#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l n PRO 2 N 0.00 1.80 -0.02 1.61 -0.04 -1.26 -4.41 135.00 132.67 1g9l n PRO 2 Ca 0.00 -0.85 -0.01 0.00 -0.04 0.00 0.00 63.50 62.61 1g9l n PRO 2 Cb 0.00 -1.78 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1g9l n PRO 2 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1g9l h LEU 3 N 4.49 0.00 0.03 1.53 3.38 -2.06 -3.44 115.31 119.25 1g9l h LEU 3 Ca 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 1g9l h LEU 3 Cb 1.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1g9l h LEU 3 CO 0.21 0.25 -2.21 0.61 0.09 0.00 0.00 178.44 177.40 1g9l n GLY 4 N 1.81 -0.65 3.44 0.83 0.00 -1.26 -4.69 105.19 104.66 1g9l n GLY 4 Ca -0.01 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 1g9l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g9l s SER 5 N -6.37 6.92 -0.58 1.61 0.01 -1.26 -4.97 113.70 109.05 1g9l s SER 5 Ca -0.21 -2.70 -0.19 0.00 1.31 0.00 0.00 55.95 54.16 1g9l s SER 5 Cb 0.08 -2.37 0.10 0.00 0.21 0.00 0.00 66.02 64.04 1g9l s SER 5 CO 0.73 -0.80 0.68 0.00 0.41 0.00 0.00 173.24 174.26 1g9l s ALA 6 N 1.62 3.43 -1.12 1.44 0.00 -1.26 -4.66 121.76 121.21 1g9l s ALA 6 Ca 0.36 -2.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.05 1g9l s ALA 6 Cb -0.05 -3.49 0.28 0.00 0.00 0.00 0.00 23.12 19.87 1g9l s ALA 6 CO -0.05 -2.30 1.56 0.00 0.00 0.00 0.00 175.76 174.98 1g9l n ALA 7 N 6.22 5.24 -0.89 0.00 0.00 -1.26 -5.01 120.51 124.81 1g9l n ALA 7 Ca -0.10 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.62 1g9l n ALA 7 Cb 0.42 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N 1.76 0.00 -2.19 0.00 0.00 -1.26 -4.50 120.51 114.32 1g9l n ALA 8 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 1g9l n ALA 8 Cb 0.34 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.87 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N 0.33 3.49 -3.43 0.00 0.00 -1.26 -5.04 120.51 114.59 1g9l n ALA 9 Ca 0.00 -3.09 -0.17 0.00 0.00 0.00 0.00 53.44 50.18 1g9l n ALA 9 Cb 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 19.45 18.75 1g9l n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1g9l s THR 10 N -2.98 0.27 0.30 0.00 -1.32 -1.26 -5.14 115.64 105.51 1g9l s THR 10 Ca 0.38 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.55 1g9l s THR 10 Cb 0.37 -0.31 -0.10 0.00 -1.51 0.00 0.00 72.50 70.95 1g9l s THR 10 CO -0.06 0.14 1.22 -2.16 -2.21 0.00 0.00 174.62 171.55 1g9l s PRO 11 N 0.67 4.47 0.32 7.08 0.04 -1.26 -4.93 135.00 141.39 1g9l s PRO 11 Ca -0.07 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.25 1g9l s PRO 11 Cb -0.10 -3.13 0.69 0.00 0.04 0.00 0.00 34.50 32.00 1g9l s PRO 11 CO -0.01 -0.03 1.72 0.00 0.04 0.00 0.00 177.00 178.72 1g9l h ALA 12 N 3.77 1.00 -2.83 8.56 0.00 -2.00 -3.39 119.26 124.37 1g9l h ALA 12 Ca -0.48 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 53.66 1g9l h ALA 12 Cb 1.22 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1g9l h ALA 12 CO 0.67 0.00 0.09 0.08 0.00 0.00 0.00 179.25 180.09 1g9l s VAL 13 N -3.19 5.28 -0.09 0.00 1.01 -1.26 -5.04 120.40 117.10 1g9l s VAL 13 Ca 0.08 -2.90 -0.12 0.00 0.00 0.00 0.00 61.98 59.04 1g9l s VAL 13 Cb 0.09 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1g9l s VAL 13 CO 0.60 -1.05 0.29 -0.13 0.00 0.00 0.00 175.10 174.82 1g9l s ARG 14 N -0.34 3.91 0.01 2.72 0.52 -1.26 -5.09 118.95 119.41 1g9l s ARG 14 Ca 0.22 0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.57 1g9l s ARG 14 Cb -0.11 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 1g9l s ARG 14 CO -0.08 0.55 0.11 -0.08 0.02 0.00 0.00 175.30 175.82 1g9l s THR 15 N -0.51 4.92 -0.12 0.02 -1.32 -1.26 -5.11 115.64 112.26 1g9l s THR 15 Ca 0.19 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.24 1g9l s THR 15 Cb -0.14 -3.28 -0.04 0.00 -1.51 0.00 0.00 72.50 67.53 1g9l s THR 15 CO 0.07 0.31 0.04 0.68 -2.21 0.00 0.00 174.62 173.51 1g9l s VAL 16 N -1.27 4.63 -1.66 5.08 -7.23 -1.26 -4.99 120.40 113.71 1g9l s VAL 16 Ca 0.25 -0.12 0.19 0.00 -1.81 0.00 0.00 61.98 60.50 1g9l s VAL 16 Cb -0.12 -3.00 0.43 0.00 0.56 0.00 0.00 36.38 34.25 1g9l s VAL 16 CO 0.17 0.57 1.59 -0.81 -0.31 0.00 0.00 175.10 176.31 1g9l n PRO 17 N 2.48 0.41 -2.58 4.82 -0.04 -1.26 -4.80 135.00 134.04 1g9l n PRO 17 Ca -0.18 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 1g9l n PRO 17 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1g9l n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 18 N -2.34 3.86 0.87 0.54 -0.21 -1.26 -5.04 119.66 116.07 1g9l s GLN 18 Ca 0.23 1.34 -0.12 0.00 0.02 0.00 0.00 55.36 56.82 1g9l s GLN 18 Cb 0.13 -2.11 0.11 0.00 1.00 0.00 0.00 33.01 32.14 1g9l s GLN 18 CO 0.27 -0.38 1.12 0.71 -2.12 0.00 0.00 175.29 174.89 1g9l s TYR 19 N -2.00 2.64 -0.28 0.91 2.02 -1.26 -5.03 117.35 114.35 1g9l s TYR 19 Ca 0.66 0.97 -0.10 0.00 -0.37 0.00 0.00 57.07 58.24 1g9l s TYR 19 Cb -0.16 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1g9l s TYR 19 CO 0.19 -2.13 0.15 0.15 -1.57 0.00 0.00 175.55 172.34 1g9l s LYS 20 N -5.23 3.72 0.48 -0.62 1.02 -1.26 -5.08 119.74 112.77 1g9l s LYS 20 Ca 0.63 -0.46 -0.22 0.00 0.02 0.00 0.00 55.97 55.93 1g9l s LYS 20 Cb -0.15 -3.55 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 1g9l s LYS 20 CO 0.54 -0.24 1.16 0.71 -0.92 0.00 0.00 175.35 176.60 1g9l s TYR 21 N 1.69 2.82 -0.82 3.18 2.02 -1.26 -4.93 117.35 120.05 1g9l s TYR 21 Ca 0.06 1.53 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 1g9l s TYR 21 Cb -0.16 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 1g9l s TYR 21 CO 0.08 -1.56 1.62 0.00 -1.57 0.00 0.00 175.55 174.12 1g9l s ALA 22 N -1.58 2.35 -0.58 3.71 0.00 -1.26 -4.95 121.76 119.45 1g9l s ALA 22 Ca 0.66 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.91 1g9l s ALA 22 Cb -0.28 -4.41 0.04 0.00 0.00 0.00 0.00 23.12 18.47 1g9l s ALA 22 CO 0.34 -3.87 1.08 0.00 0.00 0.00 0.00 175.76 173.31 1g9l s ALA 23 N 7.36 3.05 -0.91 0.00 0.00 -1.26 -4.97 121.76 125.03 1g9l s ALA 23 Ca 0.54 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 1g9l s ALA 23 Cb -0.07 -3.92 0.17 0.00 0.00 0.00 0.00 23.12 19.30 1g9l s ALA 23 CO 0.07 -2.60 1.02 0.20 0.00 0.00 0.00 175.76 174.44 1g9l s GLY 24 N 3.00 2.25 -0.14 0.00 0.00 -1.26 -4.77 107.32 106.40 1g9l s GLY 24 Ca 0.36 -3.03 -0.13 0.00 0.00 0.00 0.00 44.72 41.92 1g9l s GLY 24 CO 0.21 1.73 -0.27 3.33 0.00 0.00 0.00 173.10 178.10 1g9l n VAL 25 N 4.83 1.37 -2.95 1.40 0.24 -1.26 -5.05 118.33 116.91 1g9l n VAL 25 Ca 0.21 0.07 -0.20 0.00 -2.04 0.00 0.00 64.34 62.39 1g9l n VAL 25 Cb 0.48 -2.08 0.06 0.00 -1.47 0.00 0.00 33.84 30.83 1g9l n VAL 25 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1g9l s ARG 26 N -2.62 2.28 -0.19 7.34 6.06 -1.26 -5.07 118.95 125.49 1g9l s ARG 26 Ca -0.24 -1.48 -0.20 0.00 -2.50 0.00 0.00 55.73 51.31 1g9l s ARG 26 Cb 0.05 -2.61 -0.17 0.00 0.06 0.00 0.00 34.95 32.28 1g9l s ARG 26 CO 0.34 -0.87 0.22 -0.91 -2.50 0.00 0.00 175.30 171.58 1g9l h ASN 27 N 0.12 0.00 -0.47 -2.12 4.21 -2.00 -3.42 115.58 111.89 1g9l h ASN 27 Ca -0.33 -0.48 -0.26 0.00 1.21 0.00 0.00 56.30 56.45 1g9l h ASN 27 Cb 1.28 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.45 1g9l h ASN 27 CO 0.41 1.30 0.78 -2.84 -1.29 0.00 0.00 177.43 175.79 1g9l s PRO 28 N -2.30 2.27 -0.17 0.81 0.02 -1.26 -4.66 135.00 129.71 1g9l s PRO 28 Ca -0.25 -0.74 -0.14 0.00 0.02 0.00 0.00 61.00 59.90 1g9l s PRO 28 Cb 0.04 -5.13 -0.22 0.00 0.02 0.00 0.00 34.50 29.21 1g9l s PRO 28 CO 0.53 -4.08 0.27 0.94 -0.33 0.00 0.00 177.00 174.34 1g9l n GLN 29 N 8.45 0.66 -2.19 5.54 7.27 -1.26 -4.96 117.38 130.88 1g9l n GLN 29 Ca 0.43 0.42 -0.27 0.00 0.07 0.00 0.00 57.00 57.65 1g9l n GLN 29 Cb 0.46 -1.72 0.12 0.00 2.41 0.00 0.00 30.24 31.51 1g9l n GLN 29 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1g9l s GLN 30 N -2.46 1.58 -0.45 3.69 1.11 -1.26 -5.05 119.66 116.81 1g9l s GLN 30 Ca -0.26 -0.49 0.09 0.00 0.01 0.00 0.00 55.36 54.71 1g9l s GLN 30 Cb 0.06 -2.10 0.32 0.00 -1.01 0.00 0.00 33.01 30.29 1g9l s GLN 30 CO 0.67 -1.67 0.76 1.58 0.01 0.00 0.00 175.29 176.64 1g9l n HIS 31 N -3.18 1.42 -3.28 0.91 -0.00 -1.26 -5.09 115.22 104.74 1g9l n HIS 31 Ca 0.12 -3.86 -0.38 0.00 0.46 0.00 0.00 57.72 54.06 1g9l n HIS 31 Cb 0.60 -0.44 -0.06 0.00 -0.12 0.00 0.00 29.99 29.97 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1g9l s LEU 32 N -2.53 4.39 0.00 0.27 2.34 -1.26 -5.08 118.68 116.81 1g9l s LEU 32 Ca 0.42 1.05 0.01 0.00 0.06 0.00 0.00 54.13 55.66 1g9l s LEU 32 Cb 0.29 -2.81 0.04 0.00 -0.56 0.00 0.00 46.19 43.14 1g9l s LEU 32 CO -0.09 0.11 0.27 -3.20 -1.06 0.00 0.00 176.35 172.38 1g9l n ASN 33 N 2.81 0.42 -4.68 1.48 5.15 -1.26 -5.04 115.26 114.15 1g9l n ASN 33 Ca -0.08 -1.34 -0.43 0.00 -0.60 0.00 0.00 54.58 52.13 1g9l n ASN 33 Cb 0.51 -0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 39.57 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g9l s ALA 34 N -2.73 3.57 -0.25 5.20 0.00 -1.26 -4.93 121.76 121.36 1g9l s ALA 34 Ca 0.18 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1g9l s ALA 34 Cb -0.01 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1g9l s ALA 34 CO 0.12 -0.93 -0.35 1.04 0.00 0.00 0.00 175.76 175.64 1g9l n GLN 35 N 5.79 0.56 -1.78 0.00 1.13 -1.26 -4.95 117.38 116.87 1g9l n GLN 35 Ca 0.12 0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 55.00 1g9l n GLN 35 Cb 0.46 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 1g9l n GLN 35 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1g9l s PRO 36 N -2.57 4.15 0.34 -1.09 0.02 -1.26 -4.99 135.00 129.60 1g9l s PRO 36 Ca -0.36 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.08 1g9l s PRO 36 Cb 0.12 -3.59 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 1g9l s PRO 36 CO 0.46 -0.81 0.68 -0.65 -0.33 0.00 0.00 177.00 176.35 1g9l s GLN 37 N 2.69 3.78 -0.05 5.54 -0.21 -1.26 -5.01 119.66 125.15 1g9l s GLN 37 Ca 0.79 0.36 0.08 0.00 0.02 0.00 0.00 55.36 56.61 1g9l s GLN 37 Cb -0.44 -2.49 -0.24 0.00 1.00 0.00 0.00 33.01 30.84 1g9l s GLN 37 CO 0.35 0.10 0.63 -0.39 -2.12 0.00 0.00 175.29 173.87 1g9l h VAL 38 N 1.42 0.84 -3.67 1.09 -1.51 -2.03 -3.44 116.25 108.96 1g9l h VAL 38 Ca -0.47 -2.66 -0.69 0.00 -1.23 0.00 0.00 66.70 61.65 1g9l h VAL 38 Cb 1.18 2.46 -0.29 0.00 -2.13 0.00 0.00 31.29 32.52 1g9l h VAL 38 CO 0.65 0.60 -0.63 -0.89 -1.23 0.00 0.00 177.57 176.07 1g9l s THR 39 N -2.59 3.69 -0.12 7.19 2.01 -1.26 -4.94 115.64 119.62 1g9l s THR 39 Ca -0.08 -1.08 0.17 0.00 0.31 0.00 0.00 61.69 61.01 1g9l s THR 39 Cb 0.08 -3.05 -0.16 0.00 0.01 0.00 0.00 72.50 69.38 1g9l s THR 39 CO 0.82 -0.11 0.75 0.23 -0.69 0.00 0.00 174.62 175.62 1g9l n MET 40 N 4.79 0.63 -1.40 4.92 0.00 -1.26 -5.08 117.12 119.73 1g9l n MET 40 Ca -0.13 0.20 0.19 0.00 0.00 0.00 0.00 57.70 57.95 1g9l n MET 40 Cb 0.45 -1.78 -0.05 0.00 0.00 0.00 0.00 33.22 31.84 1g9l n MET 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1g9l n GLN 41 N -2.86 -2.85 0.02 0.03 6.02 -1.26 -4.93 117.38 111.55 1g9l n GLN 41 Ca -0.11 1.95 0.00 0.00 -0.01 0.00 0.00 57.00 58.83 1g9l n GLN 41 Cb 0.86 -3.46 0.00 0.00 1.02 0.00 0.00 30.24 28.65 1g9l n GLN 41 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1g9l n GLN 42 N -4.12 0.00 -1.80 -1.09 7.27 -1.26 -4.95 117.38 111.43 1g9l n GLN 42 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.81 1g9l n GLN 42 Cb 0.67 -0.47 -0.05 0.00 2.41 0.00 0.00 30.24 32.79 1g9l n GLN 42 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1g9l s PRO 43 N -2.00 2.16 1.07 3.69 0.02 -1.26 -4.95 135.00 133.73 1g9l s PRO 43 Ca 0.00 0.39 -0.12 0.00 0.02 0.00 0.00 61.00 61.29 1g9l s PRO 43 Cb 0.00 -4.78 0.23 0.00 0.02 0.00 0.00 34.50 29.96 1g9l s PRO 43 CO 0.00 -3.64 1.06 0.00 -0.33 0.00 0.00 177.00 174.10 1g9l s ALA 44 N 11.91 0.32 -0.48 -1.55 0.00 -1.26 -4.99 121.76 125.72 1g9l s ALA 44 Ca 0.82 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1g9l s ALA 44 Cb -0.11 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1g9l s ALA 44 CO 0.10 -3.30 0.37 0.14 0.00 0.00 0.00 175.76 173.07 1g9l s VAL 45 N -2.68 4.44 0.08 0.00 -7.23 -1.26 -5.07 120.40 108.68 1g9l s VAL 45 Ca 0.67 -1.68 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 1g9l s VAL 45 Cb -0.22 -3.88 -0.05 0.00 0.56 0.00 0.00 36.38 32.78 1g9l s VAL 45 CO 0.61 -0.77 0.36 -2.28 -0.31 0.00 0.00 175.10 172.72 1g9l s HIS 46 N 1.42 3.55 0.44 2.82 2.46 -1.26 -5.11 115.29 119.61 1g9l s HIS 46 Ca 0.05 0.67 0.08 0.00 0.47 0.00 0.00 55.06 56.32 1g9l s HIS 46 Cb -0.27 -2.07 -0.01 0.00 -0.13 0.00 0.00 32.58 30.10 1g9l s HIS 46 CO 0.00 0.52 0.41 0.14 -2.47 0.00 0.00 174.74 173.34 1g9l s VAL 47 N -1.45 2.54 -0.40 0.89 -7.23 -1.26 -5.01 120.40 108.48 1g9l s VAL 47 Ca 0.34 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1g9l s VAL 47 Cb -0.13 -2.86 0.19 0.00 0.56 0.00 0.00 36.38 34.14 1g9l s VAL 47 CO 0.20 0.00 2.24 0.00 -0.31 0.00 0.00 175.10 177.22 1g9l n GLN 48 N -1.62 2.07 -0.65 4.82 6.02 -1.26 -4.62 117.38 122.14 1g9l n GLN 48 Ca 0.04 -1.98 -0.11 0.00 -0.01 0.00 0.00 57.00 54.94 1g9l n GLN 48 Cb 0.62 -1.84 0.04 0.00 1.02 0.00 0.00 30.24 30.08 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g9l n GLY 49 N 0.37 3.37 2.72 1.08 0.00 -1.26 -4.58 105.19 106.89 1g9l n GLY 49 Ca 0.39 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1g9l n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g9l n GLN 50 N 0.38 5.01 -3.02 1.61 1.13 -1.26 -5.00 117.38 116.23 1g9l n GLN 50 Ca 0.22 -4.67 -0.41 0.00 -1.94 0.00 0.00 57.00 50.19 1g9l n GLN 50 Cb 0.69 -2.45 -0.05 0.00 0.11 0.00 0.00 30.24 28.54 1g9l n GLN 50 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1g9l s GLU 51 N -3.97 4.16 0.00 -1.09 2.12 -1.26 -5.06 118.70 113.59 1g9l s GLU 51 Ca 0.39 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1g9l s GLU 51 Cb 0.18 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1g9l s GLU 51 CO -0.09 -0.43 0.00 -0.35 -0.54 0.00 0.00 175.26 173.85 1g9l n PRO 52 N 5.71 -0.18 -3.37 4.30 -0.04 -1.26 -5.04 135.00 135.11 1g9l n PRO 52 Ca 0.02 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 1g9l n PRO 52 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N 0.00 4.27 0.00 1.53 1.98 -1.26 -5.04 118.68 120.17 1g9l s LEU 53 Ca 0.00 1.03 -0.13 0.00 -2.89 0.00 0.00 54.13 52.14 1g9l s LEU 53 Cb 0.00 -3.43 0.05 0.00 0.66 0.00 0.00 46.19 43.47 1g9l s LEU 53 CO 0.00 0.04 0.63 0.41 -1.89 0.00 0.00 176.35 175.54 1g9l n THR 54 N 0.45 0.00 0.11 3.68 -1.04 -1.26 -4.93 114.28 111.30 1g9l n THR 54 Ca -0.03 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.05 61.42 1g9l n THR 54 Cb 0.52 0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 69.49 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 -0.68 -1.15 2.41 0.00 -1.62 -1.10 119.26 119.12 1g9l h ALA 55 Ca -0.18 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 54.99 1g9l h ALA 55 Cb 0.78 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 1g9l h ALA 55 CO 0.24 -0.95 0.77 0.77 0.00 0.00 0.00 179.25 180.08 1g9l h SER 56 N -0.62 0.27 -0.03 0.00 0.02 -1.85 0.52 113.55 111.87 1g9l h SER 56 Ca 0.03 0.07 -0.22 0.00 -0.84 0.00 0.00 61.79 60.82 1g9l h SER 56 Cb 0.65 0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.23 1g9l h SER 56 CO -0.23 0.01 -0.84 0.24 -1.14 0.00 0.00 176.83 174.88 1g9l h MET 57 N 0.22 0.62 -0.89 3.45 2.07 -1.74 -2.70 114.93 115.96 1g9l h MET 57 Ca 0.63 -0.63 0.10 0.00 -2.07 0.00 0.00 59.70 57.73 1g9l h MET 57 Cb 1.95 0.17 -0.06 0.00 -1.87 0.00 0.00 31.60 31.79 1g9l h MET 57 CO -0.23 1.23 0.58 -0.07 1.07 0.00 0.00 176.91 179.49 1g9l h LEU 58 N 0.25 0.80 -1.16 1.22 4.07 0.11 0.11 115.31 120.71 1g9l h LEU 58 Ca -0.10 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1g9l h LEU 58 Cb 1.50 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1g9l h LEU 58 CO 0.17 0.47 -0.21 0.00 -1.08 0.00 0.00 178.44 177.79 1g9l h ALA 59 N 1.55 1.03 0.00 1.53 0.00 -0.76 -2.85 119.26 119.76 1g9l h ALA 59 Ca 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1g9l h ALA 59 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1g9l h ALA 59 CO -0.18 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.76 1g9l n SER 60 N -3.38 0.00 -3.16 0.00 7.64 0.37 -3.43 113.62 111.66 1g9l n SER 60 Ca 0.00 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.92 1g9l n SER 60 Cb 0.42 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 61 N -1.37 2.92 0.05 -0.43 0.00 -1.07 -4.98 120.51 115.63 1g9l n ALA 61 Ca 0.05 -3.84 -0.11 0.00 0.00 0.00 0.00 53.44 49.54 1g9l n ALA 61 Cb 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 3.37 -0.31 -0.73 0.00 0.11 -1.75 -0.55 132.00 132.16 1g9l h PRO 62 Ca 0.11 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1g9l h PRO 62 Cb 0.81 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.91 1g9l h PRO 62 CO 0.60 -0.21 0.18 -0.35 -0.21 0.00 0.00 178.00 178.01 1g9l n PRO 63 N -5.33 3.92 0.00 1.05 -0.04 -1.26 -4.40 135.00 128.94 1g9l n PRO 63 Ca -0.05 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 1g9l n PRO 63 Cb 0.25 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1g9l n PRO 63 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1g9l n GLN 64 N 0.11 0.00 -1.58 0.54 -0.06 -1.02 -4.97 117.38 110.39 1g9l n GLN 64 Ca 0.35 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 55.04 1g9l n GLN 64 Cb 1.27 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 27.51 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1g9l n GLU 65 N 0.00 3.02 0.24 3.69 -0.58 -1.14 -4.62 120.64 121.25 1g9l n GLU 65 Ca 0.00 -3.61 0.12 0.00 -0.42 0.00 0.00 57.16 53.25 1g9l n GLU 65 Cb 0.00 -2.29 0.52 0.00 -0.57 0.00 0.00 31.44 29.10 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 2.07 0.00 0.00 3.49 4.15 -1.29 -2.94 115.11 120.60 1g9l h GLN 66 Ca 0.52 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.85 1g9l h GLN 66 Cb 1.06 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.55 1g9l h GLN 66 CO 1.30 0.17 -0.76 1.63 -1.93 0.00 0.00 178.83 179.24 1g9l n LYS 67 N -3.34 0.67 0.02 1.69 5.02 -1.26 -4.85 118.16 116.12 1g9l n LYS 67 Ca 0.00 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.82 1g9l n LYS 67 Cb 0.39 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1g9l n GLN 68 N -0.24 0.00 0.00 1.97 -0.06 -1.20 -4.83 117.38 113.02 1g9l n GLN 68 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1g9l n GLN 68 Cb 0.92 -0.15 0.00 0.00 -4.06 0.00 0.00 30.24 26.96 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g9l n MET 69 N -2.82 0.92 -0.01 3.69 0.00 -1.12 -2.38 117.12 115.41 1g9l n MET 69 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1g9l n MET 69 Cb 0.12 -1.27 -0.14 0.00 0.00 0.00 0.00 33.22 31.93 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.04 0.08 -1.79 3.17 -0.00 -1.88 -3.25 115.31 111.68 1g9l h LEU 70 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1g9l h LEU 70 Cb 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1g9l h LEU 70 CO 0.00 1.15 -0.01 0.61 -0.00 0.00 0.00 178.44 180.18 1g9l n GLY 71 N 1.61 -0.60 0.00 0.17 0.00 -1.20 -4.49 105.19 100.68 1g9l n GLY 71 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1g9l n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g9l n GLU 72 N -0.20 2.38 0.00 1.61 1.02 -1.00 -3.42 120.64 121.02 1g9l n GLU 72 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1g9l n GLU 72 Cb 0.41 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1g9l n ARG 73 N -0.37 2.92 0.16 3.49 0.00 -1.24 -4.66 116.66 116.96 1g9l n ARG 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1g9l n ARG 73 Cb 0.04 -0.66 0.37 0.00 0.00 0.00 0.00 32.46 32.21 1g9l n ARG 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1g9l h LEU 74 N 0.00 0.00 -0.35 6.15 3.38 -1.78 -3.35 115.31 119.36 1g9l h LEU 74 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1g9l h LEU 74 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1g9l h LEU 74 CO 0.00 0.00 -0.29 0.15 0.09 0.00 0.00 178.44 178.39 1g9l h PHE 75 N 0.00 -0.80 0.00 1.13 3.57 -1.86 0.17 116.94 119.16 1g9l h PHE 75 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1g9l h PHE 75 Cb 0.74 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1g9l h PHE 75 CO 0.00 -0.36 0.00 -2.30 -2.23 0.00 0.00 178.31 173.42 1g9l n PRO 76 N -5.41 0.10 -0.11 6.41 -0.02 -1.26 -2.53 135.00 132.20 1g9l n PRO 76 Ca 0.01 0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 1g9l n PRO 76 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g9l n LEU 77 N -1.32 2.56 -0.36 2.45 7.99 0.47 -4.42 117.00 124.37 1g9l n LEU 77 Ca 0.04 -0.08 -0.02 0.00 -0.01 0.00 0.00 56.01 55.94 1g9l n LEU 77 Cb 0.07 -0.75 0.10 0.00 -0.11 0.00 0.00 43.42 42.73 1g9l n LEU 77 CO 0.07 0.87 1.28 0.40 -1.51 0.00 0.00 177.39 178.50 1g9l h ILE 78 N 0.01 1.25 -0.18 -0.08 1.08 -0.87 -1.53 117.51 117.19 1g9l h ILE 78 Ca -0.55 -0.45 0.05 0.00 -0.39 0.00 0.00 64.86 63.52 1g9l h ILE 78 Cb 1.96 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1g9l h ILE 78 CO -0.05 0.24 0.66 1.56 -0.69 0.00 0.00 178.15 179.86 1g9l h GLN 79 N 1.30 0.00 0.14 2.37 4.20 -1.71 0.63 115.11 122.04 1g9l h GLN 79 Ca 0.35 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.84 1g9l h GLN 79 Cb -0.15 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.64 1g9l h GLN 79 CO -0.08 0.00 -1.06 0.00 -0.67 0.00 0.00 178.83 177.02 1g9l h ALA 80 N 0.86 -0.00 -0.40 3.87 0.00 -1.52 -3.14 119.26 118.92 1g9l h ALA 80 Ca 0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 1g9l h ALA 80 Cb 1.40 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1g9l h ALA 80 CO -0.00 0.55 -0.04 0.52 0.00 0.00 0.00 179.25 180.28 1g9l h MET 81 N -0.32 0.73 -6.51 0.00 2.86 0.08 -3.44 114.93 108.33 1g9l h MET 81 Ca -0.21 -0.25 -0.66 0.00 -2.06 0.00 0.00 59.70 56.52 1g9l h MET 81 Cb 1.71 -0.05 -0.27 0.00 0.06 0.00 0.00 31.60 33.05 1g9l h MET 81 CO 0.13 0.84 -0.87 -1.01 1.06 0.00 0.00 176.91 177.06 1g9l s HIS 82 N -4.90 2.15 -0.85 -0.22 3.76 0.35 -5.03 115.29 110.55 1g9l s HIS 82 Ca -0.13 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.17 1g9l s HIS 82 Cb 0.10 -1.30 -0.19 0.00 1.11 0.00 0.00 32.58 32.30 1g9l s HIS 82 CO 0.80 0.10 1.87 -2.30 -0.85 0.00 0.00 174.74 174.36 1g9l n PRO 83 N 1.88 0.07 -3.00 8.40 -0.02 -1.26 -3.38 135.00 137.69 1g9l n PRO 83 Ca -0.17 -1.32 -0.13 0.00 -2.02 0.00 0.00 63.50 59.85 1g9l n PRO 83 Cb 0.52 -3.30 -0.02 0.00 -0.02 0.00 0.00 33.50 30.69 1g9l n PRO 83 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 84 N 8.10 -0.26 1.18 3.45 -2.24 -1.19 -4.76 114.28 118.58 1g9l n THR 84 Ca 0.32 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1g9l n THR 84 Cb 0.48 -0.66 0.28 0.00 -2.10 0.00 0.00 70.33 68.33 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g9l n LEU 85 N -3.03 1.54 -0.52 3.22 4.77 -1.22 -4.23 117.00 117.53 1g9l n LEU 85 Ca -0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1g9l n LEU 85 Cb 0.51 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1g9l n LEU 85 CO 0.28 0.35 0.15 0.00 -1.33 0.00 0.00 177.39 176.85 1g9l n ALA 86 N 0.28 1.88 0.24 -1.18 0.00 -1.26 -4.04 120.51 116.43 1g9l n ALA 86 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 1g9l n ALA 86 Cb 0.28 -1.00 0.83 0.00 0.00 0.00 0.00 19.45 19.56 1g9l n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 87 N 3.31 0.00 -1.60 0.00 0.00 -1.97 -3.25 103.07 99.56 1g9l h GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1g9l h GLY 87 CO 0.00 0.00 -0.18 1.17 0.00 0.00 0.00 176.54 177.53 1g9l n LYS 88 N -3.29 0.00 0.00 4.80 3.00 -1.26 -5.00 118.16 116.41 1g9l n LYS 88 Ca 0.01 -0.64 0.00 0.00 -0.00 0.00 0.00 58.31 57.69 1g9l n LYS 88 Cb 0.42 0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.89 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1g9l n ILE 89 N 0.00 0.00 -0.32 3.15 5.41 -1.23 -3.37 119.36 123.00 1g9l n ILE 89 Ca -0.18 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.68 1g9l n ILE 89 Cb 0.55 -0.01 0.28 0.00 -0.71 0.00 0.00 39.64 39.75 1g9l n ILE 89 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1g9l h THR 90 N 0.00 0.67 -0.50 1.39 2.02 -1.91 0.62 112.91 115.21 1g9l h THR 90 Ca 0.00 -0.22 0.12 0.00 0.77 0.00 0.00 66.41 67.08 1g9l h THR 90 Cb 0.00 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1g9l h THR 90 CO 0.00 0.12 0.35 1.23 0.37 0.00 0.00 175.52 177.59 1g9l h GLY 91 N 0.64 0.18 1.66 2.16 0.00 -1.78 0.30 103.07 106.23 1g9l h GLY 91 Ca 0.53 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 1g9l h GLY 91 CO -0.40 0.03 -0.64 1.98 0.00 0.00 0.00 176.54 177.51 1g9l h MET 92 N 0.12 0.00 0.00 4.80 1.85 0.17 -3.19 114.93 118.68 1g9l h MET 92 Ca 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.33 1g9l h MET 92 Cb 0.77 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.80 1g9l h MET 92 CO -0.03 0.27 0.00 1.28 -0.40 0.00 0.00 176.91 178.03 1g9l n LEU 93 N -3.05 0.00 -1.54 3.39 7.99 0.10 0.96 117.00 124.85 1g9l n LEU 93 Ca -0.00 0.38 -0.06 0.00 -0.01 0.00 0.00 56.01 56.32 1g9l n LEU 93 Cb 0.68 -0.38 0.24 0.00 -0.11 0.00 0.00 43.42 43.85 1g9l n LEU 93 CO 0.39 -0.35 0.90 0.18 -1.51 0.00 0.00 177.39 177.01 1g9l n LEU 94 N -1.38 5.12 0.00 2.23 4.32 -1.19 -4.03 117.00 122.07 1g9l n LEU 94 Ca 0.01 -3.44 0.00 0.00 -0.02 0.00 0.00 56.01 52.56 1g9l n LEU 94 Cb 0.02 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 1g9l n LEU 94 CO 0.02 0.98 0.00 -1.84 -1.22 0.00 0.00 177.39 175.33 1g9l n GLU 95 N -0.74 0.00 0.00 3.23 0.28 0.27 -5.09 120.64 118.59 1g9l n GLU 95 Ca 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1g9l n GLU 95 Cb 1.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.10 1g9l n GLU 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1g9l n ILE 96 N 0.00 0.00 0.00 3.84 -0.00 0.23 -4.64 119.36 118.79 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1g9l n ASP 97 Cb 0.00 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1g9l n ASN 98 N -1.15 0.00 0.10 1.67 3.02 -1.26 -4.66 115.26 112.97 1g9l n ASN 98 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1g9l n ASN 98 Cb 0.01 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1g9l n ASN 98 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1g9l h SER 99 N 0.00 0.11 1.29 6.41 0.87 -1.97 -2.76 113.55 117.50 1g9l h SER 99 Ca 0.00 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1g9l h SER 99 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1g9l h SER 99 CO 0.00 0.86 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.58 1g9l h GLU 100 N 0.05 0.00 0.00 2.24 5.08 -1.92 -0.33 114.58 119.70 1g9l h GLU 100 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1g9l h GLU 100 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1g9l h GLU 100 CO 0.11 0.26 -0.42 1.25 -1.00 0.00 0.00 179.01 179.20 1g9l h LEU 101 N 0.00 0.00 0.01 1.33 5.85 -1.65 -2.24 115.31 118.61 1g9l h LEU 101 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1g9l h LEU 101 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1g9l h LEU 101 CO 0.03 0.42 -0.97 -0.07 -0.34 0.00 0.00 178.44 177.51 1g9l h LEU 102 N 0.00 0.03 -0.32 2.25 4.07 -1.20 -3.33 115.31 116.81 1g9l h LEU 102 Ca -0.00 -0.66 0.01 0.00 0.08 0.00 0.00 57.88 57.30 1g9l h LEU 102 Cb 1.08 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1g9l h LEU 102 CO 0.06 1.39 0.20 -0.74 -1.08 0.00 0.00 178.44 178.26 1g9l h HIS 103 N -0.93 0.37 -0.89 1.13 2.76 -1.15 -1.95 115.15 114.49 1g9l h HIS 103 Ca -0.26 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.09 1g9l h HIS 103 Cb 1.27 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 30.04 1g9l h HIS 103 CO 0.14 0.23 0.58 0.00 -1.30 0.00 0.00 177.93 177.58 1g9l h MET 104 N 0.41 0.57 -0.00 5.26 -0.00 -1.58 0.88 114.93 120.46 1g9l h MET 104 Ca 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.79 1g9l h MET 104 Cb -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.45 1g9l h MET 104 CO -0.05 0.38 -0.18 1.28 -0.00 0.00 0.00 176.91 178.34 1g9l n LEU 105 N -4.56 0.63 -0.09 -0.10 4.77 -0.99 -2.87 117.00 113.79 1g9l n LEU 105 Ca 0.18 -0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1g9l n LEU 105 Cb 0.55 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1g9l n LEU 105 CO 0.29 0.12 0.06 -0.62 -1.33 0.00 0.00 177.39 175.92 1g9l n GLU 106 N -0.92 3.07 -3.80 3.23 -0.58 0.26 -4.74 120.64 117.15 1g9l n GLU 106 Ca 0.13 -0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.51 1g9l n GLU 106 Cb 0.31 -1.02 -0.11 0.00 -0.57 0.00 0.00 31.44 30.04 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g9l s SER 107 N -1.76 -0.20 0.00 1.62 0.15 0.11 -5.02 113.70 108.60 1g9l s SER 107 Ca 0.06 0.34 0.21 0.00 0.70 0.00 0.00 55.95 57.26 1g9l s SER 107 Cb 0.08 0.41 1.24 0.00 -1.71 0.00 0.00 66.02 66.04 1g9l s SER 107 CO 0.36 -0.14 1.64 -2.65 1.20 0.00 0.00 173.24 173.65 1g9l n PRO 108 N 2.64 0.62 0.00 5.44 -0.02 -1.26 -2.68 135.00 139.74 1g9l n PRO 108 Ca -0.15 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1g9l n PRO 108 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -1.03 1.59 0.04 -0.52 1.02 -1.26 -4.74 120.64 115.74 1g9l n GLU 109 Ca 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 1g9l n GLU 109 Cb 0.08 -0.86 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 1g9l n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1g9l h SER 110 N 0.00 -0.05 -1.25 1.62 4.64 -1.76 0.37 113.55 117.11 1g9l h SER 110 Ca 0.00 -0.18 0.36 0.00 -0.47 0.00 0.00 61.79 61.51 1g9l h SER 110 Cb 0.00 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 1g9l h SER 110 CO 0.00 0.15 0.95 0.25 -0.87 0.00 0.00 176.83 177.31 1g9l h LEU 111 N -0.25 0.00 0.00 5.97 7.12 -1.64 0.81 115.31 127.33 1g9l h LEU 111 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1g9l h LEU 111 Cb 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1g9l h LEU 111 CO 0.01 0.00 -0.41 0.54 -0.13 0.00 0.00 178.44 178.45 1g9l n ARG 112 N -4.02 0.31 -0.27 1.25 1.74 -0.76 -2.23 116.66 112.69 1g9l n ARG 112 Ca 0.27 0.36 0.32 0.00 -0.77 0.00 0.00 57.85 58.03 1g9l n ARG 112 Cb 1.35 -1.31 0.73 0.00 -1.02 0.00 0.00 32.46 32.22 1g9l n ARG 112 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1g9l h SER 113 N -0.66 0.01 0.22 0.55 0.02 0.05 0.45 113.55 114.20 1g9l h SER 113 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1g9l h SER 113 Cb 0.41 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.99 1g9l h SER 113 CO 0.00 0.00 -1.36 0.11 -1.14 0.00 0.00 176.83 174.44 1g9l h LYS 114 N 0.01 0.46 0.51 3.45 1.79 0.46 -2.97 116.57 120.29 1g9l h LYS 114 Ca 0.51 -0.79 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1g9l h LYS 114 Cb 2.02 0.29 0.00 0.00 -1.58 0.00 0.00 32.23 32.97 1g9l h LYS 114 CO -0.01 1.38 -0.24 0.28 -1.08 0.00 0.00 179.45 179.77 1g9l h VAL 115 N 0.00 0.00 -1.05 0.50 2.07 0.15 0.31 116.25 118.23 1g9l h VAL 115 Ca -0.24 -0.24 0.28 0.00 0.82 0.00 0.00 66.70 67.32 1g9l h VAL 115 Cb 2.03 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1g9l h VAL 115 CO 0.23 0.00 0.68 -0.78 0.02 0.00 0.00 177.57 177.72 1g9l h ASP 116 N -0.92 0.42 -0.10 0.57 1.82 -0.58 0.37 116.42 118.00 1g9l h ASP 116 Ca -0.07 0.08 -0.21 0.00 -0.39 0.00 0.00 57.03 56.44 1g9l h ASP 116 Cb 0.52 0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.56 1g9l h ASP 116 CO 0.11 0.07 -0.75 -0.33 -1.61 0.00 0.00 179.24 176.73 1g9l h GLU 117 N 0.36 0.69 0.00 0.28 5.08 -1.46 -2.86 114.58 116.68 1g9l h GLU 117 Ca 0.60 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1g9l h GLU 117 Cb 1.58 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1g9l h GLU 117 CO -0.29 1.21 -0.02 0.00 -1.00 0.00 0.00 179.01 178.91 1g9l h ALA 118 N 0.49 1.14 -0.21 3.43 0.00 0.36 -1.21 119.26 123.26 1g9l h ALA 118 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1g9l h ALA 118 Cb 1.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1g9l h ALA 118 CO 0.15 0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 1g9l h VAL 119 N 0.00 1.27 0.00 0.00 2.07 -0.61 0.94 116.25 119.92 1g9l h VAL 119 Ca -0.00 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1g9l h VAL 119 Cb 0.14 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1g9l h VAL 119 CO 0.00 0.29 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 1g9l h ALA 120 N 0.77 1.65 0.04 1.67 0.00 -1.18 0.24 119.26 122.44 1g9l h ALA 120 Ca 0.06 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1g9l h ALA 120 Cb 0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1g9l h ALA 120 CO 0.02 0.01 -1.45 0.28 0.00 0.00 0.00 179.25 178.10 1g9l h VAL 121 N 0.00 1.20 -0.15 0.00 2.07 -0.89 -2.92 116.25 115.55 1g9l h VAL 121 Ca -0.00 -2.94 -0.17 0.00 0.82 0.00 0.00 66.70 64.42 1g9l h VAL 121 Cb 0.01 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1g9l h VAL 121 CO 0.00 0.75 -0.60 0.25 0.02 0.00 0.00 177.57 177.99 1g9l h LEU 122 N 0.02 0.57 -0.86 2.57 5.85 0.24 -0.58 115.31 123.12 1g9l h LEU 122 Ca -0.19 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 1g9l h LEU 122 Cb 1.94 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1g9l h LEU 122 CO 0.12 1.03 -0.51 1.56 -0.34 0.00 0.00 178.44 180.30 1g9l h GLN 123 N 0.38 0.00 -0.00 1.25 1.08 -0.70 -0.43 115.11 116.67 1g9l h GLN 123 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1g9l h GLN 123 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1g9l h GLN 123 CO 0.11 0.51 -0.28 0.00 -0.95 0.00 0.00 178.83 178.22 1g9l n ALA 124 N -2.38 3.11 -0.10 3.87 0.00 -1.07 -3.85 120.51 120.09 1g9l n ALA 124 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1g9l n ALA 124 Cb 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1g9l n ALA 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1g9l n HIS 125 N -0.93 0.00 0.00 0.00 8.25 -0.25 -4.48 115.22 117.81 1g9l n HIS 125 Ca 0.11 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1g9l n HIS 125 Cb 0.33 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g9l n GLN 126 N -0.37 0.00 -0.86 -0.41 6.02 -0.20 -4.66 117.38 116.88 1g9l n GLN 126 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1g9l n GLN 126 Cb 0.23 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.69 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n ALA 127 N -3.00 4.45 -1.81 -1.58 0.00 -1.26 -4.75 120.51 112.55 1g9l n ALA 127 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1g9l n ALA 127 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1g9l n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g9l n LYS 128 N -0.34 3.73 -1.28 0.00 4.76 -1.26 -4.94 118.16 118.83 1g9l n LYS 128 Ca 0.38 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.61 1g9l n LYS 128 Cb 1.27 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 34.37 1g9l n LYS 128 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1g9l n GLU 129 N 0.00 2.21 -0.38 1.97 2.13 -1.26 -4.50 120.64 120.81 1g9l n GLU 129 Ca 0.00 -1.83 0.03 0.00 0.66 0.00 0.00 57.16 56.02 1g9l n GLU 129 Cb 0.00 -2.04 0.18 0.00 0.27 0.00 0.00 31.44 29.84 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N 1.37 3.07 1.86 4.31 0.00 -1.26 -3.98 120.51 125.87 1g9l n ALA 130 Ca 0.45 -0.82 0.16 0.00 0.00 0.00 0.00 53.44 53.22 1g9l n ALA 130 Cb 0.67 -1.05 0.89 0.00 0.00 0.00 0.00 19.45 19.95 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 131 N 0.29 2.65 -2.43 0.00 0.00 -1.26 -4.75 120.51 115.00 1g9l n ALA 131 Ca 0.12 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1g9l n ALA 131 Cb 0.64 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1g9l n ALA 131 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 132 N -2.12 3.54 0.44 0.00 -1.52 -1.26 -4.87 119.66 113.88 1g9l s GLN 132 Ca 0.44 0.68 0.20 0.00 -1.95 0.00 0.00 55.36 54.73 1g9l s GLN 132 Cb 0.22 -4.02 1.05 0.00 -0.22 0.00 0.00 33.01 30.03 1g9l s GLN 132 CO 0.39 -1.62 1.93 0.87 -0.25 0.00 0.00 175.29 176.61 1g9l h LYS 133 N 10.37 0.00 -7.26 2.91 1.57 -1.97 -3.44 116.57 118.76 1g9l h LYS 133 Ca -0.26 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.00 1g9l h LYS 133 Cb 1.09 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.53 1g9l h LYS 133 CO 1.13 0.24 0.34 0.00 -0.57 0.00 0.00 179.45 180.58 1g9l s ALA 134 N -4.16 2.26 0.56 3.86 0.00 -1.26 -5.05 121.76 117.96 1g9l s ALA 134 Ca -0.02 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1g9l s ALA 134 Cb 0.13 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.99 1g9l s ALA 134 CO 0.66 -1.68 0.77 0.14 0.00 0.00 0.00 175.76 175.65 1g9l s VAL 135 N -2.60 2.55 0.77 0.00 -7.23 -1.26 -5.08 120.40 107.54 1g9l s VAL 135 Ca 0.65 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.90 1g9l s VAL 135 Cb -0.20 -2.76 0.06 0.00 0.56 0.00 0.00 36.38 34.04 1g9l s VAL 135 CO 0.50 0.00 1.13 0.54 -0.31 0.00 0.00 175.10 176.96 1g9l s ASN 136 N -4.51 4.25 -0.15 4.85 4.22 -1.26 -5.01 114.94 117.33 1g9l s ASN 136 Ca 0.59 2.05 -0.12 0.00 -2.14 0.00 0.00 52.86 53.24 1g9l s ASN 136 Cb -0.08 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.85 1g9l s ASN 136 CO 0.38 -2.21 0.24 -0.55 -2.04 0.00 0.00 177.10 172.92 1g9l s SER 137 N -2.77 6.41 -0.93 3.54 0.15 -1.26 -5.02 113.70 113.81 1g9l s SER 137 Ca 0.66 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.55 1g9l s SER 137 Cb -0.21 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1g9l s SER 137 CO 0.51 0.20 1.52 0.00 1.20 0.00 0.00 173.24 176.66 1g9l s ALA 138 N 0.03 2.52 -0.67 5.45 0.00 -1.26 -4.71 121.76 123.11 1g9l s ALA 138 Ca 0.15 -1.90 0.19 0.00 0.00 0.00 0.00 51.96 50.39 1g9l s ALA 138 Cb -0.13 -4.48 -0.22 0.00 0.00 0.00 0.00 23.12 18.29 1g9l s ALA 138 CO 0.03 -3.77 0.70 0.25 0.00 0.00 0.00 175.76 172.97 1g9l n THR 139 N 6.98 0.00 -0.02 0.00 -2.24 -1.26 -4.67 114.28 113.06 1g9l n THR 139 Ca 0.28 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1g9l n THR 139 Cb 0.50 0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1g9l n THR 139 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1g9l h GLY 140 N 4.16 0.00 -6.24 3.38 0.00 -2.02 -3.47 103.07 98.88 1g9l h GLY 140 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1g9l h GLY 140 CO 0.00 0.00 -0.51 0.14 0.00 0.00 0.00 176.54 176.17 1g9l s VAL 141 N -1.33 5.27 0.69 4.60 1.01 -1.26 -2.93 120.40 126.44 1g9l s VAL 141 Ca -0.04 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1g9l s VAL 141 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1g9l s VAL 141 CO 0.05 0.44 1.05 -2.16 0.00 0.00 0.00 175.10 174.48 1g9l s PRO 142 N 0.36 2.69 0.21 2.72 0.04 -1.26 -4.89 135.00 134.87 1g9l s PRO 142 Ca 0.07 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.31 1g9l s PRO 142 Cb -0.11 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1g9l s PRO 142 CO -0.01 -1.04 0.28 0.25 0.04 0.00 0.00 177.00 176.52 1g9l n THR 143 N -2.92 0.00 1.11 1.26 -2.24 -1.15 -4.98 114.28 105.35 1g9l n THR 143 Ca 0.06 -0.30 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1g9l n THR 143 Cb 0.58 -1.59 0.19 0.00 -2.10 0.00 0.00 70.33 67.41 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05