#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs n ALA 2 N 0.00 0.22 -2.96 1.55 0.00 -1.26 -4.95 120.51 113.10 2gbs n ALA 2 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 53.44 52.02 2gbs n ALA 2 Cb 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 2gbs n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gbs s TYR 3 N -1.92 2.66 0.43 0.00 2.02 -1.25 -2.28 117.35 117.00 2gbs s TYR 3 Ca 0.01 -0.70 0.04 0.00 -0.37 0.00 0.00 57.07 56.05 2gbs s TYR 3 Cb 0.00 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 2gbs s TYR 3 CO 0.01 -0.21 0.13 0.91 -1.57 0.00 0.00 175.55 174.82 2gbs n TRP 4 N 3.24 0.25 -3.70 2.71 7.02 0.36 -0.33 117.44 126.99 2gbs n TRP 4 Ca -0.18 -2.67 -0.11 0.00 -1.02 0.00 0.00 57.50 53.51 2gbs n TRP 4 Cb 0.53 -0.04 -0.10 0.00 -2.42 0.00 0.00 31.31 29.27 2gbs n TRP 4 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2gbs s LEU 5 N 0.00 0.01 0.03 -0.99 0.20 -0.11 -0.67 118.68 117.14 2gbs s LEU 5 Ca 0.19 0.92 0.08 0.00 0.69 0.00 0.00 54.13 56.01 2gbs s LEU 5 Cb 0.01 1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 47.19 2gbs s LEU 5 CO 0.13 -0.18 -0.24 0.68 -0.29 0.00 0.00 176.35 176.46 2gbs s VAL 6 N 1.02 1.90 -0.27 1.68 -7.23 -0.70 -1.25 120.40 115.55 2gbs s VAL 6 Ca -0.06 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2gbs s VAL 6 Cb -0.06 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2gbs s VAL 6 CO -0.09 0.34 0.05 -0.54 -0.31 0.00 0.00 175.10 174.56 2gbs s LYS 7 N -1.06 3.18 0.06 4.82 1.02 -1.20 -1.76 119.74 124.79 2gbs s LYS 7 Ca 0.10 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.36 2gbs s LYS 7 Cb -0.09 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2gbs s LYS 7 CO 0.01 -0.37 -0.18 0.45 -0.92 0.00 0.00 175.35 174.34 2gbs s SER 8 N 1.49 2.14 -0.07 2.83 0.15 -0.16 -4.82 113.70 115.28 2gbs s SER 8 Ca 0.03 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 2gbs s SER 8 Cb -0.16 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.95 2gbs s SER 8 CO 0.01 0.08 0.35 -1.61 1.20 0.00 0.00 173.24 173.27 2gbs s GLU 9 N -1.35 3.96 0.02 5.44 2.02 -1.26 -0.06 118.70 127.47 2gbs s GLU 9 Ca 0.04 0.26 0.11 0.00 0.02 0.00 0.00 54.97 55.41 2gbs s GLU 9 Cb -0.09 -3.28 0.46 0.00 0.10 0.00 0.00 34.13 31.32 2gbs s GLU 9 CO 0.02 0.55 1.34 -2.30 0.02 0.00 0.00 175.26 174.89 2gbs n PRO 10 N 2.43 0.01 0.26 0.39 -0.02 -1.23 -0.99 135.00 135.85 2gbs n PRO 10 Ca -0.14 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 2gbs n PRO 10 Cb 0.53 -1.52 0.68 0.00 -0.02 0.00 0.00 33.50 33.16 2gbs n PRO 10 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2gbs h SER 11 N 0.00 0.00 0.00 2.55 0.02 -1.92 -3.37 113.55 110.83 2gbs h SER 11 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2gbs h SER 11 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2gbs h SER 11 CO 0.00 0.13 -0.88 0.52 -1.14 0.00 0.00 176.83 175.46 2gbs n VAL 12 N -3.52 0.21 -4.13 2.27 0.31 -0.56 -5.07 118.33 107.84 2gbs n VAL 12 Ca -0.01 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.18 2gbs n VAL 12 Cb 0.28 -1.52 -0.16 0.00 -0.91 0.00 0.00 33.84 31.53 2gbs n VAL 12 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2gbs s TRP 13 N -2.01 0.64 0.49 3.52 -0.11 -0.16 -5.08 118.94 116.23 2gbs s TRP 13 Ca -0.01 -0.15 0.06 0.00 1.22 0.00 0.00 56.10 57.22 2gbs s TRP 13 Cb 0.00 -0.58 0.01 0.00 -1.50 0.00 0.00 33.47 31.41 2gbs s TRP 13 CO 0.01 -0.16 0.38 -1.54 -4.62 0.00 0.00 176.95 171.03 2gbs s SER 14 N 0.80 4.74 0.09 5.86 1.04 -1.26 -3.49 113.70 121.48 2gbs s SER 14 Ca -0.10 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.14 2gbs s SER 14 Cb -0.13 0.02 -0.18 0.00 0.10 0.00 0.00 66.02 65.82 2gbs s SER 14 CO -0.00 -0.91 1.25 -0.25 0.98 0.00 0.00 173.24 174.30 2gbs h TRP 15 N 0.90 1.00 -0.63 5.02 -0.00 -1.97 -3.20 115.95 117.06 2gbs h TRP 15 Ca -0.39 -0.51 0.11 0.00 -0.00 0.00 0.00 58.89 58.11 2gbs h TRP 15 Cb 1.29 -0.13 -0.08 0.00 -0.00 0.00 0.00 29.16 30.23 2gbs h TRP 15 CO 0.78 1.34 0.20 0.22 -0.00 0.00 0.00 178.44 180.98 2gbs h ASP 16 N 0.43 0.15 0.09 2.65 3.58 -1.99 0.56 116.42 121.89 2gbs h ASP 16 Ca -0.10 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2gbs h ASP 16 Cb 1.58 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.72 2gbs h ASP 16 CO 0.18 0.08 -0.20 1.56 -2.88 0.00 0.00 179.24 177.98 2gbs h GLN 17 N 0.36 0.22 0.05 0.28 4.20 -1.98 0.10 115.11 118.34 2gbs h GLN 17 Ca 0.33 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.74 2gbs h GLN 17 Cb 0.46 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2gbs h GLN 17 CO -0.36 0.42 -1.05 0.37 -0.67 0.00 0.00 178.83 177.54 2gbs h GLN 18 N 0.20 0.35 -0.68 1.46 -0.00 -1.22 -2.42 115.11 112.80 2gbs h GLN 18 Ca 0.04 -0.44 -0.08 0.00 -0.00 0.00 0.00 58.65 58.17 2gbs h GLN 18 Cb 0.48 0.14 -0.03 0.00 0.00 0.00 0.00 27.48 28.07 2gbs h GLN 18 CO 0.03 1.14 0.11 0.28 0.00 0.00 0.00 178.83 180.39 2gbs h VAL 19 N 0.17 1.27 0.00 2.39 2.07 -0.43 -1.57 116.25 120.15 2gbs h VAL 19 Ca -0.10 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 2gbs h VAL 19 Cb 1.71 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2gbs h VAL 19 CO 0.18 0.40 -0.08 0.00 0.02 0.00 0.00 177.57 178.08 2gbs h ALA 20 N 1.05 1.40 -0.62 1.67 0.00 -0.76 -0.37 119.26 121.64 2gbs h ALA 20 Ca 0.21 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2gbs h ALA 20 Cb 0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2gbs h ALA 20 CO 0.01 0.10 0.21 1.63 0.00 0.00 0.00 179.25 181.20 2gbs n LYS 21 N -3.77 3.06 0.25 0.00 5.02 -0.75 -4.66 118.16 117.31 2gbs n LYS 21 Ca -0.02 -3.06 0.08 0.00 -2.02 0.00 0.00 58.31 53.29 2gbs n LYS 21 Cb 0.18 -2.07 0.63 0.00 -0.02 0.00 0.00 35.03 33.75 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 2.01 0.00 0.08 0.72 0.00 -0.12 0.56 103.07 106.32 2gbs h GLY 22 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2gbs h GLY 22 CO 0.63 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 176.46 2gbs n ALA 23 N -2.51 4.08 -0.06 3.60 0.00 -1.26 -4.46 120.51 119.89 2gbs n ALA 23 Ca -0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 2gbs n ALA 23 Cb 0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs n ALA 24 N -1.14 2.12 0.00 0.00 0.00 -0.65 -5.14 120.51 115.69 2gbs n ALA 24 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2gbs n ALA 24 Cb 0.36 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2gbs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbs n GLY 25 N 2.39 -0.05 3.12 0.00 0.00 0.19 -4.95 105.19 105.90 2gbs n GLY 25 Ca -0.23 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2gbs n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gbs s GLU 26 N -2.72 0.32 0.03 1.61 2.12 -0.27 -4.93 118.70 114.87 2gbs s GLU 26 Ca 0.00 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.27 2gbs s GLU 26 Cb 0.00 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2gbs s GLU 26 CO 0.00 -0.05 0.83 0.00 -0.54 0.00 0.00 175.26 175.50 2gbs s ALA 27 N -0.15 3.30 -1.46 6.30 0.00 -1.26 -1.74 121.76 126.75 2gbs s ALA 27 Ca -0.03 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2gbs s ALA 27 Cb -0.03 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.03 2gbs s ALA 27 CO 0.01 -0.03 2.32 1.87 0.00 0.00 0.00 175.76 179.93 2gbs n TRP 28 N 3.16 3.20 -3.35 0.00 -0.00 0.81 -4.95 117.44 116.30 2gbs n TRP 28 Ca 0.00 -2.97 -0.32 0.00 -0.00 0.00 0.00 57.50 54.21 2gbs n TRP 28 Cb 0.50 -2.43 -0.06 0.00 -0.00 0.00 0.00 31.31 29.33 2gbs n TRP 28 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gbs s THR 29 N 2.41 4.87 0.00 5.87 -1.32 -1.26 -4.39 115.64 121.82 2gbs s THR 29 Ca 0.50 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.60 2gbs s THR 29 Cb 0.14 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2gbs s THR 29 CO -0.07 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 2gbs n GLY 30 N -0.09 1.38 3.42 6.08 0.00 -1.26 -5.06 105.19 109.66 2gbs n GLY 30 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2gbs n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gbs s VAL 31 N -2.00 4.78 -0.33 1.61 -7.23 -1.26 -4.87 120.40 111.10 2gbs s VAL 31 Ca 0.00 -0.68 0.23 0.00 -1.81 0.00 0.00 61.98 59.72 2gbs s VAL 31 Cb 0.00 -4.43 0.05 0.00 0.56 0.00 0.00 36.38 32.56 2gbs s VAL 31 CO 0.00 -1.03 1.16 0.03 -0.31 0.00 0.00 175.10 174.96 2gbs h ARG 32 N 9.15 0.00 -6.23 4.82 3.08 -1.99 -3.46 114.38 119.75 2gbs h ARG 32 Ca -0.28 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.21 2gbs h ARG 32 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2gbs h ARG 32 CO 1.05 0.00 1.03 -0.80 -1.07 0.00 0.00 179.97 180.18 2gbs s ASN 33 N -5.27 6.73 0.19 7.04 -0.87 -1.26 -4.89 114.94 116.61 2gbs s ASN 33 Ca 0.02 1.95 -0.00 0.00 -1.57 0.00 0.00 52.86 53.25 2gbs s ASN 33 Cb 0.10 -2.53 0.11 0.00 -0.02 0.00 0.00 41.25 38.90 2gbs s ASN 33 CO 0.76 -0.91 1.47 0.45 -2.57 0.00 0.00 177.10 176.30 2gbs h HIS 34 N 9.22 0.51 -0.40 2.20 3.86 -1.99 0.63 115.15 129.19 2gbs h HIS 34 Ca -0.34 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 58.57 2gbs h HIS 34 Cb 1.15 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 2gbs h HIS 34 CO 0.86 0.94 -0.11 0.77 0.86 0.00 0.00 177.93 181.26 2gbs h SER 35 N 0.28 0.68 0.08 2.45 0.02 -1.99 -0.62 113.55 114.45 2gbs h SER 35 Ca -0.02 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2gbs h SER 35 Cb 1.22 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2gbs h SER 35 CO 0.11 0.82 -0.04 0.00 -1.14 0.00 0.00 176.83 176.59 2gbs h ALA 36 N 1.24 -0.11 -0.68 3.77 0.00 -1.74 -2.66 119.26 119.08 2gbs h ALA 36 Ca 0.11 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2gbs h ALA 36 Cb 0.55 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 2gbs h ALA 36 CO 0.03 -0.38 0.12 -0.22 0.00 0.00 0.00 179.25 178.80 2gbs h LYS 37 N -0.47 0.22 -0.25 0.00 3.64 -0.73 0.14 116.57 119.11 2gbs h LYS 37 Ca -0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2gbs h LYS 37 Cb 0.40 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2gbs h LYS 37 CO 0.02 0.14 0.05 1.25 -2.27 0.00 0.00 179.45 178.64 2gbs h LEU 38 N 0.22 0.01 -0.42 5.20 6.46 -1.05 -0.85 115.31 124.89 2gbs h LEU 38 Ca 0.37 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 2gbs h LEU 38 Cb 0.61 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2gbs h LEU 38 CO -0.50 0.04 0.00 0.45 -0.62 0.00 0.00 178.44 177.81 2gbs h HIS 39 N 0.15 0.00 0.00 1.25 3.86 -0.94 -2.70 115.15 116.76 2gbs h HIS 39 Ca 0.12 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 2gbs h HIS 39 Cb 0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2gbs h HIS 39 CO -0.16 0.00 -0.57 0.52 0.86 0.00 0.00 177.93 178.58 2gbs h MET 40 N 0.00 0.00 0.00 2.45 2.86 0.12 -2.99 114.93 117.36 2gbs h MET 40 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2gbs h MET 40 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2gbs h MET 40 CO 0.00 0.56 -0.36 0.28 1.06 0.00 0.00 176.91 178.45 2gbs h VAL 41 N 0.00 1.11 0.00 -2.22 2.07 -0.85 -2.23 116.25 114.13 2gbs h VAL 41 Ca -0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2gbs h VAL 41 Cb 1.43 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2gbs h VAL 41 CO 0.07 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.02 2gbs n ALA 42 N -2.40 2.14 -2.55 1.67 0.00 -1.14 -4.72 120.51 113.52 2gbs n ALA 42 Ca -0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2gbs n ALA 42 Cb 0.43 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2gbs n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gbs s MET 43 N -3.06 4.23 0.17 0.00 -1.94 -0.84 -4.80 119.30 113.07 2gbs s MET 43 Ca 0.11 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.57 2gbs s MET 43 Cb 0.15 -3.71 0.00 0.00 2.01 0.00 0.00 34.83 33.28 2gbs s MET 43 CO 0.49 -0.69 0.02 0.54 -0.01 0.00 0.00 175.02 175.37 2gbs n ARG 44 N 6.50 1.53 -2.02 2.03 1.74 -1.26 -3.82 116.66 121.36 2gbs n ARG 44 Ca 0.13 -1.24 -0.42 0.00 -0.77 0.00 0.00 57.85 55.55 2gbs n ARG 44 Cb 0.46 0.30 -0.03 0.00 -1.02 0.00 0.00 32.46 32.17 2gbs n ARG 44 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2gbs s ARG 45 N -2.64 4.22 0.00 5.56 6.06 -1.26 -2.19 118.95 128.70 2gbs s ARG 45 Ca 0.02 2.21 0.00 0.00 -2.50 0.00 0.00 55.73 55.46 2gbs s ARG 45 Cb -0.00 -3.59 0.00 0.00 0.06 0.00 0.00 34.95 31.42 2gbs s ARG 45 CO 0.01 -0.68 0.00 0.41 -2.50 0.00 0.00 175.30 172.54 2gbs n GLY 46 N 3.88 1.36 3.76 8.12 0.00 -0.97 -4.72 105.19 116.62 2gbs n GLY 46 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2gbs n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbs s ASP 47 N -1.64 6.71 -0.01 1.61 1.11 -0.93 -4.79 116.67 118.72 2gbs s ASP 47 Ca 0.00 2.69 0.06 0.00 0.18 0.00 0.00 52.55 55.48 2gbs s ASP 47 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 2gbs s ASP 47 CO 0.00 -0.62 -0.18 -0.13 1.18 0.00 0.00 175.17 175.42 2gbs s ARG 48 N -1.22 1.51 0.19 8.23 0.52 -0.97 -0.28 118.95 126.94 2gbs s ARG 48 Ca 0.53 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 2gbs s ARG 48 Cb -0.41 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 2gbs s ARG 48 CO 0.49 0.40 -0.15 0.00 0.02 0.00 0.00 175.30 176.06 2gbs s ALA 49 N -0.42 1.95 -0.10 2.13 0.00 0.76 -0.49 121.76 125.60 2gbs s ALA 49 Ca 0.07 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.24 2gbs s ALA 49 Cb -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2gbs s ALA 49 CO -0.01 0.10 0.56 -0.06 0.00 0.00 0.00 175.76 176.36 2gbs s PHE 50 N -2.69 3.54 -0.77 0.00 0.08 0.15 -0.73 117.98 117.56 2gbs s PHE 50 Ca 0.20 1.02 -0.23 0.00 0.12 0.00 0.00 56.93 58.04 2gbs s PHE 50 Cb -0.02 -2.64 0.07 0.00 -0.57 0.00 0.00 43.02 39.86 2gbs s PHE 50 CO 0.06 0.14 1.11 -0.47 -0.10 0.00 0.00 175.22 175.96 2gbs s TYR 51 N 0.67 2.67 -0.18 0.36 5.04 0.36 -1.72 117.35 124.55 2gbs s TYR 51 Ca 0.30 -0.65 -0.06 0.00 -2.44 0.00 0.00 57.07 54.22 2gbs s TYR 51 Cb -0.16 -4.40 -0.03 0.00 0.35 0.00 0.00 41.96 37.72 2gbs s TYR 51 CO 0.13 -1.73 0.02 -0.47 -1.34 0.00 0.00 175.55 172.16 2gbs s TYR 52 N 4.21 3.12 -0.21 4.97 5.04 -0.72 -1.51 117.35 132.24 2gbs s TYR 52 Ca 0.29 -0.18 -0.21 0.00 -2.44 0.00 0.00 57.07 54.53 2gbs s TYR 52 Cb -0.11 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 2gbs s TYR 52 CO 0.05 -0.02 0.66 -1.01 -1.34 0.00 0.00 175.55 173.89 2gbs s HIS 53 N 0.58 3.35 0.28 4.97 3.76 -0.01 -0.99 115.29 127.22 2gbs s HIS 53 Ca 0.00 0.94 -0.07 0.00 -0.15 0.00 0.00 55.06 55.79 2gbs s HIS 53 Cb -0.14 -2.85 -0.06 0.00 1.11 0.00 0.00 32.58 30.65 2gbs s HIS 53 CO 0.02 -0.24 0.57 0.45 -0.85 0.00 0.00 174.74 174.69 2gbs s SER 54 N 1.28 6.50 0.00 1.40 0.15 0.91 -1.29 113.70 122.66 2gbs s SER 54 Ca 0.29 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2gbs s SER 54 Cb -0.16 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2gbs s SER 54 CO 0.10 -0.17 0.00 -3.20 1.20 0.00 0.00 173.24 171.16 2gbs n ASN 55 N -0.72 0.00 -4.60 5.45 5.15 -1.26 -4.35 115.26 114.93 2gbs n ASN 55 Ca -0.01 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.56 2gbs n ASN 55 Cb 0.53 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2gbs s GLU 56 N 0.00 3.92 0.00 1.20 2.56 -1.26 -4.41 118.70 120.71 2gbs s GLU 56 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.31 2gbs s GLU 56 Cb 0.00 -3.72 0.00 0.00 2.00 0.00 0.00 34.13 32.41 2gbs s GLU 56 CO 0.00 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.55 2gbs n GLY 57 N 4.39 2.41 3.52 -1.50 0.00 -1.26 -4.66 105.19 108.09 2gbs n GLY 57 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2gbs n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 58 N 0.00 -3.92 -3.89 1.61 5.02 -0.41 -4.78 118.16 111.79 2gbs n LYS 58 Ca 0.00 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.89 2gbs n LYS 58 Cb 0.00 -5.31 -0.11 0.00 -0.02 0.00 0.00 35.03 29.58 2gbs n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gbs s GLU 59 N -5.43 0.29 -0.34 1.97 -1.05 -1.16 -0.89 118.70 112.08 2gbs s GLU 59 Ca 0.20 -0.28 -0.20 0.00 -0.15 0.00 0.00 54.97 54.54 2gbs s GLU 59 Cb -0.04 0.12 -0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2gbs s GLU 59 CO 0.78 -0.06 0.61 0.42 0.95 0.00 0.00 175.26 177.97 2gbs s ILE 60 N -0.90 4.92 -0.28 1.83 1.01 0.13 -0.83 121.20 127.08 2gbs s ILE 60 Ca -0.10 0.59 0.14 0.00 0.00 0.00 0.00 60.65 61.28 2gbs s ILE 60 Cb -0.06 -4.04 -0.19 0.00 0.01 0.00 0.00 42.46 38.18 2gbs s ILE 60 CO 0.00 -0.26 0.42 1.33 0.00 0.00 0.00 174.94 176.43 2gbs n VAL 61 N 5.52 0.00 -3.83 2.92 0.24 -0.57 -0.84 118.33 121.77 2gbs n VAL 61 Ca -0.02 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.97 2gbs n VAL 61 Cb 0.49 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.39 2gbs n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2gbs s GLY 62 N -3.04 0.06 -0.13 7.63 0.00 -1.25 -1.64 107.32 108.96 2gbs s GLY 62 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.42 2gbs s GLY 62 CO 0.57 0.94 -0.19 -0.42 0.00 0.00 0.00 173.10 174.00 2gbs s ILE 63 N -2.64 2.43 0.10 0.90 1.01 0.40 -0.49 121.20 122.91 2gbs s ILE 63 Ca 0.17 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2gbs s ILE 63 Cb -0.03 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2gbs s ILE 63 CO 0.06 0.54 -0.07 0.00 0.00 0.00 0.00 174.94 175.47 2gbs s ALA 64 N 0.54 3.07 -0.03 9.38 0.00 0.09 -1.67 121.76 133.15 2gbs s ALA 64 Ca -0.12 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.70 2gbs s ALA 64 Cb -0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2gbs s ALA 64 CO 0.04 0.66 -0.20 -2.00 0.00 0.00 0.00 175.76 174.26 2gbs s GLU 65 N -2.25 1.78 -0.53 0.00 2.12 -0.92 -0.17 118.70 118.74 2gbs s GLU 65 Ca 0.23 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.56 2gbs s GLU 65 Cb -0.11 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.61 2gbs s GLU 65 CO 0.15 0.39 1.71 0.42 -0.54 0.00 0.00 175.26 177.39 2gbs s ILE 66 N -0.33 3.51 -0.87 -3.70 -1.09 0.62 -2.18 121.20 117.16 2gbs s ILE 66 Ca 0.04 0.41 0.22 0.00 -2.23 0.00 0.00 60.65 59.09 2gbs s ILE 66 Cb -0.09 -4.03 -0.20 0.00 -1.58 0.00 0.00 42.46 36.56 2gbs s ILE 66 CO 0.00 -0.88 0.93 2.30 -1.23 0.00 0.00 174.94 176.07 2gbs n ILE 67 N 7.15 0.02 -3.70 2.92 -5.35 -0.60 -2.28 119.36 117.51 2gbs n ILE 67 Ca 0.18 -0.07 -0.23 0.00 -0.27 0.00 0.00 62.75 62.36 2gbs n ILE 67 Cb 0.50 0.74 -0.17 0.00 -1.74 0.00 0.00 39.64 38.96 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2gbs s ARG 68 N -3.07 0.26 1.06 6.28 0.52 -1.11 -5.01 118.95 117.89 2gbs s ARG 68 Ca 0.06 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.27 2gbs s ARG 68 Cb 0.16 -1.08 0.23 0.00 0.52 0.00 0.00 34.95 34.77 2gbs s ARG 68 CO 0.85 -0.42 1.07 -1.21 0.02 0.00 0.00 175.30 175.61 2gbs s GLU 69 N 2.06 -0.10 -0.28 3.54 2.02 -1.26 -1.86 118.70 122.82 2gbs s GLU 69 Ca 0.04 0.71 -0.34 0.00 0.02 0.00 0.00 54.97 55.39 2gbs s GLU 69 Cb -0.13 -1.66 -0.11 0.00 0.10 0.00 0.00 34.13 32.33 2gbs s GLU 69 CO -0.05 -3.14 2.11 0.00 0.02 0.00 0.00 175.26 174.20 2gbs n ALA 70 N -4.49 1.07 -2.53 5.21 0.00 -1.25 -4.68 120.51 113.84 2gbs n ALA 70 Ca 0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 2gbs n ALA 70 Cb 0.56 -2.58 -0.11 0.00 0.00 0.00 0.00 19.45 17.32 2gbs n ALA 70 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2gbs s TYR 71 N 6.67 1.15 0.13 0.00 1.13 0.00 -4.86 117.35 121.57 2gbs s TYR 71 Ca 1.05 -0.60 -0.35 0.00 -1.41 0.00 0.00 57.07 55.75 2gbs s TYR 71 Cb -0.76 -0.62 -0.16 0.00 -1.10 0.00 0.00 41.96 39.32 2gbs s TYR 71 CO 0.48 0.04 1.38 -0.35 -2.51 0.00 0.00 175.55 174.60 2gbs n PRO 72 N 0.67 1.46 -1.59 -3.49 -0.04 -1.26 0.02 135.00 130.77 2gbs n PRO 72 Ca -0.17 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 2gbs n PRO 72 Cb 0.57 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 2gbs n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gbs n ASP 73 N 2.66 1.11 0.14 3.54 9.92 -1.03 -4.74 116.55 128.14 2gbs n ASP 73 Ca 0.17 1.05 0.10 0.00 -0.53 0.00 0.00 54.79 55.58 2gbs n ASP 73 Cb 0.23 -1.32 0.51 0.00 -0.64 0.00 0.00 41.12 39.90 2gbs n ASP 73 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2gbs n PRO 74 N 0.30 0.13 -0.12 -0.24 -0.02 -1.26 -0.44 135.00 133.35 2gbs n PRO 74 Ca 0.10 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 2gbs n PRO 74 Cb 0.38 -1.89 0.17 0.00 -0.02 0.00 0.00 33.50 32.14 2gbs n PRO 74 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2gbs n THR 75 N -2.16 0.31 -4.26 3.45 5.66 -1.26 -4.92 114.28 111.10 2gbs n THR 75 Ca -0.01 -0.65 -0.20 0.00 -3.05 0.00 0.00 64.05 60.14 2gbs n THR 75 Cb 0.05 1.18 -0.12 0.00 -1.55 0.00 0.00 70.33 69.89 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2gbs s ASP 76 N -1.69 1.89 -0.06 1.09 2.15 0.41 -5.07 116.67 115.39 2gbs s ASP 76 Ca 0.35 -0.59 -0.01 0.00 0.43 0.00 0.00 52.55 52.72 2gbs s ASP 76 Cb 0.22 -0.09 -0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2gbs s ASP 76 CO 0.31 -0.01 -0.03 0.00 -0.17 0.00 0.00 175.17 175.27 2gbs h ALA 77 N 4.41 0.00 0.00 3.66 0.00 -1.92 -3.41 119.26 122.01 2gbs h ALA 77 Ca -0.41 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2gbs h ALA 77 Cb 1.18 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2gbs h ALA 77 CO 0.41 0.08 -0.21 0.43 0.00 0.00 0.00 179.25 179.96 2gbs n SER 78 N -3.63 -0.73 0.08 0.00 7.64 -1.26 -4.90 113.62 110.81 2gbs n SER 78 Ca -0.01 -1.44 -0.13 0.00 1.01 0.00 0.00 58.87 58.29 2gbs n SER 78 Cb 0.04 0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.39 2gbs n SER 78 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2gbs h GLY 79 N 0.04 -0.18 0.00 0.23 0.00 -1.99 -3.45 103.07 97.72 2gbs h GLY 79 Ca -0.40 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2gbs h GLY 79 CO -0.20 -0.07 0.00 0.28 0.00 0.00 0.00 176.54 176.55 2gbs n LYS 80 N -5.06 0.00 -3.29 4.80 4.76 -1.26 -5.15 118.16 112.96 2gbs n LYS 80 Ca -0.09 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.97 2gbs n LYS 80 Cb 0.18 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.32 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2gbs s PHE 81 N -0.29 3.73 -0.03 2.13 0.08 -1.26 -5.05 117.98 117.28 2gbs s PHE 81 Ca 0.00 1.17 -0.01 0.00 0.12 0.00 0.00 56.93 58.21 2gbs s PHE 81 Cb 0.00 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2gbs s PHE 81 CO 0.00 0.48 0.04 0.14 -0.10 0.00 0.00 175.22 175.78 2gbs s VAL 82 N -0.65 -0.07 0.27 -0.44 -7.23 -1.26 -2.45 120.40 108.56 2gbs s VAL 82 Ca 0.28 0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.81 2gbs s VAL 82 Cb -0.18 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 2gbs s VAL 82 CO 0.17 0.11 -0.12 0.00 -0.31 0.00 0.00 175.10 174.95 2gbs s VAL 84 N -2.84 3.26 -0.08 0.00 -7.23 -1.26 -0.82 120.40 111.44 2gbs s VAL 84 Ca 0.28 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2gbs s VAL 84 Cb 0.00 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2gbs s VAL 84 CO 0.12 -0.17 -0.17 -0.62 -0.31 0.00 0.00 175.10 173.95 2gbs s ASP 85 N -3.03 3.75 0.12 4.85 2.15 -0.78 -0.14 116.67 123.59 2gbs s ASP 85 Ca 0.27 -0.33 0.07 0.00 0.43 0.00 0.00 52.55 52.99 2gbs s ASP 85 Cb -0.08 -1.08 -0.04 0.00 -0.30 0.00 0.00 42.92 41.42 2gbs s ASP 85 CO 0.16 0.26 -0.17 0.27 -0.17 0.00 0.00 175.17 175.53 2gbs s ILE 86 N -0.24 1.49 -0.03 4.11 -4.36 -0.71 -1.56 121.20 119.90 2gbs s ILE 86 Ca 0.00 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.83 2gbs s ILE 86 Cb -0.13 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.04 2gbs s ILE 86 CO 0.03 -0.27 -0.25 -1.59 0.24 0.00 0.00 174.94 173.10 2gbs s LYS 87 N -2.33 2.20 -0.53 0.37 -2.85 -0.92 -1.11 119.74 114.56 2gbs s LYS 87 Ca 0.08 -0.92 -0.26 0.00 -1.00 0.00 0.00 55.97 53.87 2gbs s LYS 87 Cb -0.07 -2.07 -0.05 0.00 -2.06 0.00 0.00 37.83 33.57 2gbs s LYS 87 CO 0.04 0.53 2.24 0.00 0.10 0.00 0.00 175.35 178.26 2gbs s ALA 88 N -0.54 1.80 -0.12 0.59 0.00 -1.25 -2.16 121.76 120.08 2gbs s ALA 88 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 2gbs s ALA 88 Cb -0.11 -4.33 -0.12 0.00 0.00 0.00 0.00 23.12 18.56 2gbs s ALA 88 CO -0.00 -4.29 0.35 0.22 0.00 0.00 0.00 175.76 172.04 2gbs h ASP 89 N 18.14 0.00 -3.91 0.00 3.58 -1.64 -3.42 116.42 129.17 2gbs h ASP 89 Ca -0.25 -0.47 -0.11 0.00 0.42 0.00 0.00 57.03 56.63 2gbs h ASP 89 Cb 1.23 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.05 2gbs h ASP 89 CO 1.18 0.75 -0.18 -1.59 -2.88 0.00 0.00 179.24 176.52 2gbs s LYS 90 N -1.89 0.53 0.70 0.28 -2.85 -1.19 -5.04 119.74 110.28 2gbs s LYS 90 Ca -0.10 0.63 -0.08 0.00 -1.00 0.00 0.00 55.97 55.42 2gbs s LYS 90 Cb -0.01 0.26 0.05 0.00 -2.06 0.00 0.00 37.83 36.07 2gbs s LYS 90 CO 0.33 -0.06 1.03 -1.25 0.10 0.00 0.00 175.35 175.50 2gbs s PRO 91 N 0.23 2.39 0.15 1.78 0.04 -1.26 -0.46 135.00 137.87 2gbs s PRO 91 Ca -0.00 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.89 2gbs s PRO 91 Cb -0.03 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 2gbs s PRO 91 CO 0.01 -1.16 0.49 -0.51 0.04 0.00 0.00 177.00 175.86 2gbs s LEU 92 N -5.26 4.29 0.37 -3.56 1.43 -0.65 -4.81 118.68 110.48 2gbs s LEU 92 Ca 0.59 0.89 0.24 0.00 -1.03 0.00 0.00 54.13 54.82 2gbs s LEU 92 Cb -0.11 -3.30 0.47 0.00 0.03 0.00 0.00 46.19 43.27 2gbs s LEU 92 CO 0.46 0.07 1.64 0.11 0.23 0.00 0.00 176.35 178.86 2gbs h LYS 93 N 3.24 0.00 -3.82 1.70 1.79 -1.40 -3.41 116.57 114.67 2gbs h LYS 93 Ca -0.48 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.44 2gbs h LYS 93 Cb 1.18 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.44 2gbs h LYS 93 CO 0.68 0.00 -0.77 0.99 -1.08 0.00 0.00 179.45 179.27 2gbs s THR 94 N -3.18 0.89 -0.11 -0.16 2.01 0.19 -4.91 115.64 110.37 2gbs s THR 94 Ca 0.08 -0.83 -0.32 0.00 0.31 0.00 0.00 61.69 60.93 2gbs s THR 94 Cb 0.07 -1.33 -0.09 0.00 0.01 0.00 0.00 72.50 71.16 2gbs s THR 94 CO 0.65 -0.19 2.02 -2.65 -0.69 0.00 0.00 174.62 173.76 2gbs n PRO 95 N 4.91 2.21 -2.66 4.92 -0.02 -1.26 -4.46 135.00 138.63 2gbs n PRO 95 Ca -0.10 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2gbs n PRO 95 Cb 0.46 -2.87 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 2gbs n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gbs s VAL 96 N 5.54 4.13 0.79 -1.45 1.01 -0.02 -4.78 120.40 125.62 2gbs s VAL 96 Ca 0.95 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2gbs s VAL 96 Cb -0.55 -4.97 0.06 0.00 0.00 0.00 0.00 36.38 30.91 2gbs s VAL 96 CO 0.45 -1.81 1.08 0.42 0.00 0.00 0.00 175.10 175.24 2gbs s THR 97 N 4.39 3.31 0.37 3.92 -4.23 -1.26 0.21 115.64 122.34 2gbs s THR 97 Ca 0.42 0.42 0.08 0.00 -1.18 0.00 0.00 61.69 61.43 2gbs s THR 97 Cb -0.02 -3.03 0.31 0.00 1.34 0.00 0.00 72.50 71.10 2gbs s THR 97 CO -0.09 -0.55 1.92 0.25 -0.54 0.00 0.00 174.62 175.61 2gbs h LEU 98 N -1.11 0.63 -0.97 4.79 5.85 -1.32 -0.38 115.31 122.80 2gbs h LEU 98 Ca -0.46 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2gbs h LEU 98 Cb 1.25 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2gbs h LEU 98 CO 0.55 0.37 0.63 0.00 -0.34 0.00 0.00 178.44 179.66 2gbs h ALA 99 N 1.61 1.29 -0.21 1.25 0.00 -1.92 -0.35 119.26 120.92 2gbs h ALA 99 Ca 0.37 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2gbs h ALA 99 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2gbs h ALA 99 CO -0.14 0.52 -0.33 0.00 0.00 0.00 0.00 179.25 179.30 2gbs h ALA 100 N 1.40 1.04 -0.60 0.00 0.00 -1.45 -2.19 119.26 117.46 2gbs h ALA 100 Ca 0.39 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2gbs h ALA 100 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2gbs h ALA 100 CO -0.12 0.59 0.05 0.28 0.00 0.00 0.00 179.25 180.04 2gbs h VAL 101 N 0.38 1.26 0.00 0.00 2.07 -0.49 -2.41 116.25 117.06 2gbs h VAL 101 Ca 0.05 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2gbs h VAL 101 Cb 0.76 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2gbs h VAL 101 CO 0.06 0.39 0.00 0.29 0.02 0.00 0.00 177.57 178.33 2gbs n LYS 102 N -4.20 0.17 0.00 1.57 5.02 -0.24 -2.26 118.16 118.22 2gbs n LYS 102 Ca 0.04 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 2gbs n LYS 102 Cb 0.31 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.42 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs n ALA 103 N -1.40 2.76 -4.06 7.82 0.00 -0.85 -4.66 120.51 120.11 2gbs n ALA 103 Ca 0.09 -0.26 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 2gbs n ALA 103 Cb 0.27 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2gbs n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gbs s GLU 104 N -2.50 2.34 0.31 0.00 2.56 -0.96 -5.01 118.70 115.44 2gbs s GLU 104 Ca 0.28 -1.16 0.07 0.00 0.00 0.00 0.00 54.97 54.16 2gbs s GLU 104 Cb 0.20 -2.75 0.81 0.00 2.00 0.00 0.00 34.13 34.39 2gbs s GLU 104 CO 0.48 -0.48 1.74 -1.35 -0.56 0.00 0.00 175.26 175.09 2gbs h PRO 105 N 7.84 0.60 0.00 4.30 0.11 -1.83 0.41 132.00 143.43 2gbs h PRO 105 Ca -0.26 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2gbs h PRO 105 Cb 1.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2gbs h PRO 105 CO 0.50 0.39 -0.17 0.00 -0.21 0.00 0.00 178.00 178.51 2gbs h ARG 106 N 0.61 0.00 0.00 1.05 3.08 -1.95 -3.14 114.38 114.04 2gbs h ARG 106 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 2gbs h ARG 106 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2gbs h ARG 106 CO -0.45 0.17 -1.34 1.28 -1.07 0.00 0.00 179.97 178.56 2gbs n LEU 107 N -3.26 0.49 0.23 3.04 4.77 0.04 -3.90 117.00 118.41 2gbs n LEU 107 Ca 0.01 0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2gbs n LEU 107 Cb 0.45 -0.05 0.50 0.00 -2.33 0.00 0.00 43.42 41.98 2gbs n LEU 107 CO 0.33 -0.01 0.83 0.00 -1.33 0.00 0.00 177.39 177.20 2gbs h ALA 108 N 2.27 1.04 -0.01 -1.18 0.00 -1.24 -2.26 119.26 117.88 2gbs h ALA 108 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gbs h ALA 108 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2gbs h ALA 108 CO 0.00 0.25 -0.34 -3.47 0.00 0.00 0.00 179.25 175.70 2gbs n ASP 109 N -3.39 1.00 -4.78 0.00 2.03 -1.25 -4.70 116.55 105.46 2gbs n ASP 109 Ca -0.00 -0.82 -0.35 0.00 0.52 0.00 0.00 54.79 54.15 2gbs n ASP 109 Cb 0.41 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2gbs s MET 110 N -2.61 3.32 0.53 -0.67 1.75 -0.85 -4.91 119.30 115.87 2gbs s MET 110 Ca 0.21 1.55 0.26 0.00 -1.25 0.00 0.00 55.69 56.46 2gbs s MET 110 Cb 0.19 -2.01 1.40 0.00 2.84 0.00 0.00 34.83 37.26 2gbs s MET 110 CO 0.57 -0.86 1.99 0.00 -0.65 0.00 0.00 175.02 176.06 2gbs h ALA 111 N 1.06 2.54 -0.61 4.11 0.00 -1.91 -1.44 119.26 123.00 2gbs h ALA 111 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2gbs h ALA 111 Cb 1.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2gbs h ALA 111 CO 0.57 -0.70 0.37 1.25 0.00 0.00 0.00 179.25 180.74 2gbs h LEU 112 N 0.00 0.72 0.00 0.00 5.85 -1.88 0.45 115.31 120.45 2gbs h LEU 112 Ca 0.27 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2gbs h LEU 112 Cb 1.08 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2gbs h LEU 112 CO -0.00 0.55 -0.31 -0.03 -0.34 0.00 0.00 178.44 178.31 2gbs h MET 113 N 0.83 0.00 0.00 1.25 4.05 -1.50 -3.38 114.93 116.18 2gbs h MET 113 Ca 0.22 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.37 2gbs h MET 113 Cb -0.04 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 2gbs h MET 113 CO -0.04 0.00 -1.91 1.63 0.23 0.00 0.00 176.91 176.81 2gbs n LYS 114 N -2.23 0.35 -3.36 0.39 5.02 -0.82 -4.91 118.16 112.60 2gbs n LYS 114 Ca 0.04 0.14 -0.45 0.00 -2.02 0.00 0.00 58.31 56.03 2gbs n LYS 114 Cb 0.44 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2gbs s TYR 115 N -2.30 3.23 -0.01 2.13 1.51 0.15 -4.87 117.35 117.20 2gbs s TYR 115 Ca -0.23 -0.96 0.10 0.00 -1.01 0.00 0.00 57.07 54.97 2gbs s TYR 115 Cb 0.08 -3.30 -0.23 0.00 -0.11 0.00 0.00 41.96 38.40 2gbs s TYR 115 CO 0.30 -0.85 0.78 0.77 -1.11 0.00 0.00 175.55 175.44 2gbs h SER 116 N 8.80 0.04 -0.28 2.29 0.02 -1.83 -3.35 113.55 119.24 2gbs h SER 116 Ca -0.29 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 2gbs h SER 116 Cb 1.11 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2gbs h SER 116 CO 0.91 1.06 -0.21 0.03 -1.14 0.00 0.00 176.83 177.49 2gbs h ARG 117 N 0.01 0.74 -6.14 3.45 3.08 -1.97 -3.39 114.38 110.16 2gbs h ARG 117 Ca -0.23 -0.29 -0.52 0.00 0.07 0.00 0.00 59.98 59.01 2gbs h ARG 117 Cb 1.97 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.90 2gbs h ARG 117 CO 0.09 0.89 1.20 -1.17 -1.07 0.00 0.00 179.97 179.91 2gbs s LEU 118 N -8.90 3.28 -0.01 3.04 2.96 -1.26 -4.85 118.68 112.95 2gbs s LEU 118 Ca -0.09 -0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 52.95 2gbs s LEU 118 Cb 0.13 -2.56 -0.17 0.00 0.50 0.00 0.00 46.19 44.10 2gbs s LEU 118 CO 0.83 -1.95 1.15 -1.28 -1.32 0.00 0.00 176.35 173.78 2gbs h SER 119 N 10.99 -0.28 -3.56 3.68 0.87 -1.87 -3.42 113.55 119.97 2gbs h SER 119 Ca -0.09 -0.24 -0.62 0.00 -1.23 0.00 0.00 61.79 59.61 2gbs h SER 119 Cb 1.05 0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.96 2gbs h SER 119 CO 1.30 0.14 0.32 -0.69 -0.53 0.00 0.00 176.83 177.38 2gbs s VAL 120 N -4.33 4.75 0.02 2.23 1.01 -1.25 -3.26 120.40 119.57 2gbs s VAL 120 Ca -0.14 0.72 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2gbs s VAL 120 Cb 0.02 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2gbs s VAL 120 CO 0.54 -0.47 -0.20 -1.10 0.00 0.00 0.00 175.10 173.86 2gbs s GLN 121 N 3.06 1.47 -0.33 2.72 -0.21 -0.38 -4.75 119.66 121.24 2gbs s GLN 121 Ca 0.30 -0.86 -0.23 0.00 0.02 0.00 0.00 55.36 54.59 2gbs s GLN 121 Cb -0.13 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.35 2gbs s GLN 121 CO 0.18 0.40 0.75 -1.25 -2.12 0.00 0.00 175.29 173.25 2gbs s PRO 122 N -0.93 3.85 -0.19 2.91 0.05 -1.26 -0.94 135.00 138.49 2gbs s PRO 122 Ca 0.08 0.40 -0.09 0.00 0.05 0.00 0.00 61.00 61.43 2gbs s PRO 122 Cb -0.08 -3.77 -0.05 0.00 0.05 0.00 0.00 34.50 30.65 2gbs s PRO 122 CO 0.01 -0.74 0.13 0.08 0.05 0.00 0.00 177.00 176.53 2gbs s VAL 123 N 2.95 5.40 0.87 -0.36 1.01 0.55 -4.98 120.40 125.85 2gbs s VAL 123 Ca 0.30 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2gbs s VAL 123 Cb -0.14 -3.45 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2gbs s VAL 123 CO 0.14 0.46 1.15 0.42 0.00 0.00 0.00 175.10 177.28 2gbs s THR 124 N 0.18 2.07 0.10 3.92 -4.23 -1.26 -3.85 115.64 112.57 2gbs s THR 124 Ca 0.09 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 2gbs s THR 124 Cb -0.11 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.76 2gbs s THR 124 CO -0.01 -0.03 1.62 0.00 -0.54 0.00 0.00 174.62 175.66 2gbs h ALA 125 N -1.34 -0.64 -0.03 3.99 0.00 -1.98 -0.20 119.26 119.06 2gbs h ALA 125 Ca -0.49 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2gbs h ALA 125 Cb 1.33 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2gbs h ALA 125 CO 0.63 -0.90 -0.46 0.93 0.00 0.00 0.00 179.25 179.44 2gbs h GLU 126 N -0.63 0.06 0.12 0.00 4.39 -1.98 0.16 114.58 116.71 2gbs h GLU 126 Ca -0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2gbs h GLU 126 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2gbs h GLU 126 CO -0.10 0.52 -0.06 0.93 -1.16 0.00 0.00 179.01 179.14 2gbs h GLU 127 N 0.05 -0.16 0.01 2.33 5.08 -1.87 0.34 114.58 120.36 2gbs h GLU 127 Ca 0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2gbs h GLU 127 Cb 0.84 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2gbs h GLU 127 CO 0.06 0.05 -0.15 2.35 -1.00 0.00 0.00 179.01 180.33 2gbs h TRP 128 N -0.36 -0.39 -0.84 4.33 2.91 -0.66 -1.65 115.95 119.28 2gbs h TRP 128 Ca -0.02 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 2gbs h TRP 128 Cb 0.29 0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.07 2gbs h TRP 128 CO -0.01 -0.22 0.44 0.87 -1.03 0.00 0.00 178.44 178.49 2gbs h LYS 129 N -0.26 1.19 -0.50 2.65 1.79 -0.68 0.24 116.57 121.01 2gbs h LYS 129 Ca 0.05 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2gbs h LYS 129 Cb 0.32 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2gbs h LYS 129 CO -0.14 0.88 0.14 1.25 -1.08 0.00 0.00 179.45 180.51 2gbs h LEU 130 N 1.19 0.74 -0.24 2.94 5.85 -0.68 -1.14 115.31 123.97 2gbs h LEU 130 Ca 0.29 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 2gbs h LEU 130 Cb 0.06 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2gbs h LEU 130 CO -0.04 0.77 -0.36 0.58 -0.34 0.00 0.00 178.44 179.04 2gbs h VAL 131 N 0.68 1.31 -0.52 1.05 2.07 -0.81 -1.31 116.25 118.73 2gbs h VAL 131 Ca 0.16 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2gbs h VAL 131 Cb 0.30 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2gbs h VAL 131 CO -0.00 0.49 0.29 0.00 0.02 0.00 0.00 177.57 178.37 2gbs h LYS 133 N 0.70 0.00 0.00 0.00 3.64 -1.23 -1.74 116.57 117.94 2gbs h LYS 133 Ca 0.18 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2gbs h LYS 133 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2gbs h LYS 133 CO -0.03 0.40 -0.25 1.98 -2.27 0.00 0.00 179.45 179.28 2gbs h MET 134 N 0.00 0.00 -0.82 1.90 4.05 -0.22 -3.06 114.93 116.78 2gbs h MET 134 Ca -0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2gbs h MET 134 Cb 0.79 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2gbs h MET 134 CO 0.05 0.25 0.03 0.41 0.23 0.00 0.00 176.91 177.88 2gbs n GLY 135 N 0.58 2.31 0.37 1.39 0.00 0.31 -4.81 105.19 105.33 2gbs n GLY 135 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2gbs n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbs n GLY 136 N 0.24 0.82 3.18 -0.02 0.00 -1.16 -0.64 105.19 107.62 2gbs n GLY 136 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 2gbs n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gbs n LEU 137 N 0.00 5.93 -0.48 0.99 4.32 -0.98 -4.22 117.00 122.56 2gbs n LEU 137 Ca 0.00 -4.79 0.00 0.00 -0.02 0.00 0.00 56.01 51.20 2gbs n LEU 137 Cb 0.00 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.32 2gbs n LEU 137 CO 0.00 1.23 0.24 0.00 -1.22 0.00 0.00 177.39 177.65 2gbs n LEU 138 N 3.65 0.00 -4.96 2.23 -0.00 -1.26 -4.04 117.00 112.61 2gbs n LEU 138 Ca 0.33 -0.97 -0.24 0.00 -0.00 0.00 0.00 56.01 55.13 2gbs n LEU 138 Cb 0.38 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.88 2gbs n LEU 138 CO 0.67 0.74 0.54 -1.83 -0.00 0.00 0.00 177.39 177.51 2gbs s GLU 139 N 0.00 1.99 -0.21 1.47 4.04 -1.26 -5.02 118.70 119.71 2gbs s GLU 139 Ca 0.00 -0.73 -0.29 0.00 0.04 0.00 0.00 54.97 53.99 2gbs s GLU 139 Cb 0.00 -2.29 -0.00 0.00 0.02 0.00 0.00 34.13 31.85 2gbs s GLU 139 CO 0.00 -1.25 1.19 -1.58 -1.84 0.00 0.00 175.26 171.77 2gbs s HIS 140 N -3.12 3.00 -0.12 4.83 5.65 -1.26 -5.01 115.29 119.26 2gbs s HIS 140 Ca 0.63 1.14 -0.09 0.00 0.25 0.00 0.00 55.06 56.99 2gbs s HIS 140 Cb -0.08 -3.49 0.04 0.00 -1.18 0.00 0.00 32.58 27.87 2gbs s HIS 140 CO 0.43 -1.28 0.31 -3.38 -0.65 0.00 0.00 174.74 170.18 2gbs s HIS 141 N 3.51 -0.39 -0.92 3.88 -3.43 -1.26 -5.10 115.29 111.59 2gbs s HIS 141 Ca 0.51 0.91 -0.24 0.00 -0.80 0.00 0.00 55.06 55.44 2gbs s HIS 141 Cb -0.18 0.13 0.04 0.00 -1.43 0.00 0.00 32.58 31.13 2gbs s HIS 141 CO 0.13 -0.22 1.44 -1.01 -2.00 0.00 0.00 174.74 173.08 2gbs s HIS 142 N 0.70 2.39 0.06 0.38 3.76 -1.26 -4.95 115.29 116.37 2gbs s HIS 142 Ca -0.04 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 2gbs s HIS 142 Cb -0.06 -4.62 -0.03 0.00 1.11 0.00 0.00 32.58 28.98 2gbs s HIS 142 CO -0.05 -1.98 -0.08 -1.01 -0.85 0.00 0.00 174.74 170.77 2gbs s HIS 143 N 5.62 0.79 -0.18 1.40 3.76 -1.26 -5.09 115.29 120.33 2gbs s HIS 143 Ca 0.45 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 2gbs s HIS 143 Cb -0.03 -0.46 -0.06 0.00 1.11 0.00 0.00 32.58 33.13 2gbs s HIS 143 CO -0.01 -0.09 -0.29 0.72 -0.85 0.00 0.00 174.74 174.23 2gbs n HIS 144 N 0.99 0.28 -1.52 1.40 8.25 -1.26 -5.29 115.22 118.06 2gbs n HIS 144 Ca -0.19 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2gbs n HIS 144 Cb 0.56 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56