00 0.41 1.55 0.00 0.00 175.35 177.68 3kbp n GLY 72 N 3.19 3.38 3.08 5.54 0.00 0.95 -4.70 105.19 116.62 3kbp n GLY 72 Ca -0.18 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 3kbp n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kbp s LYS 73 N 3.04 0.58 0.01 1.61 2.36 -0.94 -4.85 119.74 121.56 3kbp s LYS 73 Ca 0.00 -0.90 0.08 0.00 -2.55 0.00 0.00 55.97 52.60 3kbp s LYS 73 Cb 0.00 -0.21 -0.02 0.00 -1.05 0.00 0.00 37.83 36.55 3kbp s LYS 73 CO 0.00 0.02 -0.25 1.41 1.55 0.00 0.00 175.35 178.08 3kbp s MET 74 N -2.19 1.84 0.17 4.03 -2.45 -1.26 -1.70 119.30 117.74 3kbp s MET 74 Ca -0.05 -0.97 -0.05 0.00 -1.25 0.00 0.00 55.69 53.38 3kbp s MET 74 Cb -0.06 -1.89 -0.03 0.00 1.25 0.00 0.00 34.83 34.11 3kbp s MET 74 CO -0.01 0.50 0.19 -1.54 1.05 0.00 0.00 175.02 175.21 3kbp s SER 75 N -0.89 0.14 0.07 1.11 1.04 0.29 -4.95 113.70 110.51 3kbp s SER 75 Ca 0.10 -1.13 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 3kbp s SER 75 Cb -0.10 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.43 3kbp s SER 75 CO 0.00 -0.85 0.27 0.42 0.98 0.00 0.00 173.24 174.06 3kbp s THR 76 N -4.05 0.10 0.12 2.02 -4.23 -1.26 -0.37 115.64 107.97 3kbp s THR 76 Ca 0.26 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 3kbp s THR 76 Cb 0.05 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3kbp s THR 76 CO 0.05 -0.46 0.13 -0.72 -0.54 0.00 0.00 174.62 173.07 3kbp s TYR 77 N -3.17 0.58 -0.02 3.99 1.13 -1.26 -5.00 117.35 113.61 3kbp s TYR 77 Ca -0.01 -0.99 0.07 0.00 -1.41 0.00 0.00 57.07 54.74 3kbp s TYR 77 Cb 0.01 -0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.56 3kbp s TYR 77 CO -0.07 -0.56 -0.24 1.03 -2.51 0.00 0.00 175.55 173.19 3kbp s ARG 78 N -3.98 2.15 0.00 -3.49 0.52 -1.26 -0.76 118.95 112.12 3kbp s ARG 78 Ca 0.17 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3kbp s ARG 78 Cb 0.06 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3kbp s ARG 78 CO -0.02 0.57 0.00 0.34 0.02 0.00 0.00 175.30 176.20 3kbp n PHE 79 N 2.38 0.00 0.00 -0.53 7.35 -0.80 -4.97 117.46 120.89 3kbp n PHE 79 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 3kbp n PHE 79 Cb 0.51 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 3kbp n PHE 79 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kbp n PHE 80 N -1.70 0.00 -0.79 -5.13 7.35 -1.26 -4.77 117.46 111.15 3kbp n PHE 80 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 3kbp n PHE 80 Cb 0.00 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.21 3kbp n PHE 80 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3kbp n ASN 81 N -0.19 5.49 -4.96 -2.13 6.94 -1.26 -4.93 115.26 114.22 3kbp n ASN 81 Ca 0.00 -2.88 -0.23 0.00 -0.02 0.00 0.00 54.58 51.45 3kbp n ASN 81 Cb 0.00 -0.68 -0.02 0.00 -2.36 0.00 0.00 39.78 36.72 3kbp n ASN 81 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3kbp s TYR 82 N -2.66 3.47 -0.16 -2.53 5.04 -1.26 -5.12 117.35 114.13 3kbp s TYR 82 Ca 0.52 0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 55.17 3kbp s TYR 82 Cb 0.39 -1.65 0.07 0.00 0.35 0.00 0.00 41.96 41.13 3kbp s TYR 82 CO 0.15 0.42 0.31 -1.12 -1.34 0.00 0.00 175.55 173.97 3kbp s SER 83 N -3.75 0.18 1.13 4.32 0.01 -1.26 -1.90 113.70 112.43 3kbp s SER 83 Ca 0.35 0.69 -0.14 0.00 1.31 0.00 0.00 55.95 58.16 3kbp s SER 83 Cb -0.10 0.91 0.25 0.00 0.21 0.00 0.00 66.02 67.29 3kbp s SER 83 CO 0.30 -0.24 1.06 -0.94 0.41 0.00 0.00 173.24 173.82 3kbp s SER 84 N 2.48 1.45 0.15 2.44 1.04 0.06 -5.00 113.70 116.31 3kbp s SER 84 Ca 0.01 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.62 3kbp s SER 84 Cb -0.12 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.17 3kbp s SER 84 CO -0.10 -3.86 0.00 0.61 0.98 0.00 0.00 173.24 170.87 3kbp n GLY 85 N -0.21 0.67 3.56 7.32 0.00 -1.26 -4.77 105.19 110.50 3kbp n GLY 85 Ca 0.06 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3kbp n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kbp s PHE 86 N 0.78 3.15 0.11 1.61 0.08 0.10 -4.62 117.98 119.19 3kbp s PHE 86 Ca 0.00 0.25 -0.22 0.00 0.12 0.00 0.00 56.93 57.08 3kbp s PHE 86 Cb 0.00 -3.08 -0.07 0.00 -0.57 0.00 0.00 43.02 39.30 3kbp s PHE 86 CO 0.00 -0.62 0.67 0.42 -0.10 0.00 0.00 175.22 175.59 3kbp s ILE 87 N 2.60 4.59 0.01 0.64 1.01 0.50 -1.16 121.20 129.39 3kbp s ILE 87 Ca 0.22 1.44 0.05 0.00 0.00 0.00 0.00 60.65 62.36 3kbp s ILE 87 Cb -0.15 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3kbp s ILE 87 CO 0.15 0.53 -0.16 -1.00 0.00 0.00 0.00 174.94 174.46 3kbp s HIS 88 N -1.04 1.38 -0.13 3.97 3.76 0.16 -0.55 115.29 122.85 3kbp s HIS 88 Ca 0.32 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 3kbp s HIS 88 Cb -0.21 -0.86 0.06 0.00 1.11 0.00 0.00 32.58 32.68 3kbp s HIS 88 CO 0.22 0.01 0.12 -1.01 -0.85 0.00 0.00 174.74 173.24 3kbp s HIS 89 N -0.58 -0.01 0.02 1.40 3.76 -0.69 -1.95 115.29 117.24 3kbp s HIS 89 Ca 0.05 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.18 3kbp s HIS 89 Cb -0.07 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 3kbp s HIS 89 CO 0.00 -0.39 -0.24 0.99 -0.85 0.00 0.00 174.74 174.25 3kbp s THR 90 N 2.22 1.90 -0.27 1.30 2.01 -0.39 -2.21 115.64 120.20 3kbp s THR 90 Ca 0.04 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 60.83 3kbp s THR 90 Cb -0.14 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.80 3kbp s THR 90 CO -0.07 0.37 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.28 3kbp s THR 91 N -0.72 2.68 0.15 -0.82 2.01 -1.26 -0.55 115.64 117.12 3kbp s THR 91 Ca 0.10 -1.39 -0.24 0.00 0.31 0.00 0.00 61.69 60.46 3kbp s THR 91 Cb -0.09 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.83 3kbp s THR 91 CO 0.01 -0.01 0.74 -0.63 -0.69 0.00 0.00 174.62 174.04 3kbp s ILE 92 N 1.22 4.44 0.33 1.82 1.01 -0.37 -4.92 121.20 124.73 3kbp s ILE 92 Ca -0.05 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.27 3kbp s ILE 92 Cb -0.19 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3kbp s ILE 92 CO -0.03 0.52 0.21 0.00 0.00 0.00 0.00 174.94 175.64 3kbp s ARG 93 N -1.10 1.70 -1.43 2.79 1.70 -1.26 -1.19 118.95 120.17 3kbp s ARG 93 Ca 0.35 -1.99 -0.10 0.00 -0.47 0.00 0.00 55.73 53.52 3kbp s ARG 93 Cb -0.22 0.06 0.04 0.00 -0.57 0.00 0.00 34.95 34.26 3kbp s ARG 93 CO 0.25 -0.56 1.05 1.63 -1.08 0.00 0.00 175.30 176.60 3kbp n LYS 94 N -0.64 -6.59 -1.77 3.89 4.76 -0.46 -4.94 118.16 112.42 3kbp n LYS 94 Ca 0.03 0.71 -0.30 0.00 -2.87 0.00 0.00 58.31 55.88 3kbp n LYS 94 Cb 0.64 -5.66 0.05 0.00 -1.84 0.00 0.00 35.03 28.22 3kbp n LYS 94 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kbp s LEU 95 N -7.20 2.89 0.19 -0.35 1.43 -0.74 -5.05 118.68 109.84 3kbp s LEU 95 Ca 0.55 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 3kbp s LEU 95 Cb -0.26 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 3kbp s LEU 95 CO 0.78 -1.45 0.54 -0.54 0.23 0.00 0.00 176.35 175.91 3kbp s LYS 96 N -5.25 3.87 0.58 1.70 1.02 -1.26 -4.77 119.74 115.62 3kbp s LYS 96 Ca 0.58 0.36 -0.17 0.00 0.02 0.00 0.00 55.97 56.76 3kbp s LYS 96 Cb -0.12 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3kbp s LYS 96 CO 0.53 0.40 1.08 0.71 -0.92 0.00 0.00 175.35 177.14 3kbp s TYR 97 N -1.65 2.87 -0.78 3.18 2.02 -1.26 -4.09 117.35 117.63 3kbp s TYR 97 Ca 0.43 1.54 -0.01 0.00 -0.37 0.00 0.00 57.07 58.65 3kbp s TYR 97 Cb -0.13 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 3kbp s TYR 97 CO 0.20 -1.24 0.64 -1.71 -1.57 0.00 0.00 175.55 171.86 3kbp n ASN 98 N -1.77 -5.85 -3.74 2.29 5.15 0.14 -4.92 115.26 106.56 3kbp n ASN 98 Ca 0.10 -0.64 -0.13 0.00 -0.60 0.00 0.00 54.58 53.31 3kbp n ASN 98 Cb 0.52 -2.88 -0.10 0.00 -0.53 0.00 0.00 39.78 36.79 3kbp n ASN 98 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kbp s THR 99 N -2.94 -0.00 0.16 -0.44 2.01 -1.18 -4.87 115.64 108.38 3kbp s THR 99 Ca 0.02 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 3kbp s THR 99 Cb -0.00 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 3kbp s THR 99 CO 0.85 0.00 0.93 -0.75 -0.69 0.00 0.00 174.62 174.95 3kbp s LYS 100 N 0.22 4.74 0.05 4.92 2.20 -1.26 -0.21 119.74 130.39 3kbp s LYS 100 Ca -0.00 1.42 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 3kbp s LYS 100 Cb -0.03 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 3kbp s LYS 100 CO 0.00 0.37 -0.18 0.71 -0.36 0.00 0.00 175.35 175.89 3kbp s TYR 101 N -0.56 1.60 -0.10 4.03 2.02 0.17 -2.26 117.35 122.24 3kbp s TYR 101 Ca 0.43 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 3kbp s TYR 101 Cb -0.24 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 3kbp s TYR 101 CO 0.30 0.08 -0.18 0.71 -1.57 0.00 0.00 175.55 174.89 3kbp s TYR 102 N -0.86 2.67 -0.00 2.71 2.02 0.56 -1.36 117.35 123.09 3kbp s TYR 102 Ca 0.05 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3kbp s TYR 102 Cb -0.09 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3kbp s TYR 102 CO 0.02 -0.24 -0.08 1.52 -1.57 0.00 0.00 175.55 175.20 3kbp s TYR 103 N 0.18 0.69 0.06 2.71 -0.85 0.22 -0.98 117.35 119.38 3kbp s TYR 103 Ca -0.10 -0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.36 3kbp s TYR 103 Cb -0.16 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.71 3kbp s TYR 103 CO 0.06 -0.01 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.67 3kbp s GLU 104 N -0.30 1.96 -0.01 -3.49 2.02 0.19 0.37 118.70 119.43 3kbp s GLU 104 Ca 0.02 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3kbp s GLU 104 Cb -0.04 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.07 3kbp s GLU 104 CO -0.00 0.52 -0.01 0.54 0.02 0.00 0.00 175.26 176.34 3kbp s VAL 105 N -0.95 0.14 0.00 2.63 0.11 0.21 -1.76 120.40 120.78 3kbp s VAL 105 Ca 0.15 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3kbp s VAL 105 Cb -0.10 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 3kbp s VAL 105 CO 0.06 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 3kbp n GLY 106 N 3.60 0.75 0.30 6.54 0.00 -1.26 -1.03 105.19 114.08 3kbp n GLY 106 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.85 3kbp n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kbp h LEU 107 N 0.00 0.46 -0.15 0.99 3.38 -1.84 -2.56 115.31 115.59 3kbp h LEU 107 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3kbp h LEU 107 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kbp h LEU 107 CO 0.00 0.39 -0.25 0.03 0.09 0.00 0.00 178.44 178.69 3kbp h ARG 108 N 0.53 0.44 0.00 1.13 3.08 -1.95 -3.46 114.38 114.15 3kbp h ARG 108 Ca 0.14 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3kbp h ARG 108 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3kbp h ARG 108 CO -0.02 0.87 0.00 0.09 -1.07 0.00 0.00 179.97 179.83 3kbp n ASN 109 N -4.43 0.00 -4.26 7.04 4.13 -1.21 -5.01 115.26 111.53 3kbp n ASN 109 Ca -0.06 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.82 3kbp n ASN 109 Cb 0.44 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.56 3kbp n ASN 109 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3kbp s THR 110 N 0.00 3.73 0.16 3.41 -4.23 -1.22 -5.01 115.64 112.47 3kbp s THR 110 Ca 0.00 -1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 59.02 3kbp s THR 110 Cb 0.00 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 3kbp s THR 110 CO 0.00 -0.22 0.87 -0.89 -0.54 0.00 0.00 174.62 173.84 3kbp s THR 111 N 1.38 4.36 -0.05 3.99 2.01 -0.97 -4.23 115.64 122.14 3kbp s THR 111 Ca -0.01 1.90 0.05 0.00 0.31 0.00 0.00 61.69 63.94 3kbp s THR 111 Cb -0.20 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 3kbp s THR 111 CO 0.02 0.44 -0.21 -0.13 -0.69 0.00 0.00 174.62 174.06 3kbp s ARG 112 N -0.71 2.11 -0.05 4.92 0.52 -0.20 -4.93 118.95 120.61 3kbp s ARG 112 Ca 0.41 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.85 3kbp s ARG 112 Cb -0.24 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 3kbp s ARG 112 CO 0.28 0.30 0.11 0.50 0.02 0.00 0.00 175.30 176.52 3kbp s ARG 113 N -0.04 3.25 0.35 3.54 3.52 -1.26 -0.62 118.95 127.69 3kbp s ARG 113 Ca -0.04 -0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3kbp s ARG 113 Cb -0.12 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3kbp s ARG 113 CO 0.03 0.70 0.42 -0.06 -0.81 0.00 0.00 175.30 175.58 3kbp s PHE 114 N -1.13 1.37 -0.02 5.12 0.08 0.16 -4.98 117.98 118.58 3kbp s PHE 114 Ca 0.20 -1.47 -0.19 0.00 0.12 0.00 0.00 56.93 55.59 3kbp s PHE 114 Cb -0.12 -0.32 0.03 0.00 -0.57 0.00 0.00 43.02 42.04 3kbp s PHE 114 CO 0.10 -1.07 0.40 -1.54 -0.10 0.00 0.00 175.22 173.02 3kbp s SER 115 N -3.31 -0.31 0.10 1.36 1.04 -1.25 -0.61 113.70 110.73 3kbp s SER 115 Ca 0.35 0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.95 3kbp s SER 115 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3kbp s SER 115 CO 0.24 -0.48 0.20 0.72 0.98 0.00 0.00 173.24 174.90 3kbp s PHE 116 N -1.27 0.25 -0.13 5.02 -0.12 -0.46 -4.47 117.98 116.79 3kbp s PHE 116 Ca -0.13 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 3kbp s PHE 116 Cb -0.04 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3kbp s PHE 116 CO 0.06 -0.57 -0.19 0.42 -0.05 0.00 0.00 175.22 174.88 3kbp s ILE 117 N -3.89 1.83 0.57 -4.49 1.01 -1.26 0.42 121.20 115.38 3kbp s ILE 117 Ca 0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 3kbp s ILE 117 Cb 0.05 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3kbp s ILE 117 CO -0.08 0.51 1.26 0.42 0.00 0.00 0.00 174.94 177.05 3kbp s THR 118 N 0.88 2.44 0.90 2.92 -4.23 0.71 -4.78 115.64 114.47 3kbp s THR 118 Ca -0.07 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3kbp s THR 118 Cb -0.15 -3.14 0.18 0.00 1.34 0.00 0.00 72.50 70.74 3kbp s THR 118 CO -0.02 -0.03 1.24 -2.16 -0.54 0.00 0.00 174.62 173.11 3kbp s PRO 119 N -3.11 0.88 0.78 3.99 0.04 -1.26 -2.03 135.00 134.28 3kbp s PRO 119 Ca 0.74 -0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.06 3kbp s PRO 119 Cb -0.34 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3kbp s PRO 119 CO 0.39 -2.19 1.08 -1.25 0.04 0.00 0.00 177.00 175.08 3kbp s PRO 120 N -5.70 2.26 0.33 0.56 0.04 -1.26 0.28 135.00 131.50 3kbp s PRO 120 Ca 0.72 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 3kbp s PRO 120 Cb -0.04 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3kbp s PRO 120 CO 0.51 -1.55 1.30 -1.14 0.04 0.00 0.00 177.00 176.16 3kbp s GLN 121 N -5.04 4.36 0.08 4.56 0.74 -1.26 -4.02 119.66 119.07 3kbp s GLN 121 Ca 0.60 2.21 -0.36 0.00 0.05 0.00 0.00 55.36 57.86 3kbp s GLN 121 Cb -0.15 -3.07 -0.18 0.00 1.10 0.00 0.00 33.01 30.70 3kbp s GLN 121 CO 0.55 -0.18 1.09 2.41 -0.55 0.00 0.00 175.29 178.61 3kbp n THR 122 N 0.84 0.43 -3.51 -0.34 -1.04 -1.25 -4.77 114.28 104.64 3kbp n THR 122 Ca 0.00 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.05 61.80 3kbp n THR 122 Cb 0.42 -0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3kbp n THR 122 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kbp s GLY 123 N -0.01 -0.51 0.07 3.41 0.00 -0.90 -4.99 107.32 104.39 3kbp s GLY 123 Ca 0.82 0.42 -0.22 0.00 0.00 0.00 0.00 44.72 45.75 3kbp s GLY 123 CO 0.53 0.14 1.59 -2.00 0.00 0.00 0.00 173.10 173.36 3kbp h LEU 124 N 2.00 0.18 -3.30 0.66 5.85 -1.79 -3.21 115.31 115.69 3kbp h LEU 124 Ca -0.30 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 3kbp h LEU 124 Cb 1.29 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 3kbp h LEU 124 CO 0.34 0.32 -0.13 0.47 -0.34 0.00 0.00 178.44 179.10 3kbp n ASP 125 N -4.88 2.41 -4.63 1.25 8.00 -1.26 -3.81 116.55 113.62 3kbp n ASP 125 Ca -0.05 -3.77 -0.42 0.00 0.71 0.00 0.00 54.79 51.25 3kbp n ASP 125 Cb 0.13 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 3kbp n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbp s VAL 126 N -3.23 4.66 0.50 2.53 1.01 -1.21 -4.79 120.40 119.87 3kbp s VAL 126 Ca 0.44 1.48 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 3kbp s VAL 126 Cb 0.40 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3kbp s VAL 126 CO -0.01 -0.35 0.96 -2.16 0.00 0.00 0.00 175.10 173.53 3kbp s PRO 127 N 3.29 3.91 -0.09 2.72 0.04 -1.26 -3.56 135.00 140.05 3kbp s PRO 127 Ca 0.39 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3kbp s PRO 127 Cb -0.13 -2.17 0.11 0.00 0.04 0.00 0.00 34.50 32.35 3kbp s PRO 127 CO 0.13 -0.25 0.91 -0.47 0.04 0.00 0.00 177.00 177.37 3kbp s TYR 128 N -2.61 -0.40 -0.13 0.56 5.04 -1.04 -4.89 117.35 113.88 3kbp s TYR 128 Ca 0.58 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.75 3kbp s TYR 128 Cb -0.10 0.48 0.03 0.00 0.35 0.00 0.00 41.96 42.71 3kbp s TYR 128 CO 0.32 -0.45 -0.09 -0.08 -1.34 0.00 0.00 175.55 173.91 3kbp s THR 129 N -1.84 1.17 -0.06 4.34 -1.32 -1.26 -0.43 115.64 116.23 3kbp s THR 129 Ca -0.01 -0.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.97 3kbp s THR 129 Cb -0.01 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 3kbp s THR 129 CO -0.01 0.33 0.18 -0.36 -2.21 0.00 0.00 174.62 172.54 3kbp s PHE 130 N 1.64 3.58 0.03 9.09 0.08 -0.84 -0.70 117.98 130.85 3kbp s PHE 130 Ca 0.04 0.48 -0.10 0.00 0.12 0.00 0.00 56.93 57.47 3kbp s PHE 130 Cb -0.13 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 3kbp s PHE 130 CO -0.09 0.69 0.34 0.20 -0.10 0.00 0.00 175.22 176.26 3kbp s GLY 131 N -1.44 2.33 -0.18 4.36 0.00 0.13 -0.84 107.32 111.67 3kbp s GLY 131 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 3kbp s GLY 131 CO 0.11 -0.19 -0.11 1.08 0.00 0.00 0.00 173.10 173.99 3kbp s LEU 132 N -1.62 2.64 -0.01 0.66 1.02 -0.09 0.05 118.68 121.32 3kbp s LEU 132 Ca 0.28 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 54.00 3kbp s LEU 132 Cb -0.14 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.44 3kbp s LEU 132 CO 0.15 0.04 -0.02 -0.63 0.02 0.00 0.00 176.35 175.91 3kbp s ILE 133 N 1.07 0.25 -0.05 -0.59 1.01 -1.01 -0.80 121.20 121.08 3kbp s ILE 133 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 3kbp s ILE 133 Cb -0.15 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.09 3kbp s ILE 133 CO -0.03 0.10 0.23 -0.83 0.00 0.00 0.00 174.94 174.41 3kbp s GLY 134 N 0.27 -0.11 -1.20 6.18 0.00 -1.21 -1.82 107.32 109.42 3kbp s GLY 134 Ca -0.02 0.37 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 3kbp s GLY 134 CO -0.01 0.24 0.85 1.22 0.00 0.00 0.00 173.10 175.41 3kbp n ASP 135 N 2.15 -5.64 0.30 1.64 9.92 -0.04 -2.52 116.55 122.37 3kbp n ASP 135 Ca -0.18 -0.39 -0.18 0.00 -0.53 0.00 0.00 54.79 53.52 3kbp n ASP 135 Cb 0.57 -4.32 -0.09 0.00 -0.64 0.00 0.00 41.12 36.63 3kbp n ASP 135 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3kbp h LEU 136 N -1.94 -1.30 0.00 0.64 5.85 -1.76 -0.60 115.31 116.20 3kbp h LEU 136 Ca -0.47 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kbp h LEU 136 Cb 1.31 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3kbp h LEU 136 CO 0.48 -0.65 0.00 0.61 -0.34 0.00 0.00 178.44 178.53 3kbp n GLY 137 N -1.56 -0.22 2.49 3.75 0.00 -0.89 -1.30 105.19 107.46 3kbp n GLY 137 Ca -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 3kbp n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbp n GLN 138 N -0.51 1.88 -2.12 1.61 10.64 -1.25 -4.84 117.38 122.78 3kbp n GLN 138 Ca 0.00 -3.46 -0.28 0.00 -1.83 0.00 0.00 57.00 51.43 3kbp n GLN 138 Cb 0.00 -1.56 0.16 0.00 -0.86 0.00 0.00 30.24 27.98 3kbp n GLN 138 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3kbp s SER 139 N -3.56 3.56 0.24 2.61 1.04 -1.16 -1.57 113.70 114.85 3kbp s SER 139 Ca 0.32 0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 3kbp s SER 139 Cb 0.34 -0.28 0.26 0.00 0.10 0.00 0.00 66.02 66.44 3kbp s SER 139 CO -0.04 -2.43 1.73 -0.26 0.98 0.00 0.00 173.24 173.22 3kbp h PHE 140 N -1.28 0.95 -0.42 5.02 0.04 -1.87 -2.22 116.94 117.15 3kbp h PHE 140 Ca -0.42 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.29 3kbp h PHE 140 Cb 1.25 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 39.07 3kbp h PHE 140 CO -0.79 0.85 0.01 -0.44 -0.60 0.00 0.00 178.31 177.34 3kbp h ASP 141 N 0.82 -0.16 -0.66 2.17 3.32 -1.90 0.20 116.42 120.22 3kbp h ASP 141 Ca 0.16 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.41 3kbp h ASP 141 Cb 0.47 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.11 3kbp h ASP 141 CO 0.02 -0.04 0.25 0.28 -1.72 0.00 0.00 179.24 178.02 3kbp h SER 142 N 0.12 0.23 -0.57 6.45 0.02 -1.54 0.36 113.55 118.62 3kbp h SER 142 Ca 0.21 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.32 3kbp h SER 142 Cb 0.30 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 3kbp h SER 142 CO -0.34 0.12 0.25 -1.13 -1.14 0.00 0.00 176.83 174.59 3kbp h ASN 143 N 0.42 0.30 0.47 3.07 -1.24 -0.32 -1.79 115.58 116.49 3kbp h ASN 143 Ca 0.34 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.39 3kbp h ASN 143 Cb 0.46 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3kbp h ASN 143 CO -0.34 0.20 -0.31 0.74 -1.29 0.00 0.00 177.43 176.43 3kbp h THR 144 N 0.46 0.36 -0.15 -3.57 2.02 0.12 -2.09 112.91 110.07 3kbp h THR 144 Ca 0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.49 3kbp h THR 144 Cb 0.26 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 3kbp h THR 144 CO -0.23 0.00 -0.48 0.74 0.37 0.00 0.00 175.52 175.92 3kbp h THR 145 N -0.75 0.07 -1.03 3.16 2.02 -0.68 0.19 112.91 115.89 3kbp h THR 145 Ca -0.05 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.42 3kbp h THR 145 Cb 0.62 0.07 -0.13 0.00 -1.74 0.00 0.00 68.15 66.98 3kbp h THR 145 CO 0.04 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.80 3kbp h LEU 146 N -0.53 0.55 -0.13 2.58 5.85 -1.21 0.30 115.31 122.72 3kbp h LEU 146 Ca 0.06 0.14 -0.24 0.00 0.84 0.00 0.00 57.88 58.69 3kbp h LEU 146 Cb 0.65 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3kbp h LEU 146 CO -0.43 0.00 -0.89 0.77 -0.34 0.00 0.00 178.44 177.55 3kbp h SER 147 N 0.43 0.83 -0.59 1.25 4.64 -0.23 0.16 113.55 120.05 3kbp h SER 147 Ca 0.68 -0.60 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3kbp h SER 147 Cb 1.52 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 3kbp h SER 147 CO -0.48 1.40 0.36 0.45 -0.87 0.00 0.00 176.83 177.69 3kbp h HIS 148 N 0.42 0.68 -0.62 4.77 3.86 0.24 -1.34 115.15 123.15 3kbp h HIS 148 Ca -0.08 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 3kbp h HIS 148 Cb 1.52 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.75 3kbp h HIS 148 CO 0.08 0.39 0.08 -0.92 0.86 0.00 0.00 177.93 178.43 3kbp h TYR 149 N 0.72 1.10 0.00 2.45 3.20 -0.84 0.60 116.97 124.20 3kbp h TYR 149 Ca 0.23 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3kbp h TYR 149 Cb 0.01 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.97 3kbp h TYR 149 CO -0.05 0.94 0.00 0.93 -1.64 0.00 0.00 178.16 178.33 3kbp h GLU 150 N 0.97 0.00 0.00 1.82 5.08 -0.01 -2.99 114.58 119.45 3kbp h GLU 150 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kbp h GLU 150 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kbp h GLU 150 CO 0.01 0.00 -0.68 1.28 -1.00 0.00 0.00 179.01 178.62 3kbp n LEU 151 N -2.60 0.10 -4.71 1.33 4.77 -0.46 -5.00 117.00 110.43 3kbp n LEU 151 Ca -0.02 -0.26 -0.65 0.00 -0.03 0.00 0.00 56.01 55.05 3kbp n LEU 151 Cb 0.07 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3kbp n LEU 151 CO 0.15 0.03 1.11 -1.20 -1.33 0.00 0.00 177.39 176.14 3kbp n SER 152 N -1.37 1.28 -0.22 -1.43 7.64 0.08 -4.76 113.62 114.84 3kbp n SER 152 Ca 0.00 1.17 0.02 0.00 1.01 0.00 0.00 58.87 61.07 3kbp n SER 152 Cb 0.09 -0.93 0.13 0.00 -1.01 0.00 0.00 64.21 62.49 3kbp n SER 152 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kbp h PRO 153 N 5.13 0.25 -6.26 1.43 0.13 -1.91 -3.24 132.00 127.53 3kbp h PRO 153 Ca -0.45 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 3kbp h PRO 153 Cb 1.37 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 3kbp h PRO 153 CO 0.94 0.16 0.98 -1.59 -0.23 0.00 0.00 178.00 178.26 3kbp s LYS 154 N -6.09 4.02 -0.18 0.86 0.00 -1.26 -4.94 119.74 112.15 3kbp s LYS 154 Ca -0.13 1.53 -0.20 0.00 0.00 0.00 0.00 55.97 57.17 3kbp s LYS 154 Cb 0.19 -3.87 -0.03 0.00 0.00 0.00 0.00 37.83 34.12 3kbp s LYS 154 CO 0.75 -0.99 0.57 -1.59 0.00 0.00 0.00 175.35 174.09 3kbp s LYS 155 N 4.02 4.24 0.55 1.78 0.00 -1.22 -5.02 119.74 124.08 3kbp s LYS 155 Ca 0.60 0.54 -0.21 0.00 0.00 0.00 0.00 55.97 56.89 3kbp s LYS 155 Cb -0.21 -3.54 -0.05 0.00 0.00 0.00 0.00 37.83 34.03 3kbp s LYS 155 CO 0.22 -0.13 1.28 0.20 0.00 0.00 0.00 175.35 176.91 3kbp s GLY 156 N 1.07 2.83 -0.00 0.59 0.00 -1.26 -4.80 107.32 105.75 3kbp s GLY 156 Ca 0.27 1.17 0.04 0.00 0.00 0.00 0.00 44.72 46.20 3kbp s GLY 156 CO 0.11 1.63 0.15 -1.06 0.00 0.00 0.00 173.10 173.93 3kbp n GLN 157 N -1.15 4.67 -3.61 2.90 6.02 0.12 -4.97 117.38 121.36 3kbp n GLN 157 Ca 0.11 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.96 3kbp n GLN 157 Cb 0.47 -0.76 -0.07 0.00 1.02 0.00 0.00 30.24 30.90 3kbp n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kbp s THR 158 N -1.54 0.00 -0.21 5.09 2.01 -1.24 -4.55 115.64 115.20 3kbp s THR 158 Ca 0.01 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 3kbp s THR 158 Cb 0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 3kbp s THR 158 CO 0.16 0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 3kbp s VAL 159 N 0.12 4.21 -0.30 3.82 1.01 -0.74 0.20 120.40 128.72 3kbp s VAL 159 Ca -0.01 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 3kbp s VAL 159 Cb -0.04 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3kbp s VAL 159 CO 0.01 0.41 0.66 -0.76 0.00 0.00 0.00 175.10 175.42 3kbp s LEU 160 N 1.05 4.12 -0.35 3.92 1.43 0.11 -0.32 118.68 128.63 3kbp s LEU 160 Ca 0.03 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 3kbp s LEU 160 Cb -0.14 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 3kbp s LEU 160 CO 0.02 -0.48 0.30 0.12 0.23 0.00 0.00 176.35 176.54 3kbp s PHE 161 N 2.65 3.22 -1.07 0.29 2.19 -0.12 -2.41 117.98 122.73 3kbp s PHE 161 Ca 0.27 -0.20 0.02 0.00 0.33 0.00 0.00 56.93 57.35 3kbp s PHE 161 Cb -0.15 -2.57 0.10 0.00 -1.31 0.00 0.00 43.02 39.09 3kbp s PHE 161 CO 0.11 -0.42 0.71 1.55 1.83 0.00 0.00 175.22 179.00 3kbp n VAL 162 N 5.17 0.30 0.00 3.12 3.14 -0.75 -2.54 118.33 126.77 3kbp n VAL 162 Ca -0.11 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 3kbp n VAL 162 Cb 0.49 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 3kbp n VAL 162 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kbp n GLY 163 N 0.16 2.72 2.74 7.55 0.00 -1.16 -4.15 105.19 113.06 3kbp n GLY 163 Ca 0.03 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 3kbp n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kbp n ASP 164 N 0.00 -6.59 -0.06 1.61 9.92 -1.26 -0.86 116.55 119.30 3kbp n ASP 164 Ca 0.00 1.35 -0.22 0.00 -0.53 0.00 0.00 54.79 55.39 3kbp n ASP 164 Cb 0.00 -5.02 -0.12 0.00 -0.64 0.00 0.00 41.12 35.34 3kbp n ASP 164 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kbp n LEU 165 N 0.96 2.14 0.00 0.64 4.32 -1.26 -3.10 117.00 120.70 3kbp n LEU 165 Ca -0.08 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 3kbp n LEU 165 Cb 0.15 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 3kbp n LEU 165 CO 0.40 0.49 -0.02 -1.54 -1.22 0.00 0.00 177.39 175.51 3kbp n SER 166 N -4.09 0.18 -1.68 -1.43 3.41 -1.26 -2.09 113.62 106.65 3kbp n SER 166 Ca -0.32 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.02 3kbp n SER 166 Cb 0.82 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 3kbp n SER 166 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kbp n TYR 167 N -0.19 -0.23 0.28 7.33 4.02 -1.26 -4.49 117.16 122.61 3kbp n TYR 167 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 3kbp n TYR 167 Cb 0.00 -3.42 0.81 0.00 -0.02 0.00 0.00 39.34 36.71 3kbp n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kbp h ALA 168 N 0.23 1.67 0.00 -0.72 0.00 -1.90 -0.68 119.26 117.86 3kbp h ALA 168 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kbp h ALA 168 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kbp h ALA 168 CO 0.58 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 3kbp n ASP 169 N -4.07 0.00 0.05 0.00 5.75 -1.26 -1.24 116.55 115.79 3kbp n ASP 169 Ca -0.03 -0.51 -0.04 0.00 -0.01 0.00 0.00 54.79 54.20 3kbp n ASP 169 Cb 0.10 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 3kbp n ASP 169 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3kbp h ARG 170 N 0.00 0.00 -7.35 0.11 3.08 -1.49 -3.43 114.38 105.31 3kbp h ARG 170 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3kbp h ARG 170 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.18 3kbp h ARG 170 CO 0.00 0.63 0.30 0.71 -1.07 0.00 0.00 179.97 180.54 3kbp s TYR 171 N -2.79 2.61 0.19 3.04 1.51 -0.37 -4.94 117.35 116.61 3kbp s TYR 171 Ca -0.00 1.33 -0.30 0.00 -1.01 0.00 0.00 57.07 57.08 3kbp s TYR 171 Cb 0.09 -3.09 -0.09 0.00 -0.11 0.00 0.00 41.96 38.77 3kbp s TYR 171 CO 0.80 -1.94 1.29 -1.25 -1.11 0.00 0.00 175.55 173.34 3kbp s PRO 172 N -5.00 4.41 -1.80 -1.71 0.04 -1.26 -2.13 135.00 127.55 3kbp s PRO 172 Ca 0.61 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3kbp s PRO 172 Cb -0.16 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3kbp s PRO 172 CO 0.56 -0.23 0.00 0.09 0.04 0.00 0.00 177.00 177.46 3kbp n ASN 173 N 2.63 -5.75 -2.32 6.66 5.03 -1.26 -0.92 115.26 119.32 3kbp n ASN 173 Ca 0.06 0.06 -0.11 0.00 0.87 0.00 0.00 54.58 55.46 3kbp n ASN 173 Cb 0.43 -4.82 -0.01 0.00 -1.02 0.00 0.00 39.78 34.36 3kbp n ASN 173 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kbp n HIS 174 N -3.76 -1.35 0.00 3.10 8.25 -0.90 -4.31 115.22 116.25 3kbp n HIS 174 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3kbp n HIS 174 Cb 0.68 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 29.19 3kbp n HIS 174 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kbp n ASP 175 N -1.62 0.00 0.00 0.41 -0.08 -0.10 -4.52 116.55 110.64 3kbp n ASP 175 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3kbp n ASP 175 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3kbp n ASP 175 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3kbp n ASN 176 N 0.00 0.00 -0.18 1.67 5.03 -1.26 -0.63 115.26 119.90 3kbp n ASN 176 Ca 0.00 0.12 -0.04 0.00 0.87 0.00 0.00 54.58 55.54 3kbp n ASN 176 Cb 0.00 -0.12 0.16 0.00 -1.02 0.00 0.00 39.78 38.80 3kbp n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3kbp h VAL 177 N 0.00 1.23 0.00 2.41 2.07 -1.97 -0.26 116.25 119.73 3kbp h VAL 177 Ca 0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kbp h VAL 177 Cb 0.21 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3kbp h VAL 177 CO 0.00 0.31 0.03 0.03 0.02 0.00 0.00 177.57 177.95 3kbp h ARG 178 N 0.91 0.00 0.25 1.57 2.47 -1.18 1.25 114.38 119.64 3kbp h ARG 178 Ca 0.20 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.58 3kbp h ARG 178 Cb 0.26 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.61 3kbp h ARG 178 CO -0.01 0.00 -1.53 -1.49 0.56 0.00 0.00 179.97 177.50 3kbp h TRP 179 N 0.00 0.95 -0.36 3.04 4.06 -1.24 -2.68 115.95 119.73 3kbp h TRP 179 Ca 0.00 -0.69 -0.05 0.00 2.06 0.00 0.00 58.89 60.21 3kbp h TRP 179 Cb 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3kbp h TRP 179 CO 0.00 1.59 0.04 -0.44 -3.56 0.00 0.00 178.44 176.07 3kbp h ASP 180 N 0.14 0.59 0.02 -3.49 3.32 0.18 -1.67 116.42 115.50 3kbp h ASP 180 Ca -0.27 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.51 3kbp h ASP 180 Cb 2.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.55 3kbp h ASP 180 CO 0.26 0.72 -0.04 0.71 -1.72 0.00 0.00 179.24 179.17 3kbp h THR 181 N 0.44 0.89 -0.68 0.35 1.35 -0.87 -1.58 112.91 112.80 3kbp h THR 181 Ca 0.11 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.07 3kbp h THR 181 Cb 0.39 0.89 -0.08 0.00 -1.73 0.00 0.00 68.15 67.62 3kbp h THR 181 CO 0.01 0.00 0.30 -0.25 -0.25 0.00 0.00 175.52 175.33 3kbp h TRP 182 N -0.09 0.54 -0.81 4.73 7.01 -1.40 0.38 115.95 126.30 3kbp h TRP 182 Ca 0.01 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.11 3kbp h TRP 182 Cb 0.10 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3kbp h TRP 182 CO -0.11 0.16 0.53 0.78 -2.79 0.00 0.00 178.44 177.01 3kbp h GLY 183 N 0.51 1.12 1.32 2.65 0.00 -0.74 -0.85 103.07 107.08 3kbp h GLY 183 Ca 0.35 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 3kbp h GLY 183 CO -0.30 0.25 -0.95 3.21 0.00 0.00 0.00 176.54 178.75 3kbp h ARG 184 N 0.87 0.62 0.54 4.80 3.08 0.42 -3.05 114.38 121.66 3kbp h ARG 184 Ca 0.35 -0.63 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3kbp h ARG 184 Cb 0.25 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3kbp h ARG 184 CO -0.13 1.24 -0.42 0.35 -1.07 0.00 0.00 179.97 179.94 3kbp h PHE 185 N 0.37 -1.12 0.00 3.04 3.57 0.73 -2.95 116.94 120.58 3kbp h PHE 185 Ca -0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3kbp h PHE 185 Cb 1.59 0.42 0.00 0.00 2.79 0.00 0.00 35.95 40.75 3kbp h PHE 185 CO 0.08 -0.60 0.00 0.25 -2.23 0.00 0.00 178.31 175.82 3kbp n THR 186 N -5.53 0.68 -0.35 4.41 -2.24 -0.44 -4.11 114.28 106.70 3kbp n THR 186 Ca -0.12 0.10 0.23 0.00 -2.27 0.00 0.00 64.05 61.99 3kbp n THR 186 Cb 0.42 -0.87 0.47 0.00 -2.10 0.00 0.00 70.33 68.25 3kbp n THR 186 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kbp h GLU 187 N 0.00 0.39 -0.23 -0.78 4.81 -1.40 0.58 114.58 117.96 3kbp h GLU 187 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3kbp h GLU 187 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3kbp h GLU 187 CO 0.00 0.26 0.28 0.07 -0.73 0.00 0.00 179.01 178.89 3kbp h ARG 188 N 0.40 0.00 0.00 1.92 0.11 -1.79 0.25 114.38 115.28 3kbp h ARG 188 Ca 0.68 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.76 3kbp h ARG 188 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 3kbp h ARG 188 CO -0.47 0.00 -0.32 0.45 0.10 0.00 0.00 179.97 179.73 3kbp n SER 189 N -3.68 0.69 0.27 0.08 2.88 0.17 -4.65 113.62 109.39 3kbp n SER 189 Ca 0.03 0.18 0.18 0.00 -1.33 0.00 0.00 58.87 57.92 3kbp n SER 189 Cb 0.42 -0.60 0.87 0.00 -0.75 0.00 0.00 64.21 64.15 3kbp n SER 189 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3kbp h VAL 190 N -0.36 0.15 0.00 2.46 -1.51 -1.40 0.18 116.25 115.77 3kbp h VAL 190 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kbp h VAL 190 Cb 0.32 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3kbp h VAL 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3kbp n ALA 191 N -2.08 2.08 -0.00 5.19 0.00 0.07 -1.37 120.51 124.40 3kbp n ALA 191 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3kbp n ALA 191 Cb 0.36 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 3kbp n ALA 191 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kbp n TYR 192 N -2.01 0.00 -3.76 0.00 4.01 0.01 -4.58 117.16 110.82 3kbp n TYR 192 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 3kbp n TYR 192 Cb 0.34 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.10 3kbp n TYR 192 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3kbp s GLN 193 N -2.43 0.24 0.56 -0.72 -2.07 -0.93 -4.45 119.66 109.86 3kbp s GLN 193 Ca -0.02 0.42 -0.21 0.00 -1.82 0.00 0.00 55.36 53.73 3kbp s GLN 193 Cb 0.04 0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.92 3kbp s GLN 193 CO 0.25 -0.09 1.17 -0.35 -1.32 0.00 0.00 175.29 174.95 3kbp n PRO 194 N 3.54 1.30 -5.01 9.60 -0.04 -1.26 -4.18 135.00 138.95 3kbp n PRO 194 Ca -0.19 0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 3kbp n PRO 194 Cb 0.56 -2.35 -0.17 0.00 -0.04 0.00 0.00 33.50 31.50 3kbp n PRO 194 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kbp s TRP 195 N -1.38 2.18 -0.20 0.54 0.52 -1.24 -1.79 118.94 117.57 3kbp s TRP 195 Ca 0.73 -0.86 -0.20 0.00 0.02 0.00 0.00 56.10 55.80 3kbp s TRP 195 Cb -0.43 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 3kbp s TRP 195 CO 0.48 -0.36 0.58 0.42 0.02 0.00 0.00 176.95 178.10 3kbp s ILE 196 N 0.42 5.05 0.02 2.03 -1.09 0.56 -4.74 121.20 123.46 3kbp s ILE 196 Ca -0.17 1.09 -0.21 0.00 -2.23 0.00 0.00 60.65 59.13 3kbp s ILE 196 Cb -0.17 -3.90 -0.06 0.00 -1.58 0.00 0.00 42.46 36.75 3kbp s ILE 196 CO 0.07 0.13 0.60 0.26 -1.23 0.00 0.00 174.94 174.78 3kbp s TRP 197 N 1.83 3.72 -0.08 3.97 0.52 -1.26 -0.95 118.94 126.70 3kbp s TRP 197 Ca 0.27 1.25 0.02 0.00 0.02 0.00 0.00 56.10 57.65 3kbp s TRP 197 Cb -0.16 -2.60 0.02 0.00 -1.15 0.00 0.00 33.47 29.58 3kbp s TRP 197 CO 0.10 0.41 -0.11 0.99 0.02 0.00 0.00 176.95 178.36 3kbp s THR 198 N -0.43 1.11 0.04 2.01 2.01 -1.05 -5.00 115.64 114.33 3kbp s THR 198 Ca 0.31 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 3kbp s THR 198 Cb -0.19 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 3kbp s THR 198 CO 0.18 0.36 1.55 0.00 -0.69 0.00 0.00 174.62 176.02 3kbp s ALA 199 N 0.91 3.64 0.40 7.40 0.00 -1.26 -2.98 121.76 129.87 3kbp s ALA 199 Ca -0.10 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.02 3kbp s ALA 199 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 3kbp s ALA 199 CO 0.01 -1.02 0.41 0.20 0.00 0.00 0.00 175.76 175.36 3kbp s GLY 200 N 2.17 2.04 0.35 0.00 0.00 -1.26 -4.62 107.32 105.99 3kbp s GLY 200 Ca 0.70 -1.80 0.09 0.00 0.00 0.00 0.00 44.72 43.71 3kbp s GLY 200 CO 0.30 -1.63 1.81 3.45 0.00 0.00 0.00 173.10 177.03 3kbp h ASN 201 N 0.97 0.19 0.48 1.64 -1.07 -1.95 -0.20 115.58 115.64 3kbp h ASN 201 Ca -0.42 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3kbp h ASN 201 Cb 1.27 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 3kbp h ASN 201 CO 0.55 0.48 0.00 0.45 0.07 0.00 0.00 177.43 178.98 3kbp h HIS 202 N 0.17 0.00 0.00 4.14 3.86 -1.97 -2.20 115.15 119.15 3kbp h HIS 202 Ca 0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 3kbp h HIS 202 Cb 0.60 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 3kbp h HIS 202 CO 0.01 0.00 -0.60 0.93 0.86 0.00 0.00 177.93 179.13 3kbp h GLU 203 N 0.00 0.00 -0.18 2.45 3.07 -1.42 -3.36 114.58 115.14 3kbp h GLU 203 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3kbp h GLU 203 Cb 0.24 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 3kbp h GLU 203 CO 0.00 0.60 -0.30 0.82 -1.40 0.00 0.00 179.01 178.73 3kbp h ILE 204 N 0.00 0.30 -6.16 3.13 2.04 -1.36 -3.27 117.51 112.19 3kbp h ILE 204 Ca -0.01 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 65.43 3kbp h ILE 204 Cb 1.39 0.30 0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3kbp h ILE 204 CO 0.08 0.00 -0.86 -0.62 0.00 0.00 0.00 178.15 176.75 3kbp n GLU 205 N -5.40 -3.85 -2.74 2.37 1.02 -1.26 -0.39 120.64 110.39 3kbp n GLU 205 Ca -0.02 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 3kbp n GLU 205 Cb 0.32 -4.91 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 3kbp n GLU 205 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbp s PHE 206 N -3.69 2.59 -0.69 -0.32 5.36 -1.26 -4.75 117.98 115.22 3kbp s PHE 206 Ca 0.10 -0.52 0.05 0.00 -0.96 0.00 0.00 56.93 55.59 3kbp s PHE 206 Cb -0.03 -4.44 0.26 0.00 -0.34 0.00 0.00 43.02 38.48 3kbp s PHE 206 CO 0.83 -1.79 0.85 0.00 -1.46 0.00 0.00 175.22 173.65 3kbp n ALA 207 N 8.21 4.26 -0.30 11.12 0.00 0.49 -4.90 120.51 139.40 3kbp n ALA 207 Ca 0.05 -4.78 0.12 0.00 0.00 0.00 0.00 53.44 48.83 3kbp n ALA 207 Cb 0.47 -1.06 0.28 0.00 0.00 0.00 0.00 19.45 19.15 3kbp n ALA 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kbp h PRO 208 N 4.22 0.39 -0.89 0.00 0.11 -1.81 -0.57 132.00 133.46 3kbp h PRO 208 Ca 0.20 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.45 3kbp h PRO 208 Cb 0.64 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.56 3kbp h PRO 208 CO 0.90 0.26 0.47 0.93 -0.21 0.00 0.00 178.00 180.34 3kbp h GLU 209 N 0.41 0.60 -0.69 1.05 3.07 -1.90 0.17 114.58 117.29 3kbp h GLU 209 Ca 0.53 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 59.17 3kbp h GLU 209 Cb 0.97 -0.14 -0.11 0.00 -0.84 0.00 0.00 28.75 28.64 3kbp h GLU 209 CO -0.51 0.40 0.23 0.44 -1.40 0.00 0.00 179.01 178.16 3kbp n ILE 210 N -4.87 2.89 -2.27 3.13 -5.35 -0.36 -4.91 119.36 107.62 3kbp n ILE 210 Ca 0.19 -1.67 -0.21 0.00 -0.27 0.00 0.00 62.75 60.79 3kbp n ILE 210 Cb 0.49 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.02 3kbp n ILE 210 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kbp n ASN 211 N -0.14 -5.81 -4.43 7.28 3.02 0.60 -4.91 115.26 110.88 3kbp n ASN 211 Ca 0.39 0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.64 3kbp n ASN 211 Cb 1.34 -4.88 -0.12 0.00 -0.61 0.00 0.00 39.78 35.51 3kbp n ASN 211 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kbp s GLU 212 N -4.84 3.48 -0.01 3.52 0.41 -0.43 -4.94 118.70 115.90 3kbp s GLU 212 Ca 0.00 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 53.97 3kbp s GLU 212 Cb 0.00 -3.40 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 3kbp s GLU 212 CO 0.00 -0.29 0.81 0.25 -0.49 0.00 0.00 175.26 175.54 3kbp n THR 213 N 4.93 0.16 -3.54 3.63 -2.24 -1.26 -0.38 114.28 115.58 3kbp n THR 213 Ca -0.15 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3kbp n THR 213 Cb 0.50 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 3kbp n THR 213 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kbp s GLU 214 N -0.22 2.77 0.29 -0.78 2.12 -1.26 -4.95 118.70 116.68 3kbp s GLU 214 Ca 0.02 -1.30 -0.28 0.00 0.36 0.00 0.00 54.97 53.76 3kbp s GLU 214 Cb 0.02 -3.86 -0.14 0.00 0.26 0.00 0.00 34.13 30.40 3kbp s GLU 214 CO 0.00 -0.89 1.00 -2.30 -0.54 0.00 0.00 175.26 172.53 3kbp n PRO 215 N 5.02 1.33 -1.80 4.30 -0.02 -1.26 -2.57 135.00 140.01 3kbp n PRO 215 Ca -0.11 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.63 3kbp n PRO 215 Cb 0.44 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3kbp n PRO 215 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kbp n PHE 216 N 0.20 -0.28 0.07 6.00 3.72 0.48 -4.96 117.46 122.69 3kbp n PHE 216 Ca 0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.46 3kbp n PHE 216 Cb 0.32 -3.55 -0.02 0.00 -0.94 0.00 0.00 39.48 35.29 3kbp n PHE 216 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3kbp h LYS 217 N 0.00 -0.22 -0.95 -1.08 3.64 -1.73 0.22 116.57 116.46 3kbp h LYS 217 Ca -0.43 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.09 3kbp h LYS 217 Cb 1.34 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.13 3kbp h LYS 217 CO 0.60 -0.15 0.60 -1.35 -2.27 0.00 0.00 179.45 176.89 3kbp h PRO 218 N -0.23 0.84 -0.07 1.90 0.11 -1.89 -0.72 132.00 131.94 3kbp h PRO 218 Ca -0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3kbp h PRO 218 Cb 0.19 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kbp h PRO 218 CO 0.00 0.55 0.04 0.35 -0.21 0.00 0.00 178.00 178.74 3kbp h PHE 219 N 0.86 0.09 -0.27 0.65 3.57 -1.80 -1.88 116.94 118.17 3kbp h PHE 219 Ca 0.47 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 3kbp h PHE 219 Cb 0.57 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3kbp h PHE 219 CO -0.00 0.11 0.11 0.66 -2.23 0.00 0.00 178.31 176.96 3kbp h SER 220 N 0.04 0.33 0.39 0.41 4.64 0.82 0.14 113.55 120.33 3kbp h SER 220 Ca 0.02 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3kbp h SER 220 Cb 0.05 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3kbp h SER 220 CO -0.00 0.31 -0.76 1.88 -0.87 0.00 0.00 176.83 177.39 3kbp h TYR 221 N 0.38 0.41 0.19 4.77 0.05 -0.49 -3.32 116.97 118.95 3kbp h TYR 221 Ca 0.10 -0.19 -0.35 0.00 0.05 0.00 0.00 58.73 58.33 3kbp h TYR 221 Cb 0.08 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 37.77 3kbp h TYR 221 CO 0.00 0.94 -1.74 0.00 -1.05 0.00 0.00 178.16 176.32 3kbp h ARG 222 N 0.19 0.39 -5.04 4.88 3.08 -0.46 -3.45 114.38 113.98 3kbp h ARG 222 Ca -0.03 -0.67 -0.66 0.00 0.07 0.00 0.00 59.98 58.69 3kbp h ARG 222 Cb 1.33 0.25 -0.28 0.00 0.08 0.00 0.00 29.97 31.35 3kbp h ARG 222 CO 0.12 1.31 -0.74 0.71 -1.07 0.00 0.00 179.97 180.30 3kbp s TYR 223 N -2.58 2.92 0.18 3.04 2.02 0.37 -4.99 117.35 118.32 3kbp s TYR 223 Ca -0.15 -0.99 0.09 0.00 -0.37 0.00 0.00 57.07 55.65 3kbp s TYR 223 Cb 0.05 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 3kbp s TYR 223 CO 0.86 -0.54 -0.07 -1.01 -1.57 0.00 0.00 175.55 173.22 3kbp s HIS 224 N 1.32 2.68 0.05 2.71 3.76 -1.26 -4.55 115.29 120.00 3kbp s HIS 224 Ca 0.04 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 3kbp s HIS 224 Cb -0.14 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.22 3kbp s HIS 224 CO -0.04 0.52 -0.05 0.14 -0.85 0.00 0.00 174.74 174.46 3kbp s VAL 225 N -1.74 0.36 -1.32 -0.90 -7.23 -1.26 -4.93 120.40 103.39 3kbp s VAL 225 Ca 0.26 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.02 3kbp s VAL 225 Cb -0.09 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 3kbp s VAL 225 CO 0.16 -0.61 2.48 -0.81 -0.31 0.00 0.00 175.10 176.01 3kbp n PRO 226 N 1.02 2.87 0.11 4.82 -0.04 -1.26 -4.58 135.00 137.94 3kbp n PRO 226 Ca -0.20 -2.05 -0.02 0.00 -0.04 0.00 0.00 63.50 61.18 3kbp n PRO 226 Cb 0.57 -2.83 0.19 0.00 -0.04 0.00 0.00 33.50 31.39 3kbp n PRO 226 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3kbp h TYR 227 N 5.87 0.19 0.00 0.54 -0.00 -1.91 -2.22 116.97 119.43 3kbp h TYR 227 Ca 0.67 -0.06 0.00 0.00 -0.00 0.00 0.00 58.73 59.33 3kbp h TYR 227 Cb 0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 37.06 3kbp h TYR 227 CO 1.75 0.65 0.00 0.93 -0.00 0.00 0.00 178.16 181.49 3kbp h GLU 228 N 0.12 0.00 -0.67 0.10 3.07 -1.81 -2.62 114.58 112.78 3kbp h GLU 228 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 3kbp h GLU 228 Cb 0.98 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.86 3kbp h GLU 228 CO 0.08 0.00 0.32 0.00 -1.40 0.00 0.00 179.01 178.01 3kbp h ALA 229 N 2.12 0.86 -3.11 3.43 0.00 -1.74 -3.40 119.26 117.41 3kbp h ALA 229 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kbp h ALA 229 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kbp h ALA 229 CO 0.00 0.42 0.00 0.43 0.00 0.00 0.00 179.25 180.10 3kbp n SER 230 N -4.46 0.00 -2.36 0.00 7.64 -1.01 -4.79 113.62 108.64 3kbp n SER 230 Ca 0.05 -0.99 -0.31 0.00 1.01 0.00 0.00 58.87 58.63 3kbp n SER 230 Cb 0.13 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.37 3kbp n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp n GLN 231 N -0.99 3.14 -2.33 1.43 3.00 -1.26 -4.95 117.38 115.42 3kbp n GLN 231 Ca 0.00 -3.84 -0.35 0.00 -0.01 0.00 0.00 57.00 52.80 3kbp n GLN 231 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 30.24 27.96 3kbp n GLN 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3kbp s SER 232 N -2.58 5.88 -0.12 1.08 0.15 -1.08 -4.92 113.70 112.11 3kbp s SER 232 Ca 0.55 2.12 0.15 0.00 0.70 0.00 0.00 55.95 59.48 3kbp s SER 232 Cb 0.45 -2.58 0.56 0.00 -1.71 0.00 0.00 66.02 62.73 3kbp s SER 232 CO -0.10 -1.11 1.47 0.35 1.20 0.00 0.00 173.24 175.05 3kbp n THR 233 N -1.20 1.87 -3.63 6.45 -2.24 -1.26 -4.24 114.28 110.03 3kbp n THR 233 Ca 0.11 -1.42 -0.13 0.00 -2.27 0.00 0.00 64.05 60.35 3kbp n THR 233 Cb 0.51 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 3kbp n THR 233 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kbp s SER 234 N -1.30 -0.72 0.00 3.42 0.15 -1.26 -5.03 113.70 108.96 3kbp s SER 234 Ca 0.41 1.37 0.11 0.00 0.70 0.00 0.00 55.95 58.54 3kbp s SER 234 Cb 0.29 1.38 0.52 0.00 -1.71 0.00 0.00 66.02 66.50 3kbp s SER 234 CO 0.16 -0.23 1.32 -0.81 1.20 0.00 0.00 173.24 174.88 3kbp n PRO 235 N 2.74 0.07 0.00 5.44 -0.04 -1.26 -2.94 135.00 139.01 3kbp n PRO 235 Ca -0.14 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 3kbp n PRO 235 Cb 0.55 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.08 3kbp n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kbp n PHE 236 N -1.41 0.00 -3.71 0.54 3.72 -1.26 -4.76 117.46 110.58 3kbp n PHE 236 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 3kbp n PHE 236 Cb 0.11 -0.49 -0.10 0.00 -0.94 0.00 0.00 39.48 38.06 3kbp n PHE 236 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 3kbp s TRP 237 N -2.98 -0.53 0.01 1.38 -2.14 -1.15 -3.73 118.94 109.80 3kbp s TRP 237 Ca 0.13 1.21 -0.03 0.00 2.66 0.00 0.00 56.10 60.07 3kbp s TRP 237 Cb 0.17 0.21 0.01 0.00 -3.10 0.00 0.00 33.47 30.76 3kbp s TRP 237 CO 0.48 -0.28 0.14 2.48 -2.66 0.00 0.00 176.95 177.11 3kbp n TYR 238 N 3.44 -0.46 -3.68 1.66 4.11 -0.82 -4.70 117.16 116.70 3kbp n TYR 238 Ca -0.17 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.90 57.50 3kbp n TYR 238 Cb 0.56 0.06 -0.05 0.00 -0.00 0.00 0.00 39.34 39.91 3kbp n TYR 238 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3kbp s SER 239 N -1.32 -0.17 -0.01 9.48 1.04 -1.26 -0.07 113.70 121.40 3kbp s SER 239 Ca 0.03 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 3kbp s SER 239 Cb -0.00 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3kbp s SER 239 CO 0.00 -0.84 0.21 0.27 0.98 0.00 0.00 173.24 173.87 3kbp s ILE 240 N -3.82 0.07 -0.06 -1.02 -4.36 -0.30 -4.53 121.20 107.18 3kbp s ILE 240 Ca 0.04 -0.59 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 3kbp s ILE 240 Cb 0.02 -0.51 -0.03 0.00 1.25 0.00 0.00 42.46 43.19 3kbp s ILE 240 CO -0.11 -0.32 -0.06 -0.54 0.24 0.00 0.00 174.94 174.14 3kbp s LYS 241 N -1.35 2.76 -0.18 0.37 1.02 0.67 -0.57 119.74 122.46 3kbp s LYS 241 Ca -0.14 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.18 3kbp s LYS 241 Cb -0.07 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 3kbp s LYS 241 CO 0.03 0.66 0.45 0.50 -0.92 0.00 0.00 175.35 176.07 3kbp s ARG 242 N -0.90 0.47 5.12 1.68 3.52 -0.51 -4.14 118.95 124.19 3kbp s ARG 242 Ca 0.13 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 3kbp s ARG 242 Cb -0.11 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 3kbp s ARG 242 CO 0.02 -0.12 0.00 0.00 -0.81 0.00 0.00 175.30 174.40 3kbp n ALA 243 N 3.65 0.00 0.67 6.12 0.00 -1.26 -0.60 120.51 129.10 3kbp n ALA 243 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.33 3kbp n ALA 243 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3kbp n ALA 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kbp n SER 244 N 7.31 2.05 -4.93 0.00 3.41 -1.23 -2.12 113.62 118.10 3kbp n SER 244 Ca 0.00 -1.52 -0.29 0.00 -0.26 0.00 0.00 58.87 56.80 3kbp n SER 244 Cb 0.00 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3kbp n SER 244 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbp s ALA 245 N -1.51 3.97 -0.21 7.33 0.00 0.23 -2.49 121.76 129.08 3kbp s ALA 245 Ca 0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3kbp s ALA 245 Cb 0.13 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.43 3kbp s ALA 245 CO 0.27 0.68 -0.12 -1.58 0.00 0.00 0.00 175.76 175.01 3kbp s HIS 246 N -1.63 2.91 -0.17 0.00 2.46 0.11 -1.43 115.29 117.54 3kbp s HIS 246 Ca 0.35 -1.41 -0.03 0.00 0.47 0.00 0.00 55.06 54.44 3kbp s HIS 246 Cb -0.12 -2.01 -0.02 0.00 -0.13 0.00 0.00 32.58 30.30 3kbp s HIS 246 CO 0.28 -0.71 -0.06 0.42 -2.47 0.00 0.00 174.74 172.20 3kbp s ILE 247 N 1.35 3.51 -0.12 0.89 1.01 0.26 -1.46 121.20 126.64 3kbp s ILE 247 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3kbp s ILE 247 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3kbp s ILE 247 CO -0.08 0.48 -0.06 -0.63 0.00 0.00 0.00 174.94 174.65 3kbp s ILE 248 N 0.70 3.68 -0.18 2.92 1.01 -0.65 -1.15 121.20 127.52 3kbp s ILE 248 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3kbp s ILE 248 Cb -0.15 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 3kbp s ILE 248 CO 0.02 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 3kbp s VAL 249 N -0.06 2.92 0.50 2.92 1.01 0.90 -0.78 120.40 127.82 3kbp s VAL 249 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3kbp s VAL 249 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3kbp s VAL 249 CO 0.03 0.48 0.35 -0.76 0.00 0.00 0.00 175.10 175.20 3kbp s LEU 250 N 1.10 2.87 -0.19 3.92 1.43 -0.67 -1.95 118.68 125.20 3kbp s LEU 250 Ca 0.00 -1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 51.95 3kbp s LEU 250 Cb -0.14 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.77 3kbp s LEU 250 CO -0.03 -0.94 -0.04 -0.55 0.23 0.00 0.00 176.35 175.02 3kbp s SER 251 N -4.18 3.17 0.49 2.29 0.15 -1.24 -4.65 113.70 109.72 3kbp s SER 251 Ca 0.36 -0.85 0.27 0.00 0.70 0.00 0.00 55.95 56.43 3kbp s SER 251 Cb -0.01 -0.95 1.20 0.00 -1.71 0.00 0.00 66.02 64.55 3kbp s SER 251 CO 0.22 -0.22 1.95 0.28 1.20 0.00 0.00 173.24 176.67 3kbp h SER 252 N 8.08 0.00 -0.50 5.45 0.02 -1.92 -2.51 113.55 122.17 3kbp h SER 252 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3kbp h SER 252 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3kbp h SER 252 CO 0.40 0.16 0.00 -1.22 -1.14 0.00 0.00 176.83 175.02 3kbp n TYR 253 N -3.43 0.69 -2.98 3.45 4.01 -1.26 -4.88 117.16 112.76 3kbp n TYR 253 Ca -0.01 -0.51 -0.02 0.00 -0.16 0.00 0.00 57.90 57.20 3kbp n TYR 253 Cb 0.34 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 3kbp n TYR 253 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kbp n SER 254 N 0.95 0.24 -4.83 7.72 7.64 -0.94 -5.11 113.62 119.29 3kbp n SER 254 Ca 0.17 -1.18 -0.32 0.00 1.01 0.00 0.00 58.87 58.55 3kbp n SER 254 Cb 0.52 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 3kbp n SER 254 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 255 N -2.11 3.72 -0.02 -0.43 0.00 -1.26 -4.99 121.76 116.67 3kbp s ALA 255 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3kbp s ALA 255 Cb -0.01 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.51 3kbp s ALA 255 CO 0.05 0.73 0.91 2.48 0.00 0.00 0.00 175.76 179.93 3kbp n TYR 256 N 0.88 0.00 -0.77 0.00 0.18 -1.26 -4.02 117.16 112.17 3kbp n TYR 256 Ca -0.11 -0.43 -0.33 0.00 1.88 0.00 0.00 57.90 58.91 3kbp n TYR 256 Cb 0.52 -0.06 0.13 0.00 -0.38 0.00 0.00 39.34 39.56 3kbp n TYR 256 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kbp n GLY 257 N -0.51 -2.53 3.68 -7.48 0.00 -1.26 -4.52 105.19 92.56 3kbp n GLY 257 Ca 0.03 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3kbp n GLY 257 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 258 N -3.28 4.31 0.00 1.61 3.52 -1.26 -2.14 118.95 121.71 3kbp s ARG 258 Ca 0.53 1.66 0.00 0.00 -0.13 0.00 0.00 55.73 57.80 3kbp s ARG 258 Cb -0.14 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 3kbp s ARG 258 CO 0.68 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 3kbp n GLY 259 N 3.45 3.37 3.75 8.12 0.00 -1.26 -5.06 105.19 117.56 3kbp n GLY 259 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kbp n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kbp s THR 260 N -2.91 3.11 0.20 2.61 -4.23 -0.91 -4.67 115.64 108.84 3kbp s THR 260 Ca 0.00 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 3kbp s THR 260 Cb 0.00 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 71.17 3kbp s THR 260 CO 0.00 -0.47 1.81 -0.65 -0.54 0.00 0.00 174.62 174.77 3kbp h PRO 261 N -1.27 0.66 -0.50 3.99 0.11 -1.88 0.29 132.00 133.40 3kbp h PRO 261 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3kbp h PRO 261 Cb 1.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3kbp h PRO 261 CO 0.51 0.44 0.14 0.37 -0.21 0.00 0.00 178.00 179.24 3kbp h GLN 262 N 0.68 0.80 0.49 1.05 4.15 -1.91 0.15 115.11 120.52 3kbp h GLN 262 Ca 0.28 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3kbp h GLN 262 Cb 0.13 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3kbp h GLN 262 CO -0.15 0.76 -0.37 -0.92 -1.93 0.00 0.00 178.83 176.22 3kbp h TYR 263 N 0.69 -0.99 -0.55 3.99 5.03 -1.42 -0.74 116.97 122.99 3kbp h TYR 263 Ca 0.16 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.58 3kbp h TYR 263 Cb 0.31 0.37 -0.11 0.00 1.55 0.00 0.00 36.73 38.85 3kbp h TYR 263 CO 0.02 -0.54 -0.17 1.15 -1.32 0.00 0.00 178.16 177.30 3kbp h THR 264 N -0.84 0.40 0.17 1.81 2.02 -0.18 -2.53 112.91 113.75 3kbp h THR 264 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3kbp h THR 264 Cb 0.71 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3kbp h THR 264 CO 0.01 0.00 -0.08 -0.25 0.37 0.00 0.00 175.52 175.57 3kbp h TRP 265 N -0.04 -0.21 -0.95 3.16 7.01 -0.20 -2.99 115.95 121.75 3kbp h TRP 265 Ca 0.26 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.40 3kbp h TRP 265 Cb 0.44 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 27.47 3kbp h TRP 265 CO -0.49 -0.08 0.56 1.25 -2.79 0.00 0.00 178.44 176.90 3kbp h LEU 266 N -0.29 0.75 0.26 0.65 5.85 -0.83 0.98 115.31 122.68 3kbp h LEU 266 Ca -0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3kbp h LEU 266 Cb 0.23 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3kbp h LEU 266 CO 0.04 0.34 -0.17 0.50 -0.34 0.00 0.00 178.44 178.81 3kbp h LYS 267 N 0.80 -0.39 -0.74 1.25 3.64 -1.37 -0.69 116.57 119.07 3kbp h LYS 267 Ca 0.51 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 60.07 3kbp h LYS 267 Cb 0.66 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.46 3kbp h LYS 267 CO -0.33 -0.26 0.22 -0.22 -2.27 0.00 0.00 179.45 176.60 3kbp h LYS 268 N -0.40 0.32 -0.81 1.90 1.63 -1.37 -0.99 116.57 116.84 3kbp h LYS 268 Ca -0.04 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3kbp h LYS 268 Cb 0.32 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 3kbp h LYS 268 CO 0.03 0.21 0.51 1.49 -3.45 0.00 0.00 179.45 178.25 3kbp h GLU 269 N 0.33 0.95 -0.94 1.90 4.57 -0.67 -0.87 114.58 119.85 3kbp h GLU 269 Ca 0.42 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.57 3kbp h GLU 269 Cb 0.69 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3kbp h GLU 269 CO -0.47 0.63 0.62 -0.07 -1.18 0.00 0.00 179.01 178.54 3kbp h LEU 270 N 0.98 1.04 -1.80 1.64 3.38 0.26 0.14 115.31 120.95 3kbp h LEU 270 Ca 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3kbp h LEU 270 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3kbp h LEU 270 CO -0.13 0.72 -0.11 0.03 0.09 0.00 0.00 178.44 179.04 3kbp h ARG 271 N 1.21 0.00 -0.01 1.13 3.08 -0.90 -2.87 114.38 116.03 3kbp h ARG 271 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3kbp h ARG 271 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3kbp h ARG 271 CO -0.10 0.11 -0.05 1.63 -1.07 0.00 0.00 179.97 180.49 3kbp n LYS 272 N -3.46 1.04 -2.39 0.04 5.02 0.50 -4.88 118.16 114.02 3kbp n LYS 272 Ca -0.01 -0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 3kbp n LYS 272 Cb 0.27 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3kbp n LYS 272 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kbp s VAL 273 N -2.20 3.81 -0.35 -0.18 1.01 -1.08 -5.00 120.40 116.40 3kbp s VAL 273 Ca 0.37 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.74 3kbp s VAL 273 Cb 0.21 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.80 3kbp s VAL 273 CO 0.41 0.15 0.08 -0.54 0.00 0.00 0.00 175.10 175.19 3kbp s LYS 274 N 0.55 1.83 0.60 2.72 1.02 -1.26 -4.96 119.74 120.24 3kbp s LYS 274 Ca 0.57 -1.74 0.37 0.00 0.02 0.00 0.00 55.97 55.19 3kbp s LYS 274 Cb -0.31 -3.29 1.84 0.00 -0.52 0.00 0.00 37.83 35.55 3kbp s LYS 274 CO 0.32 -0.91 2.17 0.00 -0.92 0.00 0.00 175.35 176.01 3kbp h ARG 275 N 7.81 0.00 0.00 1.68 2.47 -1.92 0.24 114.38 124.66 3kbp h ARG 275 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3kbp h ARG 275 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3kbp h ARG 275 CO 0.57 0.02 0.00 0.66 0.56 0.00 0.00 179.97 181.79 3kbp h SER 276 N 0.00 0.00 0.00 7.04 4.64 -1.95 -2.74 113.55 120.54 3kbp h SER 276 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3kbp h SER 276 Cb 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3kbp h SER 276 CO 0.00 0.00 -2.21 1.21 -0.87 0.00 0.00 176.83 174.96 3kbp n GLU 277 N -2.76 0.47 -3.88 4.77 2.13 -0.07 -4.57 120.64 116.72 3kbp n GLU 277 Ca 0.02 0.20 -0.30 0.00 0.66 0.00 0.00 57.16 57.74 3kbp n GLU 277 Cb 0.35 -1.29 -0.14 0.00 0.27 0.00 0.00 31.44 30.63 3kbp n GLU 277 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kbp s THR 278 N -2.40 2.07 0.23 6.31 -4.23 0.65 -3.22 115.64 115.04 3kbp s THR 278 Ca -0.30 -2.75 -0.07 0.00 -1.18 0.00 0.00 61.69 57.39 3kbp s THR 278 Cb 0.11 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.67 3kbp s THR 278 CO 0.39 -0.77 1.81 1.55 -0.54 0.00 0.00 174.62 177.06 3kbp h PRO 279 N 6.93 0.73 -5.89 3.99 0.13 -1.17 -3.36 132.00 133.36 3kbp h PRO 279 Ca -0.06 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.42 3kbp h PRO 279 Cb 0.94 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.80 3kbp h PRO 279 CO 0.58 0.48 0.45 -1.58 -0.23 0.00 0.00 178.00 177.70 3kbp s TRP 280 N -6.06 3.09 -0.37 1.56 0.52 -1.13 -4.85 118.94 111.70 3kbp s TRP 280 Ca -0.13 0.59 -0.10 0.00 0.02 0.00 0.00 56.10 56.48 3kbp s TRP 280 Cb 0.18 -3.52 0.03 0.00 -1.15 0.00 0.00 33.47 29.01 3kbp s TRP 280 CO 0.77 -0.79 0.19 -1.17 0.02 0.00 0.00 176.95 175.96 3kbp s LEU 281 N 3.25 4.64 -0.02 2.99 2.96 -1.26 0.04 118.68 131.28 3kbp s LEU 281 Ca 0.33 -1.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3kbp s LEU 281 Cb -0.13 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3kbp s LEU 281 CO 0.18 -0.37 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.09 3kbp s ILE 282 N 1.52 3.28 0.01 6.68 1.01 -0.54 -1.34 121.20 131.83 3kbp s ILE 282 Ca 0.01 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.96 3kbp s ILE 282 Cb -0.19 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3kbp s ILE 282 CO 0.06 0.49 -0.26 -0.69 0.00 0.00 0.00 174.94 174.54 3kbp s VAL 283 N -0.86 2.14 0.06 2.92 1.01 -0.99 -1.63 120.40 123.06 3kbp s VAL 283 Ca 0.14 -1.24 0.10 0.00 0.00 0.00 0.00 61.98 60.97 3kbp s VAL 283 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3kbp s VAL 283 CO 0.04 0.47 -0.26 -0.76 0.00 0.00 0.00 175.10 174.58 3kbp s LEU 284 N -0.95 2.20 0.08 3.92 1.43 0.04 -1.67 118.68 123.73 3kbp s LEU 284 Ca 0.11 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 3kbp s LEU 284 Cb -0.10 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 44.93 3kbp s LEU 284 CO 0.01 0.24 0.93 0.00 0.23 0.00 0.00 176.35 177.76 3kbp s MET 285 N -1.42 1.02 -0.12 1.70 0.23 -1.04 -1.66 119.30 118.01 3kbp s MET 285 Ca 0.12 -0.50 -0.08 0.00 -1.03 0.00 0.00 55.69 54.20 3kbp s MET 285 Cb -0.10 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 3kbp s MET 285 CO 0.03 -0.46 -0.16 1.58 -2.03 0.00 0.00 175.02 173.98 3kbp n HIS 286 N -0.38 0.75 -2.59 3.16 -0.00 -1.26 -3.72 115.22 111.18 3kbp n HIS 286 Ca -0.07 0.33 -0.42 0.00 0.46 0.00 0.00 57.72 58.01 3kbp n HIS 286 Cb 0.61 -0.68 -0.03 0.00 -0.12 0.00 0.00 29.99 29.78 3kbp n HIS 286 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3kbp s SER 287 N -5.42 7.17 0.18 0.26 0.15 -1.26 -0.19 113.70 114.58 3kbp s SER 287 Ca -0.13 1.66 -0.30 0.00 0.70 0.00 0.00 55.95 57.88 3kbp s SER 287 Cb 0.02 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.70 3kbp s SER 287 CO 0.20 -0.49 1.05 -2.16 1.20 0.00 0.00 173.24 173.03 3kbp s PRO 288 N 2.02 4.65 0.13 5.44 0.04 -1.26 -4.83 135.00 141.20 3kbp s PRO 288 Ca 0.52 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 3kbp s PRO 288 Cb -0.21 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 3kbp s PRO 288 CO 0.20 0.17 1.40 -0.07 0.04 0.00 0.00 177.00 178.74 3kbp h LEU 289 N 5.02 0.90 -8.15 -3.56 3.38 -1.95 -3.28 115.31 107.67 3kbp h LEU 289 Ca -0.44 -0.51 -0.68 0.00 0.09 0.00 0.00 57.88 56.34 3kbp h LEU 289 Cb 1.21 -0.26 -0.31 0.00 0.09 0.00 0.00 40.66 41.39 3kbp h LEU 289 CO 0.71 1.30 -0.71 -0.31 0.09 0.00 0.00 178.44 179.52 3kbp s TYR 290 N -4.00 3.14 -0.13 1.13 2.02 -1.26 -4.60 117.35 113.65 3kbp s TYR 290 Ca -0.10 -1.55 -0.06 0.00 -0.37 0.00 0.00 57.07 54.99 3kbp s TYR 290 Cb 0.10 -2.11 0.06 0.00 -0.40 0.00 0.00 41.96 39.61 3kbp s TYR 290 CO 0.89 -0.73 0.29 1.21 -1.57 0.00 0.00 175.55 175.64 3kbp s ASN 291 N 1.33 -0.09 -0.08 2.29 3.04 -1.26 -4.94 114.94 115.24 3kbp s ASN 291 Ca -0.01 0.64 0.17 0.00 0.04 0.00 0.00 52.86 53.69 3kbp s ASN 291 Cb -0.18 0.63 0.57 0.00 -1.54 0.00 0.00 41.25 40.73 3kbp s ASN 291 CO -0.02 -0.20 1.48 -1.54 -3.04 0.00 0.00 177.10 173.78 3kbp n SER 292 N 4.70 4.01 -4.95 -4.21 3.41 -1.26 -4.61 113.62 110.71 3kbp n SER 292 Ca -0.17 -2.35 -0.23 0.00 -0.26 0.00 0.00 58.87 55.86 3kbp n SER 292 Cb 0.52 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3kbp n SER 292 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kbp s TYR 293 N -1.64 3.21 0.07 7.33 1.51 -1.26 -1.38 117.35 125.18 3kbp s TYR 293 Ca 0.42 0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 56.63 3kbp s TYR 293 Cb 0.26 -2.41 -0.26 0.00 -0.11 0.00 0.00 41.96 39.45 3kbp s TYR 293 CO 0.21 -0.46 1.14 -0.91 -1.11 0.00 0.00 175.55 174.42 3kbp h ASN 294 N 0.29 0.86 -2.53 2.29 2.35 -1.39 -3.33 115.58 114.13 3kbp h ASN 294 Ca -0.46 -0.76 -0.54 0.00 -0.55 0.00 0.00 56.30 54.00 3kbp h ASN 294 Cb 1.26 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 39.37 3kbp h ASN 294 CO 0.58 1.56 1.13 -2.28 -1.65 0.00 0.00 177.43 176.77 3kbp s HIS 295 N -3.09 1.79 -1.25 1.19 2.46 -1.26 -1.70 115.29 113.43 3kbp s HIS 295 Ca -0.09 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.39 3kbp s HIS 295 Cb 0.06 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 3kbp s HIS 295 CO 0.93 -4.56 0.00 0.72 -2.47 0.00 0.00 174.74 169.35 3kbp n HIS 296 N 6.98 0.00 -1.69 3.88 8.25 -1.26 -4.90 115.22 126.48 3kbp n HIS 296 Ca 0.18 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 3kbp n HIS 296 Cb 0.42 -2.34 -0.04 0.00 1.12 0.00 0.00 29.99 29.15 3kbp n HIS 296 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kbp n PHE 297 N -2.53 2.51 -1.78 4.41 7.35 -0.69 -2.43 117.46 124.29 3kbp n PHE 297 Ca -0.12 0.10 -0.13 0.00 -0.76 0.00 0.00 57.45 56.55 3kbp n PHE 297 Cb 0.45 -2.63 -0.03 0.00 0.35 0.00 0.00 39.48 37.62 3kbp n PHE 297 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3kbp n MET 298 N 4.17 -0.93 0.07 -4.13 2.81 -1.26 -4.93 117.12 112.91 3kbp n MET 298 Ca 0.17 0.78 -0.21 0.00 -1.81 0.00 0.00 57.70 56.64 3kbp n MET 298 Cb 0.32 -4.89 -0.13 0.00 -0.71 0.00 0.00 33.22 27.81 3kbp n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kbp h GLU 299 N 0.00 0.51 0.00 0.03 5.08 -1.78 -3.19 114.58 115.23 3kbp h GLU 299 Ca -0.28 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.40 3kbp h GLU 299 Cb 1.01 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kbp h GLU 299 CO 0.36 1.30 0.01 0.41 -1.00 0.00 0.00 179.01 180.09 3kbp n GLY 300 N 1.39 -0.22 0.40 -3.84 0.00 -1.24 -3.29 105.19 98.40 3kbp n GLY 300 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3kbp n GLY 300 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbp h GLU 301 N 0.00 -0.58 0.12 1.61 4.39 -1.80 0.40 114.58 118.71 3kbp h GLU 301 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kbp h GLU 301 Cb 0.03 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3kbp h GLU 301 CO 0.00 -0.38 -0.30 0.00 -1.16 0.00 0.00 179.01 177.16 3kbp h ALA 302 N -0.07 -0.85 -0.17 3.43 0.00 -1.83 0.55 119.26 120.31 3kbp h ALA 302 Ca 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kbp h ALA 302 Cb 0.66 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3kbp h ALA 302 CO -0.29 -0.91 0.25 1.98 0.00 0.00 0.00 179.25 180.28 3kbp h MET 303 N -0.47 0.00 0.29 0.00 1.85 -1.79 -0.98 114.93 113.83 3kbp h MET 303 Ca -0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 3kbp h MET 303 Cb 0.45 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.48 3kbp h MET 303 CO -0.14 0.00 -0.14 -0.09 -0.40 0.00 0.00 176.91 176.14 3kbp h ARG 304 N 0.00 -0.37 0.00 0.39 2.43 0.25 -0.24 114.38 116.83 3kbp h ARG 304 Ca 0.08 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kbp h ARG 304 Cb 0.58 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3kbp h ARG 304 CO -0.00 -0.03 0.28 0.25 -1.51 0.00 0.00 179.97 178.95 3kbp n THR 305 N -5.09 0.71 -0.09 0.20 -2.24 0.07 -1.64 114.28 106.20 3kbp n THR 305 Ca -0.09 0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 62.27 3kbp n THR 305 Cb 0.27 -1.71 -0.10 0.00 -2.10 0.00 0.00 70.33 66.69 3kbp n THR 305 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kbp n LYS 306 N -1.95 0.72 -0.00 -0.78 4.01 -1.02 -4.83 118.16 114.31 3kbp n LYS 306 Ca -0.01 0.09 0.04 0.00 -0.51 0.00 0.00 58.31 57.92 3kbp n LYS 306 Cb 0.29 -1.40 -0.05 0.00 -0.51 0.00 0.00 35.03 33.37 3kbp n LYS 306 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3kbp n PHE 307 N -2.97 0.00 0.10 2.13 3.72 -0.13 -4.74 117.46 115.57 3kbp n PHE 307 Ca -0.33 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.94 3kbp n PHE 307 Cb 0.91 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.39 3kbp n PHE 307 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kbp h GLU 308 N 0.00 -0.47 -0.73 -1.08 4.81 -1.53 -1.93 114.58 113.65 3kbp h GLU 308 Ca 0.00 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 3kbp h GLU 308 Cb 0.20 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 29.56 3kbp h GLU 308 CO 0.00 -0.31 -0.06 0.00 -0.73 0.00 0.00 179.01 177.91 3kbp h ALA 309 N 0.24 0.66 -0.83 2.92 0.00 -1.85 0.14 119.26 120.54 3kbp h ALA 309 Ca 0.04 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3kbp h ALA 309 Cb 0.53 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3kbp h ALA 309 CO -0.18 -0.42 0.51 -1.49 0.00 0.00 0.00 179.25 177.66 3kbp h TRP 310 N 0.06 0.94 -0.61 0.00 4.06 -1.68 1.02 115.95 119.75 3kbp h TRP 310 Ca 0.38 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.29 3kbp h TRP 310 Cb 0.64 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 3kbp h TRP 310 CO -0.47 0.49 0.11 0.74 -3.56 0.00 0.00 178.44 175.74 3kbp h PHE 311 N 0.94 1.07 0.44 0.49 0.04 -0.20 0.36 116.94 120.07 3kbp h PHE 311 Ca 0.36 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 3kbp h PHE 311 Cb 0.15 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3kbp h PHE 311 CO -0.04 0.91 -0.21 0.28 -0.60 0.00 0.00 178.31 178.65 3kbp h VAL 312 N 0.91 0.41 -0.99 -0.55 2.07 0.20 -0.70 116.25 117.60 3kbp h VAL 312 Ca 0.19 -0.52 0.29 0.00 0.82 0.00 0.00 66.70 67.48 3kbp h VAL 312 Cb 0.42 0.60 -0.14 0.00 -1.52 0.00 0.00 31.29 30.64 3kbp h VAL 312 CO 0.01 0.07 0.56 0.50 0.02 0.00 0.00 177.57 178.73 3kbp h LYS 313 N -0.96 0.39 -0.26 1.57 3.64 0.13 0.15 116.57 121.23 3kbp h LYS 313 Ca -0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kbp h LYS 313 Cb 0.57 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3kbp h LYS 313 CO 0.10 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 3kbp n TYR 314 N -5.01 0.32 -3.49 1.91 4.02 0.09 -4.96 117.16 110.05 3kbp n TYR 314 Ca 0.30 -0.16 -0.18 0.00 -0.01 0.00 0.00 57.90 57.84 3kbp n TYR 314 Cb 0.89 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.28 3kbp n TYR 314 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3kbp n LYS 315 N 1.10 -5.45 -2.08 -0.72 5.02 0.52 -4.91 118.16 111.64 3kbp n LYS 315 Ca 0.18 0.78 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 3kbp n LYS 315 Cb 0.52 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.89 3kbp n LYS 315 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kbp s VAL 316 N -3.45 2.67 -0.00 -0.18 -7.23 -0.60 -4.74 120.40 106.87 3kbp s VAL 316 Ca 0.07 0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 60.78 3kbp s VAL 316 Cb -0.01 -3.42 -0.07 0.00 0.56 0.00 0.00 36.38 33.44 3kbp s VAL 316 CO 0.76 0.15 0.78 0.44 -0.31 0.00 0.00 175.10 176.92 3kbp h ASP 317 N 3.57 -0.37 -2.51 4.85 3.32 -1.56 -3.22 116.42 120.50 3kbp h ASP 317 Ca -0.49 0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.03 3kbp h ASP 317 Cb 1.23 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.73 3kbp h ASP 317 CO 0.67 -0.16 -0.66 -0.69 -1.72 0.00 0.00 179.24 176.68 3kbp s VAL 318 N -3.26 1.81 -0.16 -1.35 1.01 -1.23 -1.58 120.40 115.63 3kbp s VAL 318 Ca -0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 61.98 59.76 3kbp s VAL 318 Cb 0.01 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3kbp s VAL 318 CO 0.19 -0.20 0.17 -0.69 0.00 0.00 0.00 175.10 174.58 3kbp s VAL 319 N -2.89 -0.25 -0.12 2.92 1.01 -0.94 -2.35 120.40 117.78 3kbp s VAL 319 Ca 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 3kbp s VAL 319 Cb 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3kbp s VAL 319 CO 0.14 -0.11 0.13 -0.36 0.00 0.00 0.00 175.10 174.90 3kbp s PHE 320 N 2.27 3.58 0.32 5.22 0.08 -0.67 -1.04 117.98 127.74 3kbp s PHE 320 Ca 0.05 0.51 0.06 0.00 0.12 0.00 0.00 56.93 57.67 3kbp s PHE 320 Cb -0.15 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 3kbp s PHE 320 CO -0.09 0.73 0.24 0.00 -0.10 0.00 0.00 175.22 175.99 3kbp s ALA 321 N -1.02 1.89 0.00 5.36 0.00 -0.79 -2.48 121.76 124.72 3kbp s ALA 321 Ca 0.15 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3kbp s ALA 321 Cb -0.12 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.39 3kbp s ALA 321 CO 0.04 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3kbp n GLY 322 N -0.61 4.65 4.22 0.00 0.00 0.73 -0.13 105.19 114.05 3kbp n GLY 322 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3kbp n GLY 322 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kbp n HIS 323 N 0.00 0.00 -3.85 1.61 -0.00 -1.24 -4.28 115.22 107.47 3kbp n HIS 323 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 3kbp n HIS 323 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 29.99 29.85 3kbp n HIS 323 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kbp s VAL 324 N -0.05 3.44 -1.20 3.57 1.01 -1.26 -4.95 120.40 120.96 3kbp s VAL 324 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 3kbp s VAL 324 Cb 0.00 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 3kbp s VAL 324 CO 0.00 0.06 1.92 -1.00 0.00 0.00 0.00 175.10 176.08 3kbp s HIS 325 N 1.39 2.02 -0.53 5.22 0.09 -1.22 -3.09 115.29 119.17 3kbp s HIS 325 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 55.06 55.37 3kbp s HIS 325 Cb -0.18 -4.06 0.00 0.00 -0.00 0.00 0.00 32.58 28.35 3kbp s HIS 325 CO -0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 174.74 173.50 3kbp n ALA 326 N 13.95 0.00 -2.54 -1.40 0.00 -1.25 0.36 120.51 129.63 3kbp n ALA 326 Ca 0.45 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 3kbp n ALA 326 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 3kbp n ALA 326 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3kbp s TYR 327 N -2.80 1.55 -0.18 0.00 5.04 0.39 -3.50 117.35 117.85 3kbp s TYR 327 Ca 0.00 -0.48 -0.29 0.00 -2.44 0.00 0.00 57.07 53.86 3kbp s TYR 327 Cb 0.00 -0.82 0.11 0.00 0.35 0.00 0.00 41.96 41.60 3kbp s TYR 327 CO 0.00 0.18 0.93 -2.00 -1.34 0.00 0.00 175.55 173.32 3kbp s GLU 328 N -2.30 0.67 0.07 4.97 2.12 -1.11 -1.18 118.70 121.93 3kbp s GLU 328 Ca 0.07 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.78 3kbp s GLU 328 Cb -0.07 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 3kbp s GLU 328 CO 0.04 -0.17 -0.11 0.50 -0.54 0.00 0.00 175.26 174.98 3kbp s ARG 329 N -0.68 0.73 0.36 4.30 3.52 0.80 -1.96 118.95 126.02 3kbp s ARG 329 Ca -0.02 -0.94 0.04 0.00 -0.13 0.00 0.00 55.73 54.68 3kbp s ARG 329 Cb -0.02 -0.56 -0.06 0.00 -1.56 0.00 0.00 34.95 32.75 3kbp s ARG 329 CO 0.01 0.11 0.06 -1.12 -0.81 0.00 0.00 175.30 173.55 3kbp s SER 330 N -1.88 2.75 0.35 -2.12 0.01 -1.06 -0.42 113.70 111.34 3kbp s SER 330 Ca -0.03 -1.45 -0.11 0.00 1.31 0.00 0.00 55.95 55.67 3kbp s SER 330 Cb -0.08 0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 3kbp s SER 330 CO 0.01 -0.66 0.72 -1.61 0.41 0.00 0.00 173.24 172.11 3kbp s GLU 331 N -3.84 3.84 -0.23 12.44 0.41 0.16 -4.57 118.70 126.92 3kbp s GLU 331 Ca 0.32 0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 55.07 3kbp s GLU 331 Cb 0.07 -2.45 -0.03 0.00 -1.78 0.00 0.00 34.13 29.94 3kbp s GLU 331 CO 0.15 0.09 1.80 1.03 -0.49 0.00 0.00 175.26 177.83 3kbp s ARG 332 N -3.43 3.59 -0.00 1.61 0.52 -1.26 -4.63 118.95 115.34 3kbp s ARG 332 Ca 0.51 1.74 -0.02 0.00 -0.52 0.00 0.00 55.73 57.44 3kbp s ARG 332 Cb -0.10 -4.15 -0.00 0.00 0.52 0.00 0.00 34.95 31.21 3kbp s ARG 332 CO 0.25 -1.56 0.04 0.08 0.02 0.00 0.00 175.30 174.14 3kbp s VAL 333 N 6.12 0.06 0.47 3.52 1.01 -1.25 -2.02 120.40 128.32 3kbp s VAL 333 Ca 0.80 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3kbp s VAL 333 Cb -0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 3kbp s VAL 333 CO 0.33 -0.27 0.06 -0.94 0.00 0.00 0.00 175.10 174.28 3kbp s SER 334 N -0.82 3.58 -0.37 3.32 1.04 -0.84 -4.71 113.70 114.89 3kbp s SER 334 Ca -0.09 -1.66 0.05 0.00 0.48 0.00 0.00 55.95 54.73 3kbp s SER 334 Cb -0.05 0.50 0.27 0.00 0.10 0.00 0.00 66.02 66.84 3kbp s SER 334 CO -0.00 -0.88 1.24 -3.20 0.98 0.00 0.00 173.24 171.38 3kbp n ASN 335 N -1.28 -1.61 -1.43 7.02 2.85 -1.26 -2.09 115.26 117.46 3kbp n ASN 335 Ca -0.13 -2.38 -0.09 0.00 -0.11 0.00 0.00 54.58 51.86 3kbp n ASN 335 Cb 0.66 1.29 0.19 0.00 1.24 0.00 0.00 39.78 43.16 3kbp n ASN 335 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3kbp n ILE 336 N 0.02 2.72 -0.01 -1.44 -5.35 -1.26 -4.58 119.36 109.45 3kbp n ILE 336 Ca -0.07 -2.60 0.06 0.00 -0.27 0.00 0.00 62.75 59.87 3kbp n ILE 336 Cb 0.73 -0.37 -0.10 0.00 -1.74 0.00 0.00 39.64 38.16 3kbp n ILE 336 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kbp n ALA 337 N -1.13 2.45 -1.69 -1.28 0.00 -1.26 -5.00 120.51 112.59 3kbp n ALA 337 Ca 0.40 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 3kbp n ALA 337 Cb 1.18 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 20.19 3kbp n ALA 337 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kbp n TYR 338 N -1.99 2.29 -2.77 0.00 9.36 -0.94 -4.78 117.16 118.34 3kbp n TYR 338 Ca -0.04 0.49 -0.03 0.00 3.32 0.00 0.00 57.90 61.65 3kbp n TYR 338 Cb 0.38 -2.44 0.05 0.00 -0.63 0.00 0.00 39.34 36.69 3kbp n TYR 338 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kbp n LYS 339 N 1.12 1.50 0.00 2.98 4.76 -1.26 -5.04 118.16 122.23 3kbp n LYS 339 Ca 0.07 -3.34 0.00 0.00 -2.87 0.00 0.00 58.31 52.17 3kbp n LYS 339 Cb 0.35 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3kbp n LYS 339 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kbp n ILE 340 N -0.43 0.00 0.99 -0.18 2.08 -1.26 -3.72 119.36 116.83 3kbp n ILE 340 Ca 0.07 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.52 3kbp n ILE 340 Cb 0.81 0.00 0.56 0.00 -0.75 0.00 0.00 39.64 40.26 3kbp n ILE 340 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3kbp n THR 341 N 0.00 0.02 1.83 1.39 -2.24 -1.26 -3.98 114.28 110.04 3kbp n THR 341 Ca 0.00 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3kbp n THR 341 Cb 0.00 -0.39 0.25 0.00 -2.10 0.00 0.00 70.33 68.09 3kbp n THR 341 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kbp n ASP 342 N -1.52 0.32 0.00 3.42 5.75 -1.24 -4.90 116.55 118.37 3kbp n ASP 342 Ca 0.07 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3kbp n ASP 342 Cb 0.34 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3kbp n ASP 342 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kbp n GLY 343 N 0.71 0.00 2.24 6.12 0.00 -1.26 -4.80 105.19 108.21 3kbp n GLY 343 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3kbp n GLY 343 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbp n LEU 344 N 0.00 7.69 -2.65 0.99 4.77 -1.26 -4.58 117.00 121.96 3kbp n LEU 344 Ca 0.00 -4.06 -0.34 0.00 -0.03 0.00 0.00 56.01 51.58 3kbp n LEU 344 Cb 0.00 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 39.62 3kbp n LEU 344 CO 0.00 1.96 0.95 0.00 -1.33 0.00 0.00 177.39 178.97 3kbp s THR 346 N -5.20 0.14 0.18 0.00 2.01 -1.26 -5.07 115.64 106.44 3kbp s THR 346 Ca 0.52 0.11 -0.33 0.00 0.31 0.00 0.00 61.69 62.29 3kbp s THR 346 Cb 0.43 -0.25 -0.15 0.00 0.01 0.00 0.00 72.50 72.55 3kbp s THR 346 CO -0.27 0.14 1.37 -2.65 -0.69 0.00 0.00 174.62 172.52 3kbp n PRO 347 N 4.16 1.68 -4.30 4.92 -0.02 -1.26 -4.84 135.00 135.33 3kbp n PRO 347 Ca -0.26 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 3kbp n PRO 347 Cb 0.50 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 3kbp n PRO 347 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kbp s VAL 348 N 0.23 1.68 0.27 -1.45 -7.23 -0.89 -4.90 120.40 108.12 3kbp s VAL 348 Ca 0.75 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 3kbp s VAL 348 Cb -0.76 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 3kbp s VAL 348 CO 0.47 -0.32 1.25 -0.75 -0.31 0.00 0.00 175.10 175.45 3kbp s LYS 349 N -2.68 4.44 -0.05 4.82 2.20 -1.26 -1.99 119.74 125.23 3kbp s LYS 349 Ca 0.13 2.05 -0.02 0.00 -0.36 0.00 0.00 55.97 57.77 3kbp s LYS 349 Cb -0.06 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 3kbp s LYS 349 CO 0.05 -0.11 0.08 0.34 -0.36 0.00 0.00 175.35 175.36 3kbp s ASP 350 N -0.29 0.43 0.00 1.43 -1.08 -0.85 -4.79 116.67 111.51 3kbp s ASP 350 Ca 0.50 0.16 0.30 0.00 -0.52 0.00 0.00 52.55 52.99 3kbp s ASP 350 Cb -0.37 0.02 1.41 0.00 -1.46 0.00 0.00 42.92 42.53 3kbp s ASP 350 CO 0.45 -0.18 1.95 0.00 0.52 0.00 0.00 175.17 177.90 3kbp n GLN 351 N 4.68 1.13 0.01 4.34 1.13 -1.26 -2.93 117.38 124.48 3kbp n GLN 351 Ca -0.17 -0.40 0.11 0.00 -1.94 0.00 0.00 57.00 54.60 3kbp n GLN 351 Cb 0.50 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.35 3kbp n GLN 351 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kbp n SER 352 N -0.58 0.63 -4.81 1.08 7.64 -1.26 -4.91 113.62 111.40 3kbp n SER 352 Ca 0.19 -0.37 -0.34 0.00 1.01 0.00 0.00 58.87 59.37 3kbp n SER 352 Cb 0.24 0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 64.30 3kbp n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 353 N -3.17 3.11 0.79 -0.43 0.00 -1.15 -4.29 121.76 116.62 3kbp s ALA 353 Ca 0.04 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 3kbp s ALA 353 Cb 0.15 -3.11 0.07 0.00 0.00 0.00 0.00 23.12 20.23 3kbp s ALA 353 CO 0.82 0.16 1.10 -1.25 0.00 0.00 0.00 175.76 176.59 3kbp s PRO 354 N -2.90 2.12 -0.27 0.00 0.04 -1.22 -4.54 135.00 128.24 3kbp s PRO 354 Ca 0.58 0.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 3kbp s PRO 354 Cb -0.11 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3kbp s PRO 354 CO 0.16 -1.59 0.54 0.08 0.04 0.00 0.00 177.00 176.22 3kbp s VAL 355 N -3.17 5.05 -0.31 -0.36 1.01 -0.62 -3.99 120.40 118.01 3kbp s VAL 355 Ca 0.61 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.26 3kbp s VAL 355 Cb -0.14 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 3kbp s VAL 355 CO 0.54 0.05 0.70 -0.31 0.00 0.00 0.00 175.10 176.08 3kbp s TYR 356 N 2.36 3.20 0.01 5.22 1.51 -1.26 -2.22 117.35 126.17 3kbp s TYR 356 Ca 0.22 0.67 0.05 0.00 -1.01 0.00 0.00 57.07 57.00 3kbp s TYR 356 Cb -0.16 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.55 3kbp s TYR 356 CO 0.09 -0.53 -0.14 0.42 -1.11 0.00 0.00 175.55 174.28 3kbp s ILE 357 N 2.78 3.09 -0.11 2.71 1.01 -0.21 -2.55 121.20 127.93 3kbp s ILE 357 Ca 0.28 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3kbp s ILE 357 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3kbp s ILE 357 CO 0.12 0.42 -0.14 0.42 0.00 0.00 0.00 174.94 175.76 3kbp s THR 358 N -0.89 1.45 -0.33 2.92 -4.23 -0.83 -1.88 115.64 111.85 3kbp s THR 358 Ca 0.14 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.16 3kbp s THR 358 Cb -0.11 -1.33 0.46 0.00 1.34 0.00 0.00 72.50 72.86 3kbp s THR 358 CO 0.05 0.43 1.12 2.30 -0.54 0.00 0.00 174.62 177.98 3kbp n ILE 359 N 4.26 2.03 0.71 2.99 -0.00 0.81 -2.75 119.36 127.42 3kbp n ILE 359 Ca -0.19 -4.03 -0.00 0.00 -0.00 0.00 0.00 62.75 58.53 3kbp n ILE 359 Cb 0.51 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 3kbp n ILE 359 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kbp n GLY 360 N -0.53 2.13 1.64 3.28 0.00 -1.18 -3.34 105.19 107.19 3kbp n GLY 360 Ca 0.31 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3kbp n GLY 360 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 361 N 0.64 4.08 0.07 1.61 5.75 -1.23 -3.39 116.55 124.07 3kbp n ASP 361 Ca 0.01 -3.78 0.13 0.00 -0.01 0.00 0.00 54.79 51.14 3kbp n ASP 361 Cb 0.52 -0.63 0.41 0.00 -1.03 0.00 0.00 41.12 40.39 3kbp n ASP 361 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kbp n ALA 362 N -0.98 2.43 0.00 2.12 0.00 -1.05 -0.25 120.51 122.79 3kbp n ALA 362 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kbp n ALA 362 Cb 0.98 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3kbp n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbp n GLY 363 N 1.36 2.74 6.98 0.00 0.00 -1.22 -3.97 105.19 111.08 3kbp n GLY 363 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3kbp n GLY 363 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kbp n ASN 364 N 0.00 0.00 -1.80 1.61 6.94 -0.23 0.64 115.26 122.42 3kbp n ASN 364 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 3kbp n ASN 364 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 3kbp n ASN 364 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kbp n TYR 365 N 13.35 1.62 -2.18 -2.53 4.11 -1.26 -2.97 117.16 127.30 3kbp n TYR 365 Ca 0.00 -1.69 -0.07 0.00 -0.00 0.00 0.00 57.90 56.14 3kbp n TYR 365 Cb 0.00 -0.83 -0.00 0.00 -0.00 0.00 0.00 39.34 38.51 3kbp n TYR 365 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3kbp n GLY 366 N 0.01 0.12 3.00 -7.48 0.00 0.21 -4.47 105.19 96.58 3kbp n GLY 366 Ca 0.32 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3kbp n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbp s VAL 367 N -2.39 1.17 -0.05 1.61 1.01 -1.25 -5.06 120.40 115.44 3kbp s VAL 367 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3kbp s VAL 367 Cb -0.01 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3kbp s VAL 367 CO 0.02 0.37 0.18 -0.63 0.00 0.00 0.00 175.10 175.04 3kbp s ILE 368 N 0.92 5.44 -0.32 2.22 -1.09 -1.26 -4.86 121.20 122.25 3kbp s ILE 368 Ca -0.09 0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.18 3kbp s ILE 368 Cb -0.15 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3kbp s ILE 368 CO 0.01 0.45 0.60 -1.81 -1.23 0.00 0.00 174.94 172.96 3kbp s ASP 369 N -1.53 6.44 -0.01 3.58 1.01 0.16 -4.89 116.67 121.42 3kbp s ASP 369 Ca 0.22 0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.84 3kbp s ASP 369 Cb -0.13 -2.31 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 3kbp s ASP 369 CO 0.12 -0.49 0.14 -1.54 0.21 0.00 0.00 175.17 173.62 3kbp n SER 370 N 5.87 3.45 -4.56 0.27 3.41 -1.26 -4.58 113.62 116.23 3kbp n SER 370 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.24 3kbp n SER 370 Cb 0.49 1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 65.68 3kbp n SER 370 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kbp s ASN 371 N -2.83 5.55 -0.04 4.04 2.47 -1.26 -4.94 114.94 117.94 3kbp s ASN 371 Ca -0.03 -0.41 0.00 0.00 0.42 0.00 0.00 52.86 52.85 3kbp s ASN 371 Cb 0.04 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 3kbp s ASN 371 CO 0.28 -2.29 -0.02 0.00 -3.72 0.00 0.00 177.10 171.35 3kbp s MET 372 N 6.52 2.82 0.60 0.43 0.23 -1.26 -1.01 119.30 127.63 3kbp s MET 372 Ca 0.60 -0.55 -0.19 0.00 -1.03 0.00 0.00 55.69 54.52 3kbp s MET 372 Cb -0.08 -2.68 -0.04 0.00 -1.53 0.00 0.00 34.83 30.50 3kbp s MET 372 CO 0.08 0.65 1.13 -0.89 -2.03 0.00 0.00 175.02 173.96 3kbp n ILE 373 N 1.78 4.11 -4.01 3.16 5.41 -0.48 -4.81 119.36 124.52 3kbp n ILE 373 Ca -0.16 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 62.96 3kbp n ILE 373 Cb 0.53 -1.34 -0.13 0.00 -0.71 0.00 0.00 39.64 37.99 3kbp n ILE 373 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3kbp s GLN 374 N -2.96 0.28 0.49 0.38 -1.52 -1.26 -4.05 119.66 111.02 3kbp s GLN 374 Ca 0.77 -0.30 -0.06 0.00 -1.95 0.00 0.00 55.36 53.82 3kbp s GLN 374 Cb -0.41 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.19 3kbp s GLN 374 CO 0.45 0.03 0.81 -1.25 -0.25 0.00 0.00 175.29 175.09 3kbp s PRO 375 N -0.58 3.56 -0.33 2.91 0.04 -1.26 -5.05 135.00 134.29 3kbp s PRO 375 Ca -0.04 0.28 -0.38 0.00 0.04 0.00 0.00 61.00 60.91 3kbp s PRO 375 Cb -0.04 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 32.02 3kbp s PRO 375 CO -0.00 -0.24 2.04 0.94 0.04 0.00 0.00 177.00 179.78 3kbp n GLN 376 N -2.26 1.04 -1.16 4.56 7.27 -1.26 -4.90 117.38 120.67 3kbp n GLN 376 Ca 0.01 0.32 -0.31 0.00 0.07 0.00 0.00 57.00 57.10 3kbp n GLN 376 Cb 0.55 -2.26 0.11 0.00 2.41 0.00 0.00 30.24 31.05 3kbp n GLN 376 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3kbp s PRO 377 N 5.32 1.90 0.17 3.69 0.04 -1.26 -4.92 135.00 139.94 3kbp s PRO 377 Ca 1.07 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 3kbp s PRO 377 Cb -0.98 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 31.78 3kbp s PRO 377 CO 0.56 -1.90 1.59 0.93 0.04 0.00 0.00 177.00 178.22 3kbp h GLU 378 N -1.32 -0.21 -0.93 4.56 3.07 -1.98 -0.84 114.58 116.92 3kbp h GLU 378 Ca -0.44 0.01 0.24 0.00 -0.50 0.00 0.00 59.36 58.67 3kbp h GLU 378 Cb 1.24 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 29.14 3kbp h GLU 378 CO 0.50 -0.14 0.63 0.10 -1.40 0.00 0.00 179.01 178.70 3kbp h TYR 379 N -0.22 0.36 -3.00 4.33 -0.00 -1.92 -3.40 116.97 113.11 3kbp h TYR 379 Ca 0.19 0.01 -0.57 0.00 0.00 0.00 0.00 58.73 58.36 3kbp h TYR 379 Cb 0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 36.73 37.12 3kbp h TYR 379 CO -0.58 0.08 0.93 0.45 -0.00 0.00 0.00 178.16 179.04 3kbp s SER 380 N -5.55 6.84 -0.00 0.10 0.15 -0.32 -0.66 113.70 114.25 3kbp s SER 380 Ca -0.07 1.49 0.11 0.00 0.70 0.00 0.00 55.95 58.18 3kbp s SER 380 Cb 0.23 -2.54 -0.23 0.00 -1.71 0.00 0.00 66.02 61.77 3kbp s SER 380 CO 0.78 -0.88 0.81 0.00 1.20 0.00 0.00 173.24 175.15 3kbp h ALA 381 N 8.61 0.67 -1.50 5.45 0.00 -0.95 -3.46 119.26 128.08 3kbp h ALA 381 Ca -0.26 -1.33 0.12 0.00 0.00 0.00 0.00 54.91 53.44 3kbp h ALA 381 Cb 1.10 0.34 -0.27 0.00 0.00 0.00 0.00 17.79 18.95 3kbp h ALA 381 CO 0.99 1.50 0.41 0.12 0.00 0.00 0.00 179.25 182.28 3kbp s PHE 382 N -2.62 -0.53 -0.02 0.00 5.36 -1.02 -4.96 117.98 114.18 3kbp s PHE 382 Ca -0.03 1.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.95 3kbp s PHE 382 Cb 0.08 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.09 3kbp s PHE 382 CO 0.82 -0.26 0.12 -0.98 -1.46 0.00 0.00 175.22 173.46 3kbp s ARG 383 N 1.27 0.29 -0.18 10.12 1.70 -1.26 -0.14 118.95 130.75 3kbp s ARG 383 Ca -0.08 -0.10 -0.21 0.00 -0.47 0.00 0.00 55.73 54.87 3kbp s ARG 383 Cb -0.04 0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.52 3kbp s ARG 383 CO -0.14 -0.06 0.56 -2.00 -1.08 0.00 0.00 175.30 172.58 3kbp s GLU 384 N -0.60 0.72 -1.20 3.89 2.12 -0.33 -4.97 118.70 118.33 3kbp s GLU 384 Ca -0.07 0.64 -0.09 0.00 0.36 0.00 0.00 54.97 55.81 3kbp s GLU 384 Cb -0.04 0.34 0.21 0.00 0.26 0.00 0.00 34.13 34.90 3kbp s GLU 384 CO 0.01 -0.12 1.60 0.00 -0.54 0.00 0.00 175.26 176.20 3kbp n ALA 385 N 2.41 4.83 -2.31 6.30 0.00 -1.26 -0.46 120.51 130.02 3kbp n ALA 385 Ca -0.15 -4.44 -0.16 0.00 0.00 0.00 0.00 53.44 48.69 3kbp n ALA 385 Cb 0.56 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 3kbp n ALA 385 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kbp s SER 386 N 0.85 1.67 0.11 0.00 0.01 -1.26 -4.96 113.70 110.12 3kbp s SER 386 Ca 0.38 -1.20 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 3kbp s SER 386 Cb 0.03 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 3kbp s SER 386 CO 0.02 -0.52 0.55 -0.36 0.41 0.00 0.00 173.24 173.33 3kbp s PHE 387 N -3.48 3.69 -0.44 2.43 0.08 -1.26 -4.53 117.98 114.47 3kbp s PHE 387 Ca 0.27 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.46 3kbp s PHE 387 Cb 0.06 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 3kbp s PHE 387 CO 0.07 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 3kbp n GLY 388 N 1.22 -1.25 2.43 4.36 0.00 0.66 -0.30 105.19 112.31 3kbp n GLY 388 Ca -0.08 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 3kbp n GLY 388 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kbp n HIS 389 N 0.28 0.02 -4.24 1.61 1.44 -1.20 -3.46 115.22 109.66 3kbp n HIS 389 Ca 0.00 -1.92 -0.14 0.00 -2.01 0.00 0.00 57.72 53.65 3kbp n HIS 389 Cb 0.00 0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.03 3kbp n HIS 389 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3kbp s GLY 390 N -2.81 1.51 -0.01 -1.39 0.00 0.02 -2.82 107.32 101.82 3kbp s GLY 390 Ca 0.17 -1.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 3kbp s GLY 390 CO 0.12 -1.47 0.01 1.06 0.00 0.00 0.00 173.10 172.82 3kbp s MET 391 N -4.10 0.00 -0.43 2.90 -1.94 -0.96 -0.92 119.30 113.86 3kbp s MET 391 Ca 0.37 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.41 3kbp s MET 391 Cb 0.07 -0.03 0.12 0.00 2.01 0.00 0.00 34.83 37.00 3kbp s MET 391 CO 0.12 -0.03 0.20 0.12 -0.01 0.00 0.00 175.02 175.42 3kbp s PHE 392 N 0.16 2.45 -0.61 -0.03 5.36 -0.02 -0.90 117.98 124.38 3kbp s PHE 392 Ca -0.01 -2.57 -0.23 0.00 -0.96 0.00 0.00 56.93 53.16 3kbp s PHE 392 Cb -0.02 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.50 3kbp s PHE 392 CO -0.00 -0.81 0.92 0.34 -1.46 0.00 0.00 175.22 174.21 3kbp s ASP 393 N 0.46 6.23 -0.08 6.13 -1.08 -0.71 -2.00 116.67 125.63 3kbp s ASP 393 Ca 0.15 -0.81 -0.30 0.00 -0.52 0.00 0.00 52.55 51.08 3kbp s ASP 393 Cb -0.23 -2.41 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 3kbp s ASP 393 CO -0.05 -1.32 1.16 -0.63 0.52 0.00 0.00 175.17 174.85 3kbp s ILE 394 N 3.86 4.39 0.00 4.11 1.01 0.43 -0.54 121.20 134.45 3kbp s ILE 394 Ca 0.24 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.58 3kbp s ILE 394 Cb -0.16 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3kbp s ILE 394 CO 0.13 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.35 3kbp n LYS 395 N 5.26 0.00 -0.80 2.79 4.76 0.43 -2.48 118.16 128.11 3kbp n LYS 395 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3kbp n LYS 395 Cb 0.47 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 3kbp n LYS 395 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kbp n ASN 396 N -2.46 1.95 -0.21 4.39 3.02 -0.64 -4.23 115.26 117.07 3kbp n ASN 396 Ca 0.00 -0.41 0.15 0.00 -0.03 0.00 0.00 54.58 54.29 3kbp n ASN 396 Cb 0.00 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 39.85 3kbp n ASN 396 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3kbp n ARG 397 N -0.01 1.14 -0.02 3.52 1.85 -1.25 -3.65 116.66 118.23 3kbp n ARG 397 Ca 0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 57.85 56.40 3kbp n ARG 397 Cb 0.00 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 29.88 3kbp n ARG 397 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kbp n THR 398 N -0.56 0.30 -5.22 8.89 -2.24 -1.26 -4.61 114.28 109.58 3kbp n THR 398 Ca 0.19 -0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3kbp n THR 398 Cb 0.25 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.52 3kbp n THR 398 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kbp s HIS 399 N -2.12 2.37 -0.19 4.78 3.76 -1.24 -1.45 115.29 121.20 3kbp s HIS 399 Ca -0.02 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 3kbp s HIS 399 Cb 0.01 -1.50 0.06 0.00 1.11 0.00 0.00 32.58 32.26 3kbp s HIS 399 CO 0.19 0.00 0.46 0.00 -0.85 0.00 0.00 174.74 174.55 3kbp s ALA 400 N -0.65 -1.20 -0.31 -1.40 0.00 -1.06 -0.43 121.76 116.72 3kbp s ALA 400 Ca 0.10 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 3kbp s ALA 400 Cb -0.10 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kbp s ALA 400 CO -0.00 -0.28 0.03 -1.58 0.00 0.00 0.00 175.76 173.93 3kbp s HIS 401 N 1.26 3.24 0.43 0.00 2.46 0.30 0.91 115.29 123.89 3kbp s HIS 401 Ca -0.08 -1.67 -0.17 0.00 0.47 0.00 0.00 55.06 53.61 3kbp s HIS 401 Cb -0.07 -2.16 -0.09 0.00 -0.13 0.00 0.00 32.58 30.13 3kbp s HIS 401 CO -0.12 -0.77 0.89 0.12 -2.47 0.00 0.00 174.74 172.40 3kbp s PHE 402 N 1.32 3.39 0.06 3.88 5.36 -0.31 -1.74 117.98 129.93 3kbp s PHE 402 Ca -0.04 1.40 -0.10 0.00 -0.96 0.00 0.00 56.93 57.24 3kbp s PHE 402 Cb -0.19 -2.71 0.01 0.00 -0.34 0.00 0.00 43.02 39.78 3kbp s PHE 402 CO 0.00 -0.15 0.21 -1.12 -1.46 0.00 0.00 175.22 172.71 3kbp s SER 403 N -2.62 0.03 -0.26 6.13 0.01 -0.08 -1.96 113.70 114.96 3kbp s SER 403 Ca 0.58 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 57.38 3kbp s SER 403 Cb -0.10 0.32 0.08 0.00 0.21 0.00 0.00 66.02 66.54 3kbp s SER 403 CO 0.22 -0.63 0.09 0.86 0.41 0.00 0.00 173.24 174.19 3kbp s TRP 404 N -3.02 0.95 -0.22 2.43 -0.00 -0.38 -2.25 118.94 116.46 3kbp s TRP 404 Ca -0.02 -1.09 -0.20 0.00 -0.00 0.00 0.00 56.10 54.80 3kbp s TRP 404 Cb 0.01 -1.17 -0.02 0.00 -0.00 0.00 0.00 33.47 32.28 3kbp s TRP 404 CO -0.06 -0.75 0.60 1.21 -0.00 0.00 0.00 176.95 177.95 3kbp s ASN 405 N 1.88 6.62 0.46 5.86 3.84 -1.13 -1.61 114.94 130.86 3kbp s ASN 405 Ca 0.06 0.75 -0.19 0.00 0.21 0.00 0.00 52.86 53.68 3kbp s ASN 405 Cb -0.17 -2.33 -0.10 0.00 -0.55 0.00 0.00 41.25 38.11 3kbp s ASN 405 CO -0.22 -0.28 0.95 -0.13 -2.79 0.00 0.00 177.10 174.63 3kbp s ARG 406 N 2.06 4.11 0.43 0.43 0.52 -1.26 -3.26 118.95 121.97 3kbp s ARG 406 Ca 0.27 1.03 0.17 0.00 -0.52 0.00 0.00 55.73 56.68 3kbp s ARG 406 Cb -0.16 -2.17 0.96 0.00 0.52 0.00 0.00 34.95 34.10 3kbp s ARG 406 CO 0.10 -0.11 1.91 -0.91 0.02 0.00 0.00 175.30 176.31 3kbp h ASN 407 N 1.54 0.00 -0.26 0.23 4.21 -1.03 -2.62 115.58 117.64 3kbp h ASN 407 Ca -0.48 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 56.89 3kbp h ASN 407 Cb 1.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 3kbp h ASN 407 CO 0.61 0.27 -0.32 1.56 -1.29 0.00 0.00 177.43 178.26 3kbp h GLN 408 N 0.00 0.78 -7.40 0.81 7.50 -1.91 -3.45 115.11 111.44 3kbp h GLN 408 Ca -0.00 -0.37 -0.43 0.00 0.50 0.00 0.00 58.65 58.35 3kbp h GLN 408 Cb 0.53 -0.01 0.18 0.00 0.05 0.00 0.00 27.48 28.23 3kbp h GLN 408 CO 0.03 0.99 0.16 -0.51 -1.50 0.00 0.00 178.83 178.01 3kbp s ASP 409 N -6.80 1.60 0.52 1.46 1.01 -0.99 -5.02 116.67 108.44 3kbp s ASP 409 Ca -0.09 0.81 -0.06 0.00 0.71 0.00 0.00 52.55 53.92 3kbp s ASP 409 Cb 0.12 -1.21 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 3kbp s ASP 409 CO 0.85 -3.72 0.84 -0.83 0.21 0.00 0.00 175.17 172.51 3kbp s GLY 410 N -3.77 1.54 0.31 0.21 0.00 -1.26 -4.91 107.32 99.43 3kbp s GLY 410 Ca 0.69 -0.50 0.09 0.00 0.00 0.00 0.00 44.72 45.00 3kbp s GLY 410 CO 0.56 -0.30 1.44 -0.62 0.00 0.00 0.00 173.10 174.19 3kbp n VAL 411 N -2.39 -0.38 -0.06 1.40 0.31 -1.26 -1.20 118.33 114.75 3kbp n VAL 411 Ca 0.02 1.95 0.09 0.00 -0.01 0.00 0.00 64.34 66.40 3kbp n VAL 411 Cb 0.55 -2.98 0.28 0.00 -0.91 0.00 0.00 33.84 30.79 3kbp n VAL 411 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kbp n ALA 412 N -2.84 2.56 -2.54 3.52 0.00 -1.26 -4.63 120.51 115.32 3kbp n ALA 412 Ca 0.27 -1.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.12 3kbp n ALA 412 Cb 0.90 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 3kbp n ALA 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kbp s VAL 413 N -1.33 4.68 -1.20 0.00 1.01 -0.34 -4.99 120.40 118.23 3kbp s VAL 413 Ca 0.42 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 3kbp s VAL 413 Cb 0.23 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.40 3kbp s VAL 413 CO 0.27 -0.70 1.57 -1.61 0.00 0.00 0.00 175.10 174.62 3kbp s GLU 414 N 3.20 3.92 0.64 2.72 2.02 -1.26 -4.11 118.70 125.83 3kbp s GLU 414 Ca 0.28 -1.96 0.22 0.00 0.02 0.00 0.00 54.97 53.53 3kbp s GLU 414 Cb -0.13 -5.35 1.12 0.00 0.10 0.00 0.00 34.13 29.87 3kbp s GLU 414 CO 0.22 -2.10 1.62 0.00 0.02 0.00 0.00 175.26 175.02 3kbp h ALA 415 N 7.96 1.85 -2.51 5.21 0.00 -1.67 -3.39 119.26 126.71 3kbp h ALA 415 Ca 0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3kbp h ALA 415 Cb 0.91 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 3kbp h ALA 415 CO 1.38 -0.73 -0.22 0.34 0.00 0.00 0.00 179.25 180.02 3kbp s ASP 416 N -4.13 -0.20 -0.17 0.00 2.15 -1.10 -4.98 116.67 108.24 3kbp s ASP 416 Ca -0.03 -0.02 -0.28 0.00 0.43 0.00 0.00 52.55 52.66 3kbp s ASP 416 Cb 0.09 0.36 0.07 0.00 -0.30 0.00 0.00 42.92 43.13 3kbp s ASP 416 CO 0.28 -0.56 0.70 -0.55 -0.17 0.00 0.00 175.17 174.88 3kbp s SER 417 N -1.74 -0.71 -0.17 -0.34 0.15 -1.26 -1.24 113.70 108.39 3kbp s SER 417 Ca -0.09 1.11 -0.22 0.00 0.70 0.00 0.00 55.95 57.45 3kbp s SER 417 Cb -0.02 1.03 0.06 0.00 -1.71 0.00 0.00 66.02 65.38 3kbp s SER 417 CO 0.00 -0.42 0.59 -0.69 1.20 0.00 0.00 173.24 173.93 3kbp s VAL 418 N -0.36 0.01 -0.15 4.45 1.01 -0.83 -5.00 120.40 119.53 3kbp s VAL 418 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3kbp s VAL 418 Cb -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3kbp s VAL 418 CO 0.05 -0.02 0.18 0.26 0.00 0.00 0.00 175.10 175.57 3kbp s TRP 419 N -0.12 3.51 -0.20 5.22 0.52 -1.26 -1.16 118.94 125.44 3kbp s TRP 419 Ca -0.03 0.49 -0.08 0.00 0.02 0.00 0.00 56.10 56.50 3kbp s TRP 419 Cb -0.03 -2.13 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3kbp s TRP 419 CO 0.03 0.46 0.08 -0.06 0.02 0.00 0.00 176.95 177.48 3kbp s PHE 420 N -0.19 3.24 -0.26 -1.98 0.40 0.26 -4.90 117.98 114.55 3kbp s PHE 420 Ca 0.13 0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.39 3kbp s PHE 420 Cb -0.12 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 3kbp s PHE 420 CO 0.02 0.06 0.15 -0.06 0.70 0.00 0.00 175.22 176.09 3kbp s PHE 421 N 0.68 3.22 -0.29 0.36 0.08 -1.26 -2.55 117.98 118.22 3kbp s PHE 421 Ca 0.04 0.03 -0.35 0.00 0.12 0.00 0.00 56.93 56.77 3kbp s PHE 421 Cb -0.13 -2.30 -0.11 0.00 -0.57 0.00 0.00 43.02 39.91 3kbp s PHE 421 CO 0.02 -0.12 2.10 -1.71 -0.10 0.00 0.00 175.22 175.41 3kbp n ASN 422 N 4.72 2.49 0.30 1.36 2.85 -0.53 -4.78 115.26 121.68 3kbp n ASN 422 Ca -0.15 0.54 0.12 0.00 -0.11 0.00 0.00 54.58 54.98 3kbp n ASN 422 Cb 0.52 -1.30 0.61 0.00 1.24 0.00 0.00 39.78 40.85 3kbp n ASN 422 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3kbp h ARG 423 N 11.71 0.00 0.00 1.20 2.47 -1.85 0.82 114.38 128.73 3kbp h ARG 423 Ca -0.34 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.03 3kbp h ARG 423 Cb 1.30 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.57 3kbp h ARG 423 CO 1.00 0.00 -2.26 1.58 0.56 0.00 0.00 179.97 180.84 3kbp n HIS 424 N -2.87 0.00 1.10 3.04 -0.00 -1.26 -4.57 115.22 110.66 3kbp n HIS 424 Ca -0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 3kbp n HIS 424 Cb 0.58 -0.83 0.20 0.00 -0.12 0.00 0.00 29.99 29.81 3kbp n HIS 424 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3kbp n TRP 425 N -3.53 0.00 -2.70 1.57 7.02 -1.14 -4.77 117.44 113.89 3kbp n TRP 425 Ca -0.42 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.00 3kbp n TRP 425 Cb 0.87 -0.11 0.08 0.00 -2.42 0.00 0.00 31.31 29.72 3kbp n TRP 425 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3kbp n TYR 426 N -0.88 -1.77 -0.39 -5.99 9.36 0.27 -4.92 117.16 112.83 3kbp n TYR 426 Ca 0.09 -1.26 -0.09 0.00 3.32 0.00 0.00 57.90 59.95 3kbp n TYR 426 Cb 0.37 1.34 -0.03 0.00 -0.63 0.00 0.00 39.34 40.39 3kbp n TYR 426 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3kbp n PRO 427 N 1.19 0.98 -4.02 2.98 -0.02 -1.19 -3.85 135.00 131.06 3kbp n PRO 427 Ca 0.03 -0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 60.47 3kbp n PRO 427 Cb 0.69 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 3kbp n PRO 427 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kbp s VAL 428 N 3.21 4.98 -0.07 -1.45 -7.23 -1.26 -5.04 120.40 113.54 3kbp s VAL 428 Ca 0.23 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 3kbp s VAL 428 Cb 0.08 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.64 3kbp s VAL 428 CO -0.01 0.30 1.87 -0.62 -0.31 0.00 0.00 175.10 176.32 3kbp s ASP 429 N -1.94 6.33 -0.13 4.85 -1.08 -1.26 -4.82 116.67 118.62 3kbp s ASP 429 Ca 0.26 2.25 0.16 0.00 -0.52 0.00 0.00 52.55 54.70 3kbp s ASP 429 Cb -0.12 -2.53 -0.24 0.00 -1.46 0.00 0.00 42.92 38.57 3kbp s ASP 429 CO 0.18 -1.21 0.30 -0.90 0.52 0.00 0.00 175.17 174.06 3kbp n ASP 430 N 8.28 0.31 -1.50 -0.34 5.68 -1.26 -4.95 116.55 122.78 3kbp n ASP 430 Ca 0.21 0.15 -0.04 0.00 -0.50 0.00 0.00 54.79 54.60 3kbp n ASP 430 Cb 0.43 0.65 -0.04 0.00 -1.14 0.00 0.00 41.12 41.02 3kbp n ASP 430 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kbp n SER 431 N -2.84 -0.60 0.00 -1.12 7.64 -1.26 -5.04 113.62 110.40 3kbp n SER 431 Ca -0.26 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.29 3kbp n SER 431 Cb 1.10 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 3kbp n SER 431 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38