#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcc n GLU 2 N 0.00 3.38 -2.78 0.03 4.71 -1.26 -4.94 120.64 119.78 2kcc n GLU 2 Ca 0.00 -3.83 -0.43 0.00 -0.01 0.00 0.00 57.16 52.89 2kcc n GLU 2 Cb 0.00 -3.04 -0.01 0.00 -1.01 0.00 0.00 31.44 27.38 2kcc n GLU 2 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2kcc s ASN 3 N 2.76 6.83 0.61 1.62 -0.87 -1.26 -4.89 114.94 119.74 2kcc s ASN 3 Ca 0.43 -2.40 0.00 0.00 -1.57 0.00 0.00 52.86 49.32 2kcc s ASN 3 Cb -0.02 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 2kcc s ASN 3 CO 0.00 -1.05 0.00 -0.67 -2.57 0.00 0.00 177.10 172.81 2kcc n ASP 4 N 7.11 -8.00 0.05 -1.22 2.03 -1.26 -4.46 116.55 110.80 2kcc n ASP 4 Ca 0.37 1.60 0.14 0.00 0.52 0.00 0.00 54.79 57.42 2kcc n ASP 4 Cb 0.46 -5.05 0.51 0.00 -0.72 0.00 0.00 41.12 36.33 2kcc n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2kcc n PRO 5 N -3.77 0.12 -1.20 -0.67 -0.04 -1.26 -3.89 135.00 124.28 2kcc n PRO 5 Ca -0.06 0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2kcc n PRO 5 Cb 0.61 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2kcc n PRO 5 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kcc n THR 6 N -1.86 3.08 -4.15 0.52 -2.24 -1.26 -4.76 114.28 103.62 2kcc n THR 6 Ca 0.06 -2.36 -0.15 0.00 -2.27 0.00 0.00 64.05 59.33 2kcc n THR 6 Cb 0.38 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 2kcc n THR 6 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kcc s VAL 7 N -2.40 0.00 -0.11 2.28 -7.23 -1.25 -1.72 120.40 109.97 2kcc s VAL 7 Ca 0.46 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2kcc s VAL 7 Cb 0.32 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.73 2kcc s VAL 7 CO -0.11 0.00 0.32 -0.22 -0.31 0.00 0.00 175.10 174.78 2kcc s LEU 8 N -3.26 0.79 -0.11 1.32 1.98 -0.74 -4.19 118.68 114.48 2kcc s LEU 8 Ca 0.34 0.60 -0.12 0.00 -2.89 0.00 0.00 54.13 52.06 2kcc s LEU 8 Cb 0.01 1.11 0.03 0.00 0.66 0.00 0.00 46.19 48.00 2kcc s LEU 8 CO 0.21 -0.13 0.33 -0.13 -1.89 0.00 0.00 176.35 174.74 2kcc s ARG 9 N 0.07 0.45 0.46 1.98 0.52 -1.26 -2.13 118.95 119.03 2kcc s ARG 9 Ca -0.01 0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.32 2kcc s ARG 9 Cb -0.02 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 2kcc s ARG 9 CO 0.01 -0.07 1.19 0.45 0.02 0.00 0.00 175.30 176.90 2kcc s SER 10 N -0.10 6.14 0.36 0.23 0.15 -1.01 -4.87 113.70 114.60 2kcc s SER 10 Ca -0.02 2.38 0.18 0.00 0.70 0.00 0.00 55.95 59.19 2kcc s SER 10 Cb -0.03 -2.61 0.60 0.00 -1.71 0.00 0.00 66.02 62.27 2kcc s SER 10 CO 0.01 -0.95 1.70 1.55 1.20 0.00 0.00 173.24 176.75 2kcc h PRO 11 N 2.11 0.00 -3.60 5.44 0.13 -1.93 -2.78 132.00 131.37 2kcc h PRO 11 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2kcc h PRO 11 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2kcc h PRO 11 CO 0.60 0.40 -0.04 -1.54 -0.23 0.00 0.00 178.00 177.19 2kcc s SER 12 N -6.44 0.18 -0.15 1.44 1.04 -1.26 -4.70 113.70 103.81 2kcc s SER 12 Ca 0.01 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 2kcc s SER 12 Cb 0.11 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.88 2kcc s SER 12 CO 0.69 -1.30 1.22 0.00 0.98 0.00 0.00 173.24 174.83 2kcc s ALA 13 N -3.45 3.63 0.00 5.32 0.00 -1.26 -3.58 121.76 122.42 2kcc s ALA 13 Ca 0.22 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2kcc s ALA 13 Cb -0.02 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2kcc s ALA 13 CO 0.12 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2kcc n GLY 14 N 3.52 4.79 3.63 0.00 0.00 0.26 -4.85 105.19 112.53 2kcc n GLY 14 Ca 0.13 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2kcc n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcc s LYS 15 N 4.26 0.75 -0.69 1.61 2.36 -1.25 -1.69 119.74 125.09 2kcc s LYS 15 Ca 0.00 0.87 -0.26 0.00 -2.55 0.00 0.00 55.97 54.03 2kcc s LYS 15 Cb 0.00 0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 37.10 2kcc s LYS 15 CO 0.00 -0.09 1.98 -1.17 1.55 0.00 0.00 175.35 177.62 2kcc s LEU 16 N 0.30 3.24 0.03 5.43 2.96 -0.64 -1.79 118.68 128.23 2kcc s LEU 16 Ca 0.01 0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 2kcc s LEU 16 Cb -0.05 -2.54 -0.24 0.00 0.50 0.00 0.00 46.19 43.86 2kcc s LEU 16 CO -0.01 -2.63 1.13 0.00 -1.32 0.00 0.00 176.35 173.52 2kcc h THR 17 N 7.13 1.36 -0.82 3.68 1.03 -1.87 -3.29 112.91 120.13 2kcc h THR 17 Ca -0.14 -2.20 0.00 0.00 -0.01 0.00 0.00 66.41 64.06 2kcc h THR 17 Cb 1.12 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.74 2kcc h THR 17 CO 1.20 0.66 0.00 1.67 -0.01 0.00 0.00 175.52 179.04 2kcc n GLN 18 N -4.03 0.00 -3.75 0.00 7.27 -1.25 -4.97 117.38 110.65 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.83 2kcc n GLN 18 Cb 0.79 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.34 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kcc s TYR 19 N -3.29 -0.39 -0.71 3.69 -0.85 -1.26 -3.31 117.35 111.23 2kcc s TYR 19 Ca 0.00 0.93 0.23 0.00 -0.52 0.00 0.00 57.07 57.71 2kcc s TYR 19 Cb 0.00 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.48 2kcc s TYR 19 CO 0.00 -0.21 1.00 0.25 -1.52 0.00 0.00 175.55 175.07 2kcc n THR 20 N 2.76 0.09 -3.76 -3.49 -2.24 -1.11 -4.92 114.28 101.61 2kcc n THR 20 Ca -0.14 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2kcc n THR 20 Cb 0.57 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 69.11 2kcc n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kcc s VAL 21 N -3.15 0.03 1.25 2.28 -7.23 -1.20 -4.96 120.40 107.42 2kcc s VAL 21 Ca 0.05 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 2kcc s VAL 21 Cb 0.15 -0.55 0.31 0.00 0.56 0.00 0.00 36.38 36.86 2kcc s VAL 21 CO 0.82 -0.13 1.04 -1.84 -0.31 0.00 0.00 175.10 174.67 2kcc n GLU 22 N 2.11 -3.41 -1.69 4.82 0.28 -1.26 -4.79 120.64 116.69 2kcc n GLU 22 Ca -0.17 -1.67 -0.42 0.00 -0.16 0.00 0.00 57.16 54.74 2kcc n GLU 22 Cb 0.57 -1.65 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kcc n ASP 23 N -5.00 4.06 -0.48 -1.84 8.00 -1.26 -1.58 116.55 118.45 2kcc n ASP 23 Ca 0.15 0.99 -0.05 0.00 0.71 0.00 0.00 54.79 56.59 2kcc n ASP 23 Cb 0.58 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcc n GLY 24 N 4.24 0.33 3.62 0.44 0.00 0.28 -4.96 105.19 109.13 2kcc n GLY 24 Ca 0.18 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2kcc n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcc s GLY 25 N -2.84 1.11 0.02 -0.02 0.00 -0.61 -4.48 107.32 100.50 2kcc s GLY 25 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 2kcc s GLY 25 CO 0.00 3.05 1.88 -2.38 0.00 0.00 0.00 173.10 175.64 2kcc s HIS 26 N 5.62 1.54 -0.08 1.90 -3.43 -1.26 -2.52 115.29 117.06 2kcc s HIS 26 Ca 0.73 -0.25 -0.06 0.00 -0.80 0.00 0.00 55.06 54.67 2kcc s HIS 26 Cb -0.23 -4.16 0.02 0.00 -1.43 0.00 0.00 32.58 26.78 2kcc s HIS 26 CO 0.31 -5.08 0.20 0.14 -2.00 0.00 0.00 174.74 168.31 2kcc s VAL 27 N 4.17 -0.01 0.57 -5.38 -7.23 -0.91 -4.98 120.40 106.64 2kcc s VAL 27 Ca 0.84 0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.97 2kcc s VAL 27 Cb -0.41 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2kcc s VAL 27 CO 0.38 0.01 0.91 -1.83 -0.31 0.00 0.00 175.10 174.27 2kcc s GLU 28 N 0.35 3.33 0.10 4.82 -1.05 -1.26 -2.70 118.70 122.28 2kcc s GLU 28 Ca -0.02 0.33 -0.36 0.00 -0.15 0.00 0.00 54.97 54.77 2kcc s GLU 28 Cb -0.03 -2.23 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.01 -0.52 1.28 0.00 0.95 0.00 0.00 175.26 176.96 2kcc n ALA 29 N -2.56 -1.13 0.00 -0.84 0.00 -1.22 -0.62 120.51 114.14 2kcc n ALA 29 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kcc n ALA 29 Cb 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2kcc n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kcc n GLY 30 N 2.35 3.16 3.72 0.00 0.00 -0.25 -4.93 105.19 109.22 2kcc n GLY 30 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2kcc n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcc s SER 31 N -0.24 6.96 0.33 1.61 0.15 0.20 -4.70 113.70 118.01 2kcc s SER 31 Ca 0.00 2.18 -0.29 0.00 0.70 0.00 0.00 55.95 58.54 2kcc s SER 31 Cb 0.00 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.62 2kcc s SER 31 CO 0.00 -0.55 1.30 -0.94 1.20 0.00 0.00 173.24 174.25 2kcc s SER 32 N 1.03 6.78 0.00 5.45 1.04 -1.26 -2.42 113.70 124.32 2kcc s SER 32 Ca 0.61 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.73 2kcc s SER 32 Cb -0.33 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.14 2kcc s SER 32 CO 0.30 -0.53 0.00 0.00 0.98 0.00 0.00 173.24 173.99 2kcc n TYR 33 N 0.81 0.00 -3.79 5.02 0.18 0.72 -4.78 117.16 115.32 2kcc n TYR 33 Ca -0.00 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.78 2kcc n TYR 33 Cb 0.42 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.39 2kcc n TYR 33 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kcc n ALA 34 N -1.20 -1.53 -2.54 -3.48 0.00 -1.16 -2.75 120.51 107.85 2kcc n ALA 34 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 2kcc n ALA 34 Cb 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 2kcc n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kcc s GLU 35 N -2.02 1.07 -0.18 0.00 8.01 -1.21 0.57 118.70 124.95 2kcc s GLU 35 Ca 0.13 -1.25 -0.08 0.00 0.01 0.00 0.00 54.97 53.78 2kcc s GLU 35 Cb -0.01 0.33 0.07 0.00 -4.31 0.00 0.00 34.13 30.22 2kcc s GLU 35 CO 0.01 -0.37 0.40 0.00 0.01 0.00 0.00 175.26 175.32 2kcc s MET 36 N -3.99 0.35 -0.49 1.61 0.23 -0.42 -3.02 119.30 113.56 2kcc s MET 36 Ca 0.19 0.90 -0.22 0.00 -1.03 0.00 0.00 55.69 55.53 2kcc s MET 36 Cb 0.05 0.14 0.04 0.00 -1.53 0.00 0.00 34.83 33.52 2kcc s MET 36 CO 0.00 -0.21 0.76 -2.00 -2.03 0.00 0.00 175.02 171.55 2kcc s GLU 37 N 2.01 3.29 0.60 3.16 2.12 -0.74 -2.43 118.70 126.70 2kcc s GLU 37 Ca -0.05 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.88 2kcc s GLU 37 Cb -0.10 -4.01 0.05 0.00 0.26 0.00 0.00 34.13 30.32 2kcc s GLU 37 CO -0.12 -1.23 0.84 0.08 -0.54 0.00 0.00 175.26 174.28 2kcc s VAL 38 N 3.23 2.54 0.55 3.70 1.01 -0.92 -3.85 120.40 126.65 2kcc s VAL 38 Ca 0.25 -0.61 0.23 0.00 0.00 0.00 0.00 61.98 61.85 2kcc s VAL 38 Cb -0.14 -2.93 0.33 0.00 0.00 0.00 0.00 36.38 33.64 2kcc s VAL 38 CO 0.18 0.00 2.13 0.24 0.00 0.00 0.00 175.10 177.66 2kcc h MET 39 N -0.10 0.00 0.00 2.72 0.00 -1.96 -3.23 114.93 112.36 2kcc h MET 39 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.29 2kcc h MET 39 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.89 2kcc h MET 39 CO 0.51 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.05 2kcc n LYS 40 N -4.22 0.00 -3.09 1.72 4.01 -1.26 -5.07 118.16 110.25 2kcc n LYS 40 Ca 0.00 0.30 -0.09 0.00 -0.51 0.00 0.00 58.31 58.01 2kcc n LYS 40 Cb 0.23 -0.86 -0.01 0.00 -0.51 0.00 0.00 35.03 33.89 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2kcc n MET 41 N -1.39 0.56 -2.95 1.97 2.81 -1.22 -5.16 117.12 111.74 2kcc n MET 41 Ca 0.00 -1.77 -0.33 0.00 -1.81 0.00 0.00 57.70 53.78 2kcc n MET 41 Cb 0.00 1.83 -0.07 0.00 -0.71 0.00 0.00 33.22 34.28 2kcc n MET 41 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2kcc s ILE 42 N -2.61 4.50 0.07 2.02 1.10 -1.26 -2.17 121.20 122.85 2kcc s ILE 42 Ca 0.17 1.30 -0.07 0.00 -0.51 0.00 0.00 60.65 61.54 2kcc s ILE 42 Cb -0.01 -3.65 -0.01 0.00 0.15 0.00 0.00 42.46 38.94 2kcc s ILE 42 CO 0.12 -0.21 0.14 -0.04 -2.11 0.00 0.00 174.94 172.85 2kcc s MET 43 N -2.96 0.77 -0.09 3.50 -1.94 -1.02 -4.96 119.30 112.60 2kcc s MET 43 Ca 0.57 -0.97 0.04 0.00 -1.71 0.00 0.00 55.69 53.63 2kcc s MET 43 Cb -0.11 0.31 -0.00 0.00 2.01 0.00 0.00 34.83 37.04 2kcc s MET 43 CO 0.16 -0.22 -0.24 0.99 -0.01 0.00 0.00 175.02 175.69 2kcc s THR 44 N -3.68 2.06 0.19 2.05 2.01 -1.26 -1.30 115.64 115.70 2kcc s THR 44 Ca 0.04 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 2kcc s THR 44 Cb 0.05 -1.77 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 2kcc s THR 44 CO -0.10 0.56 0.52 -0.76 -0.69 0.00 0.00 174.62 174.16 2kcc s LEU 45 N 0.26 4.23 0.30 4.42 2.01 0.19 -4.95 118.68 125.15 2kcc s LEU 45 Ca -0.16 0.92 0.03 0.00 0.01 0.00 0.00 54.13 54.93 2kcc s LEU 45 Cb -0.17 -3.49 -0.04 0.00 0.01 0.00 0.00 46.19 42.50 2kcc s LEU 45 CO 0.08 0.00 0.17 0.54 1.01 0.00 0.00 176.35 178.15 2kcc s ASN 46 N -2.15 1.47 0.23 2.29 2.20 -1.26 -0.20 114.94 117.52 2kcc s ASN 46 Ca 0.43 -1.56 -0.05 0.00 -0.94 0.00 0.00 52.86 50.74 2kcc s ASN 46 Cb -0.12 0.40 -0.05 0.00 -2.00 0.00 0.00 41.25 39.47 2kcc s ASN 46 CO 0.21 -0.90 0.48 0.68 -2.94 0.00 0.00 177.10 174.63 2kcc s VAL 47 N -3.63 5.08 -0.26 3.54 -7.23 -1.02 -4.85 120.40 112.04 2kcc s VAL 47 Ca 0.36 0.03 0.20 0.00 -1.81 0.00 0.00 61.98 60.76 2kcc s VAL 47 Cb 0.05 -3.69 0.09 0.00 0.56 0.00 0.00 36.38 33.39 2kcc s VAL 47 CO 0.18 -0.17 1.24 0.06 -0.31 0.00 0.00 175.10 176.10 2kcc h GLN 48 N 2.14 0.00 -3.53 4.82 -0.00 -1.91 -0.65 115.11 115.98 2kcc h GLN 48 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.08 2kcc h GLN 48 Cb 1.18 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.60 2kcc h GLN 48 CO 0.68 0.14 0.01 -1.21 -0.00 0.00 0.00 178.83 178.45 2kcc s GLU 49 N -3.17 1.87 0.25 0.06 2.02 -1.26 -4.73 118.70 113.74 2kcc s GLU 49 Ca 0.02 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.30 2kcc s GLU 49 Cb 0.08 0.52 -0.09 0.00 0.10 0.00 0.00 34.13 34.74 2kcc s GLU 49 CO 0.75 -0.82 1.31 1.03 0.02 0.00 0.00 175.26 177.55 2kcc s ARG 50 N -3.26 4.39 0.00 1.61 3.00 -1.26 -3.37 118.95 120.06 2kcc s ARG 50 Ca 0.21 2.11 0.00 0.00 0.00 0.00 0.00 55.73 58.06 2kcc s ARG 50 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2kcc s ARG 50 CO 0.13 -0.21 0.00 0.41 0.00 0.00 0.00 175.30 175.63 2kcc n GLY 51 N 1.75 -0.05 3.60 -3.53 0.00 -1.10 -4.30 105.19 101.57 2kcc n GLY 51 Ca 0.04 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2kcc n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcc s ARG 52 N -2.00 4.00 -0.14 1.61 3.00 -0.68 -2.13 118.95 122.61 2kcc s ARG 52 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 55.73 55.55 2kcc s ARG 52 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 34.95 31.27 2kcc s ARG 52 CO 0.00 -0.32 0.93 0.08 0.00 0.00 0.00 175.30 175.98 2kcc s VAL 53 N 2.15 4.83 -0.25 3.52 1.01 -1.05 -1.57 120.40 129.04 2kcc s VAL 53 Ca 0.17 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 2kcc s VAL 53 Cb -0.16 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2kcc s VAL 53 CO 0.10 0.01 -0.08 -0.54 0.00 0.00 0.00 175.10 174.59 2kcc s LYS 54 N 2.09 2.63 0.23 2.72 1.02 0.30 0.98 119.74 129.72 2kcc s LYS 54 Ca 0.44 -1.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.01 2kcc s LYS 54 Cb -0.17 -2.95 -0.12 0.00 -0.52 0.00 0.00 37.83 34.07 2kcc s LYS 54 CO 0.15 -0.46 1.61 0.66 -0.92 0.00 0.00 175.35 176.39 2kcc n TYR 55 N 4.59 2.62 -0.09 3.18 4.02 -1.26 -0.11 117.16 130.11 2kcc n TYR 55 Ca -0.16 0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 2kcc n TYR 55 Cb 0.45 -2.60 -0.06 0.00 -0.02 0.00 0.00 39.34 37.12 2kcc n TYR 55 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2kcc n ILE 56 N 2.98 1.13 -1.32 -0.72 -0.00 -1.17 -4.88 119.36 115.38 2kcc n ILE 56 Ca 0.13 -0.20 -0.29 0.00 -0.00 0.00 0.00 62.75 62.40 2kcc n ILE 56 Cb 0.34 -1.82 0.16 0.00 -0.00 0.00 0.00 39.64 38.31 2kcc n ILE 56 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2kcc s LYS 57 N -2.40 0.72 0.41 0.38 3.01 -1.25 -5.03 119.74 115.58 2kcc s LYS 57 Ca -0.26 0.43 -0.01 0.00 -1.01 0.00 0.00 55.97 55.12 2kcc s LYS 57 Cb 0.09 -1.78 -0.02 0.00 -1.01 0.00 0.00 37.83 35.12 2kcc s LYS 57 CO 0.34 -2.52 0.64 1.03 0.51 0.00 0.00 175.35 175.35 2kcc s ARG 58 N -5.09 3.30 0.11 1.68 3.00 -1.26 -5.04 118.95 115.66 2kcc s ARG 58 Ca 0.65 -0.32 -0.31 0.00 0.00 0.00 0.00 55.73 55.75 2kcc s ARG 58 Cb -0.17 -2.57 -0.09 0.00 0.00 0.00 0.00 34.95 32.13 2kcc s ARG 58 CO 0.56 -0.10 1.50 -1.25 0.00 0.00 0.00 175.30 176.01 2kcc s PRO 59 N -4.49 4.26 0.00 3.54 0.04 -1.26 -2.31 135.00 134.78 2kcc s PRO 59 Ca 0.45 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2kcc s PRO 59 Cb -0.10 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2kcc s PRO 59 CO 0.38 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2kcc n GLY 60 N 3.69 2.68 3.68 0.56 0.00 -1.24 -5.02 105.19 109.53 2kcc n GLY 60 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2kcc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc n ALA 61 N -0.96 0.95 -2.62 4.61 0.00 -0.98 -4.36 120.51 117.16 2kcc n ALA 61 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2kcc n ALA 61 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 2kcc n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kcc s VAL 62 N -1.31 4.62 0.27 0.00 1.01 -1.26 -1.62 120.40 122.11 2kcc s VAL 62 Ca 0.68 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 64.33 2kcc s VAL 62 Cb -0.47 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.61 2kcc s VAL 62 CO 0.53 0.02 0.82 -0.76 0.00 0.00 0.00 175.10 175.71 2kcc s LEU 63 N 1.94 4.33 0.11 3.92 2.01 -0.68 -4.89 118.68 125.41 2kcc s LEU 63 Ca 0.51 1.60 0.10 0.00 0.01 0.00 0.00 54.13 56.35 2kcc s LEU 63 Cb -0.21 -3.80 -0.04 0.00 0.01 0.00 0.00 46.19 42.16 2kcc s LEU 63 CO 0.20 -0.02 -0.25 -1.61 1.01 0.00 0.00 176.35 175.68 2kcc s GLU 64 N -2.06 1.38 -0.62 1.70 2.02 -1.26 0.93 118.70 120.79 2kcc s GLU 64 Ca 0.47 -1.24 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 2kcc s GLU 64 Cb -0.17 -1.76 -0.09 0.00 0.10 0.00 0.00 34.13 32.22 2kcc s GLU 64 CO 0.22 0.42 2.33 0.00 0.02 0.00 0.00 175.26 178.25 2kcc s ALA 65 N -1.03 1.37 0.00 5.21 0.00 -1.23 -1.02 121.76 125.05 2kcc s ALA 65 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2kcc s ALA 65 Cb -0.10 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2kcc s ALA 65 CO 0.05 -4.92 0.00 0.41 0.00 0.00 0.00 175.76 171.30 2kcc n GLY 66 N 6.29 1.70 3.76 0.00 0.00 -1.05 -4.91 105.19 110.98 2kcc n GLY 66 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 2kcc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc s VAL 68 N -1.46 4.06 -0.48 0.00 1.01 -1.26 -2.39 120.40 119.88 2kcc s VAL 68 Ca 0.71 0.70 0.24 0.00 0.00 0.00 0.00 61.98 63.63 2kcc s VAL 68 Cb -0.34 -4.71 0.25 0.00 0.00 0.00 0.00 36.38 31.58 2kcc s VAL 68 CO 0.39 -1.36 1.53 0.58 0.00 0.00 0.00 175.10 176.24 2kcc h VAL 69 N 6.11 0.00 -1.98 2.92 2.07 -1.76 -3.37 116.25 120.24 2kcc h VAL 69 Ca -0.26 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.43 2kcc h VAL 69 Cb 1.06 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2kcc h VAL 69 CO 1.18 0.00 0.14 0.00 0.02 0.00 0.00 177.57 178.90 2kcc n ALA 70 N -2.03 -0.66 -3.15 1.67 0.00 -1.19 -3.05 120.51 112.09 2kcc n ALA 70 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 2kcc n ALA 70 Cb 0.51 0.19 -0.13 0.00 0.00 0.00 0.00 19.45 20.02 2kcc n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcc s ARG 71 N -2.02 0.10 0.28 0.00 1.81 0.84 -1.79 118.95 118.18 2kcc s ARG 71 Ca 0.06 0.18 -0.01 0.00 -1.72 0.00 0.00 55.73 54.24 2kcc s ARG 71 Cb -0.01 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 2kcc s ARG 71 CO 0.02 -0.05 0.48 -0.51 -0.68 0.00 0.00 175.30 174.56 2kcc s LEU 72 N 0.31 4.12 -0.37 2.53 2.01 -0.70 0.11 118.68 126.69 2kcc s LEU 72 Ca -0.02 0.46 0.02 0.00 0.01 0.00 0.00 54.13 54.60 2kcc s LEU 72 Cb -0.03 -3.28 0.15 0.00 0.01 0.00 0.00 46.19 43.04 2kcc s LEU 72 CO -0.01 -0.17 0.29 -1.61 1.01 0.00 0.00 176.35 175.86 2kcc s GLU 73 N -3.78 0.64 0.33 1.70 2.02 -0.61 -4.33 118.70 114.67 2kcc s GLU 73 Ca 0.40 -1.31 -0.29 0.00 0.02 0.00 0.00 54.97 53.79 2kcc s GLU 73 Cb -0.10 -1.12 -0.11 0.00 0.10 0.00 0.00 34.13 32.90 2kcc s GLU 73 CO 0.32 -1.24 1.45 -0.51 0.02 0.00 0.00 175.26 175.31 2kcc s LEU 74 N 1.01 4.36 0.25 1.80 1.02 -1.26 -1.69 118.68 124.17 2kcc s LEU 74 Ca 0.20 2.89 0.08 0.00 0.02 0.00 0.00 54.13 57.32 2kcc s LEU 74 Cb -0.16 -3.65 0.29 0.00 0.02 0.00 0.00 46.19 42.69 2kcc s LEU 74 CO -0.03 -0.77 1.58 0.44 0.02 0.00 0.00 176.35 177.58 2kcc h ASP 75 N 3.73 0.09 -0.42 2.29 5.19 -1.97 -3.47 116.42 121.86 2kcc h ASP 75 Ca -0.49 -0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 55.68 2kcc h ASP 75 Cb 1.23 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.64 2kcc h ASP 75 CO 0.69 0.70 -0.16 -0.67 -3.12 0.00 0.00 179.24 176.68 2kcc n ASP 76 N -3.80 -5.31 -4.43 6.45 2.03 -1.26 -4.89 116.55 105.33 2kcc n ASP 76 Ca -0.02 0.22 -0.43 0.00 0.52 0.00 0.00 54.79 55.08 2kcc n ASP 76 Cb 0.63 -3.60 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 2kcc n ASP 76 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kcc n LEU 77 N -1.01 5.31 -3.40 -2.67 4.77 -1.26 -4.84 117.00 113.89 2kcc n LEU 77 Ca -0.09 -4.27 0.02 0.00 -0.03 0.00 0.00 56.01 51.64 2kcc n LEU 77 Cb 0.50 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 2kcc n LEU 77 CO 0.14 0.59 0.43 -0.70 -1.33 0.00 0.00 177.39 176.52 2kcc s GLU 78 N 2.48 0.41 0.28 3.23 2.12 -1.26 -5.18 118.70 120.78 2kcc s GLU 78 Ca 0.47 0.94 0.05 0.00 0.36 0.00 0.00 54.97 56.78 2kcc s GLU 78 Cb 0.01 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.94 2kcc s GLU 78 CO 0.03 -0.23 0.18 -2.39 -0.54 0.00 0.00 175.26 172.30 2kcc n HIS 79 N 5.26 -0.37 -1.75 5.30 1.44 -1.26 -5.13 115.22 118.71 2kcc n HIS 79 Ca -0.08 -2.11 -0.42 0.00 -2.01 0.00 0.00 57.72 53.10 2kcc n HIS 79 Cb 0.51 0.15 -0.00 0.00 0.12 0.00 0.00 29.99 30.77 2kcc n HIS 79 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kcc n HIS 80 N -0.56 2.76 -1.70 -1.40 1.44 -1.26 -4.88 115.22 109.62 2kcc n HIS 80 Ca 0.02 0.47 -0.42 0.00 -2.01 0.00 0.00 57.72 55.79 2kcc n HIS 80 Cb 0.47 -2.50 -0.03 0.00 0.12 0.00 0.00 29.99 28.05 2kcc n HIS 80 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcc n HIS 81 N 0.47 2.68 -3.23 -1.40 -0.00 -1.26 -4.92 115.22 107.55 2kcc n HIS 81 Ca 0.03 -0.10 -0.45 0.00 0.46 0.00 0.00 57.72 57.66 2kcc n HIS 81 Cb 0.38 -2.72 0.00 0.00 -0.12 0.00 0.00 29.99 27.53 2kcc n HIS 81 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcc n HIS 82 N 5.16 5.07 -2.03 1.57 -0.00 -1.26 -5.03 115.22 118.71 2kcc n HIS 82 Ca 0.17 -3.73 -0.41 0.00 0.46 0.00 0.00 57.72 54.22 2kcc n HIS 82 Cb 0.37 -1.80 -0.02 0.00 -0.12 0.00 0.00 29.99 28.42 2kcc n HIS 82 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcc s HIS 83 N -0.72 2.98 -2.00 1.57 2.46 -1.26 -5.30 115.29 113.02 2kcc s HIS 83 Ca 0.34 1.18 0.02 0.00 0.47 0.00 0.00 55.06 57.07 2kcc s HIS 83 Cb -0.08 -3.79 0.12 0.00 -0.13 0.00 0.00 32.58 28.71 2kcc s HIS 83 CO -0.05 -2.40 0.61 0.72 -2.47 0.00 0.00 174.74 171.15