#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 2.22 -2.78 1.61 -0.04 -1.26 -4.94 135.00 129.82 1g9l n PRO 2 Ca 0.00 -2.68 -0.42 0.00 -0.04 0.00 0.00 63.50 60.36 1g9l n PRO 2 Cb 0.00 -3.52 -0.03 0.00 -0.04 0.00 0.00 33.50 29.91 1g9l n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 3 N 6.84 4.08 -0.46 1.53 2.96 -1.26 -4.94 118.68 127.44 1g9l s LEU 3 Ca 0.61 1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1g9l s LEU 3 Cb 0.04 -3.36 0.28 0.00 0.50 0.00 0.00 46.19 43.65 1g9l s LEU 3 CO 0.10 -0.61 2.09 0.61 -1.32 0.00 0.00 176.35 177.22 1g9l n GLY 4 N 3.59 4.73 3.44 7.98 0.00 -1.26 -4.86 105.19 118.82 1g9l n GLY 4 Ca 0.09 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.48 6.47 -0.31 1.61 0.01 -1.26 -4.95 113.70 114.78 1g9l s SER 5 Ca 0.45 -1.71 -0.01 0.00 1.31 0.00 0.00 55.95 55.99 1g9l s SER 5 Cb 0.35 -2.40 0.10 0.00 0.21 0.00 0.00 66.02 64.28 1g9l s SER 5 CO -0.04 -1.17 0.10 0.00 0.41 0.00 0.00 173.24 172.54 1g9l s ALA 6 N 3.05 1.40 0.44 1.44 0.00 -1.26 -5.13 121.76 121.71 1g9l s ALA 6 Ca 0.28 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.72 1g9l s ALA 6 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1g9l s ALA 6 CO -0.03 -1.66 0.15 0.00 0.00 0.00 0.00 175.76 174.22 1g9l s ALA 7 N 1.69 3.68 0.10 0.00 0.00 -1.26 -5.15 121.76 120.82 1g9l s ALA 7 Ca 0.10 -1.80 0.09 0.00 0.00 0.00 0.00 51.96 50.34 1g9l s ALA 7 Cb -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1g9l s ALA 7 CO -0.27 -0.17 -0.23 0.00 0.00 0.00 0.00 175.76 175.09 1g9l s ALA 8 N -2.68 2.00 0.00 0.00 0.00 -1.26 -5.14 121.76 114.68 1g9l s ALA 8 Ca 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1g9l s ALA 8 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1g9l s ALA 8 CO 0.19 0.43 0.00 0.00 0.00 0.00 0.00 175.76 176.38 1g9l n ALA 9 N 1.11 0.00 -1.53 0.00 0.00 -1.26 -5.05 120.51 113.78 1g9l n ALA 9 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 1g9l n ALA 9 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.06 1g9l n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g9l n THR 10 N 0.00 3.68 1.84 0.00 -2.24 -1.26 -1.39 114.28 114.91 1g9l n THR 10 Ca 0.00 -0.44 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1g9l n THR 10 Cb 0.00 -1.23 0.86 0.00 -2.10 0.00 0.00 70.33 67.86 1g9l n THR 10 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1g9l n PRO 11 N -1.71 0.98 -2.07 -0.78 -0.04 -1.26 -5.00 135.00 125.12 1g9l n PRO 11 Ca 0.14 -0.12 -0.27 0.00 -0.04 0.00 0.00 63.50 63.21 1g9l n PRO 11 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l s ALA 12 N -2.10 1.73 0.16 0.55 0.00 -0.49 -4.95 121.76 116.65 1g9l s ALA 12 Ca 0.43 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.58 1g9l s ALA 12 Cb 0.22 -4.56 -0.08 0.00 0.00 0.00 0.00 23.12 18.69 1g9l s ALA 12 CO 0.38 -4.79 0.70 0.08 0.00 0.00 0.00 175.76 172.13 1g9l s VAL 13 N 9.90 4.54 0.13 0.00 1.01 -1.26 -4.42 120.40 130.30 1g9l s VAL 13 Ca 0.69 1.42 -0.31 0.00 0.00 0.00 0.00 61.98 63.78 1g9l s VAL 13 Cb -0.06 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1g9l s VAL 13 CO -0.00 0.43 1.35 -0.60 0.00 0.00 0.00 175.10 176.28 1g9l s ARG 14 N -1.41 4.35 -0.94 2.72 6.06 -1.26 -4.97 118.95 123.50 1g9l s ARG 14 Ca 0.36 2.04 -0.12 0.00 -2.50 0.00 0.00 55.73 55.51 1g9l s ARG 14 Cb -0.20 -3.24 0.24 0.00 0.06 0.00 0.00 34.95 31.81 1g9l s ARG 14 CO 0.23 -0.37 0.91 0.99 -2.50 0.00 0.00 175.30 174.56 1g9l s THR 15 N 0.81 5.77 -0.16 4.11 2.01 -1.26 -5.03 115.64 121.88 1g9l s THR 15 Ca 0.62 -2.85 -0.07 0.00 0.31 0.00 0.00 61.69 59.70 1g9l s THR 15 Cb -0.36 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 1g9l s THR 15 CO 0.32 -1.10 0.08 0.54 -0.69 0.00 0.00 174.62 173.77 1g9l s VAL 16 N -0.39 4.94 0.41 3.82 0.11 -1.26 -2.07 120.40 125.95 1g9l s VAL 16 Ca 0.23 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 1g9l s VAL 16 Cb -0.10 -3.20 -0.09 0.00 -1.53 0.00 0.00 36.38 31.46 1g9l s VAL 16 CO -0.09 0.50 1.06 -2.16 -3.33 0.00 0.00 175.10 171.08 1g9l s PRO 17 N -0.00 4.11 0.01 1.54 0.04 -1.26 -5.11 135.00 134.34 1g9l s PRO 17 Ca 0.07 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1g9l s PRO 17 Cb -0.12 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 1g9l s PRO 17 CO 0.01 -0.19 1.38 -0.65 0.04 0.00 0.00 177.00 177.58 1g9l s GLN 18 N -2.55 4.30 0.93 4.56 -0.21 -0.88 -5.02 119.66 120.79 1g9l s GLN 18 Ca 0.59 1.95 -0.16 0.00 0.02 0.00 0.00 55.36 57.76 1g9l s GLN 18 Cb -0.22 -3.52 0.22 0.00 1.00 0.00 0.00 33.01 30.48 1g9l s GLN 18 CO 0.28 -0.53 1.16 0.66 -2.12 0.00 0.00 175.29 174.73 1g9l n TYR 19 N 5.11 -3.96 -2.66 0.91 4.02 -1.26 -5.02 117.16 114.30 1g9l n TYR 19 Ca 0.13 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.90 56.58 1g9l n TYR 19 Cb 0.44 -0.95 -0.05 0.00 -0.02 0.00 0.00 39.34 38.76 1g9l n TYR 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1g9l s LYS 20 N -5.55 4.76 -0.66 -0.72 1.02 -1.26 -4.94 119.74 112.39 1g9l s LYS 20 Ca 0.67 1.59 -0.26 0.00 0.02 0.00 0.00 55.97 57.99 1g9l s LYS 20 Cb -0.03 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1g9l s LYS 20 CO 0.48 0.37 2.11 0.71 -0.92 0.00 0.00 175.35 178.10 1g9l s TYR 21 N -0.96 1.44 -0.17 3.18 2.02 -1.26 -4.78 117.35 116.83 1g9l s TYR 21 Ca 0.43 1.16 -0.14 0.00 -0.37 0.00 0.00 57.07 58.16 1g9l s TYR 21 Cb -0.27 -3.84 -0.09 0.00 -0.40 0.00 0.00 41.96 37.36 1g9l s TYR 21 CO 0.34 -2.16 -0.04 0.00 -1.57 0.00 0.00 175.55 172.12 1g9l n ALA 22 N 14.76 0.57 -2.02 3.71 0.00 -1.26 -4.81 120.51 131.46 1g9l n ALA 22 Ca 0.33 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1g9l n ALA 22 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 23 N -2.60 2.67 0.00 0.00 0.00 -1.26 -4.84 121.76 115.73 1g9l s ALA 23 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1g9l s ALA 23 Cb 0.03 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1g9l s ALA 23 CO 0.35 -2.98 0.00 0.41 0.00 0.00 0.00 175.76 173.54 1g9l n GLY 24 N 5.48 -0.24 3.52 0.00 0.00 -1.26 -4.99 105.19 107.70 1g9l n GLY 24 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1g9l n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 25 N -0.37 4.98 -1.15 1.61 1.01 -1.26 -5.02 120.40 120.21 1g9l s VAL 25 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1g9l s VAL 25 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1g9l s VAL 25 CO 0.00 0.16 1.80 -0.13 0.00 0.00 0.00 175.10 176.93 1g9l s ARG 26 N 1.69 3.13 -0.21 2.72 0.52 -1.26 -4.69 118.95 120.84 1g9l s ARG 26 Ca 0.06 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 53.82 1g9l s ARG 26 Cb -0.16 -5.32 -0.16 0.00 0.52 0.00 0.00 34.95 29.83 1g9l s ARG 26 CO 0.09 -3.09 0.06 0.09 0.02 0.00 0.00 175.30 172.47 1g9l n ASN 27 N 11.67 1.87 -4.55 0.23 3.02 -1.26 -4.79 115.26 121.45 1g9l n ASN 27 Ca 0.43 0.43 -0.38 0.00 -0.03 0.00 0.00 54.58 55.03 1g9l n ASN 27 Cb 0.47 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 1g9l n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1g9l s PRO 28 N -2.39 2.83 0.00 3.52 0.04 -1.26 -4.86 135.00 132.88 1g9l s PRO 28 Ca -0.29 0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1g9l s PRO 28 Cb 0.07 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1g9l s PRO 28 CO 0.53 -2.60 0.00 1.04 0.04 0.00 0.00 177.00 176.01 1g9l n GLN 29 N 9.20 0.00 -0.57 4.56 6.02 -1.26 -5.07 117.38 130.26 1g9l n GLN 29 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1g9l n GLN 29 Cb 0.51 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.64 1g9l n GLN 29 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1g9l n GLN 30 N -0.61 1.89 -0.26 -1.09 6.02 -1.26 -5.07 117.38 117.00 1g9l n GLN 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1g9l n GLN 30 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g9l n HIS 31 N -0.56 0.00 0.00 1.08 8.25 -1.26 -4.96 115.22 117.77 1g9l n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g9l n HIS 31 Cb 0.00 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1g9l n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1g9l n LEU 32 N 0.00 0.79 -4.04 2.41 4.32 -1.26 -4.77 117.00 114.45 1g9l n LEU 32 Ca 0.00 0.05 -0.40 0.00 -0.02 0.00 0.00 56.01 55.64 1g9l n LEU 32 Cb 0.55 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.19 1g9l n LEU 32 CO 0.00 -0.14 0.77 0.59 -1.22 0.00 0.00 177.39 177.39 1g9l n ASN 33 N -1.47 5.47 -4.70 -1.43 4.13 -1.26 -4.65 115.26 111.36 1g9l n ASN 33 Ca 0.00 -3.27 -0.42 0.00 1.68 0.00 0.00 54.58 52.57 1g9l n ASN 33 Cb 0.00 -1.19 -0.03 0.00 -1.54 0.00 0.00 39.78 37.03 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g9l s ALA 34 N -2.12 3.60 0.32 5.41 0.00 -1.26 -4.97 121.76 122.74 1g9l s ALA 34 Ca 0.31 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 1g9l s ALA 34 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1g9l s ALA 34 CO 0.00 -0.86 0.59 -0.65 0.00 0.00 0.00 175.76 174.84 1g9l s GLN 35 N 2.06 3.62 -0.09 0.00 -1.52 -1.26 -3.22 119.66 119.26 1g9l s GLN 35 Ca 0.66 0.02 -0.21 0.00 -1.95 0.00 0.00 55.36 53.88 1g9l s GLN 35 Cb -0.35 -2.61 -0.17 0.00 -0.22 0.00 0.00 33.01 29.66 1g9l s GLN 35 CO 0.29 0.16 0.73 -1.35 -0.25 0.00 0.00 175.29 174.86 1g9l h PRO 36 N 1.44 -0.08 -6.46 2.91 0.11 -2.07 -3.48 132.00 124.37 1g9l h PRO 36 Ca -0.48 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1g9l h PRO 36 Cb 1.19 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1g9l h PRO 36 CO 0.65 0.49 0.37 -0.65 -0.21 0.00 0.00 178.00 178.66 1g9l s GLN 37 N -2.75 4.60 0.62 1.05 -1.52 -1.26 -5.04 119.66 115.36 1g9l s GLN 37 Ca -0.13 1.44 -0.10 0.00 -1.95 0.00 0.00 55.36 54.61 1g9l s GLN 37 Cb -0.01 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1g9l s GLN 37 CO 0.49 0.02 1.01 0.08 -0.25 0.00 0.00 175.29 176.65 1g9l s VAL 38 N 0.71 4.55 -0.52 1.09 1.01 -1.20 -4.69 120.40 121.35 1g9l s VAL 38 Ca 0.51 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1g9l s VAL 38 Cb -0.22 -3.81 0.55 0.00 0.00 0.00 0.00 36.38 32.90 1g9l s VAL 38 CO 0.29 -1.04 1.95 0.41 0.00 0.00 0.00 175.10 176.70 1g9l n THR 39 N -2.74 3.31 -3.34 3.92 -1.04 -1.26 -4.97 114.28 108.16 1g9l n THR 39 Ca 0.06 -2.26 -0.23 0.00 -2.04 0.00 0.00 64.05 59.58 1g9l n THR 39 Cb 0.55 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.26 1g9l n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l s MET 40 N -3.37 3.38 0.44 -2.82 0.23 -1.26 -5.12 119.30 110.78 1g9l s MET 40 Ca 0.58 -0.42 0.03 0.00 -1.03 0.00 0.00 55.69 54.85 1g9l s MET 40 Cb 0.47 -2.66 -0.02 0.00 -1.53 0.00 0.00 34.83 31.09 1g9l s MET 40 CO 0.06 0.08 0.12 -0.65 -2.03 0.00 0.00 175.02 172.60 1g9l s GLN 41 N -4.34 2.01 -0.18 3.16 -1.52 -1.26 -5.18 119.66 112.36 1g9l s GLN 41 Ca 0.41 -2.25 -0.28 0.00 -1.95 0.00 0.00 55.36 51.30 1g9l s GLN 41 Cb -0.10 -0.72 0.09 0.00 -0.22 0.00 0.00 33.01 32.07 1g9l s GLN 41 CO 0.36 -0.50 0.83 1.14 -0.25 0.00 0.00 175.29 176.87 1g9l s GLN 42 N -3.70 0.78 -1.12 2.91 -2.07 -1.26 -5.09 119.66 110.11 1g9l s GLN 42 Ca 0.19 0.50 -0.22 0.00 -1.82 0.00 0.00 55.36 54.01 1g9l s GLN 42 Cb 0.02 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1g9l s GLN 42 CO 0.13 -0.18 1.80 -1.25 -1.32 0.00 0.00 175.29 174.47 1g9l s PRO 43 N -0.47 3.07 1.04 9.60 0.04 -1.26 -4.97 135.00 142.06 1g9l s PRO 43 Ca -0.03 -1.15 -0.17 0.00 0.04 0.00 0.00 61.00 59.69 1g9l s PRO 43 Cb -0.02 -5.29 0.22 0.00 0.04 0.00 0.00 34.50 29.44 1g9l s PRO 43 CO 0.02 -3.10 1.21 0.00 0.04 0.00 0.00 177.00 175.17 1g9l s ALA 44 N 8.06 1.54 -0.75 8.56 0.00 -1.26 -4.95 121.76 132.96 1g9l s ALA 44 Ca 0.61 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.69 1g9l s ALA 44 Cb -0.01 -2.86 0.50 0.00 0.00 0.00 0.00 23.12 20.75 1g9l s ALA 44 CO 0.04 -2.84 1.30 0.28 0.00 0.00 0.00 175.76 174.54 1g9l n VAL 45 N -4.14 1.57 -2.66 0.00 0.31 -1.26 -4.89 118.33 107.27 1g9l n VAL 45 Ca 0.13 -0.84 -0.43 0.00 -0.01 0.00 0.00 64.34 63.19 1g9l n VAL 45 Cb 0.59 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 1g9l n VAL 45 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1g9l s HIS 46 N -2.00 3.22 0.49 3.52 5.04 -1.26 -5.03 115.29 119.27 1g9l s HIS 46 Ca 0.34 1.28 0.08 0.00 -1.54 0.00 0.00 55.06 55.22 1g9l s HIS 46 Cb 0.25 -3.53 0.08 0.00 0.04 0.00 0.00 32.58 29.41 1g9l s HIS 46 CO 0.12 -0.66 0.63 1.33 -2.34 0.00 0.00 174.74 173.82 1g9l n VAL 47 N 5.67 0.00 -2.49 0.89 0.24 -1.26 -5.14 118.33 116.24 1g9l n VAL 47 Ca 0.12 -1.68 -0.23 0.00 -2.04 0.00 0.00 64.34 60.51 1g9l n VAL 47 Cb 0.47 -0.51 0.13 0.00 -1.47 0.00 0.00 33.84 32.45 1g9l n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g9l n GLN 48 N -2.01 -0.25 -2.89 7.34 6.02 -1.26 -5.04 117.38 119.30 1g9l n GLN 48 Ca 0.12 -2.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.19 1g9l n GLN 48 Cb 0.52 -0.73 -0.04 0.00 1.02 0.00 0.00 30.24 31.00 1g9l n GLN 48 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g9l s GLY 49 N -5.09 1.73 -0.21 1.08 0.00 -1.26 -4.93 107.32 98.64 1g9l s GLY 49 Ca 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.15 1g9l s GLY 49 CO 0.43 1.82 1.98 -1.06 0.00 0.00 0.00 173.10 176.27 1g9l n GLN 50 N 6.11 1.53 -0.02 2.90 1.13 -1.26 -4.42 117.38 123.35 1g9l n GLN 50 Ca 0.05 -1.04 -0.13 0.00 -1.94 0.00 0.00 57.00 53.95 1g9l n GLN 50 Cb 0.48 -1.41 -0.10 0.00 0.11 0.00 0.00 30.24 29.32 1g9l n GLN 50 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1g9l h GLU 51 N 1.27 -0.03 -7.02 -1.09 4.39 -2.03 -3.47 114.58 106.60 1g9l h GLU 51 Ca 0.19 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.50 1g9l h GLU 51 Cb 0.97 0.01 0.22 0.00 -0.10 0.00 0.00 28.75 29.85 1g9l h GLU 51 CO 0.50 0.60 -0.11 -2.14 -1.16 0.00 0.00 179.01 176.69 1g9l s PRO 52 N -3.49 -2.62 0.24 2.33 0.02 -1.26 -4.94 135.00 125.29 1g9l s PRO 52 Ca -0.16 0.36 -0.30 0.00 0.02 0.00 0.00 61.00 60.92 1g9l s PRO 52 Cb 0.00 -1.39 -0.09 0.00 0.02 0.00 0.00 34.50 33.03 1g9l s PRO 52 CO 0.64 -4.72 1.28 -1.17 -0.33 0.00 0.00 177.00 172.70 1g9l s LEU 53 N -7.80 4.44 0.00 -5.54 1.98 -1.26 -4.78 118.68 105.72 1g9l s LEU 53 Ca 0.68 2.45 -0.20 0.00 -2.89 0.00 0.00 54.13 54.18 1g9l s LEU 53 Cb -0.17 -3.62 0.07 0.00 0.66 0.00 0.00 46.19 43.12 1g9l s LEU 53 CO 0.60 -0.48 0.94 0.41 -1.89 0.00 0.00 176.35 175.94 1g9l n THR 54 N 2.00 0.00 -0.24 3.68 -1.04 -1.26 -4.86 114.28 112.56 1g9l n THR 54 Ca 0.04 -0.45 0.22 0.00 -2.04 0.00 0.00 64.05 61.82 1g9l n THR 54 Cb 0.43 0.66 0.57 0.00 -1.82 0.00 0.00 70.33 70.17 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 2.40 -0.09 2.41 0.00 -1.64 -0.36 119.26 123.98 1g9l h ALA 55 Ca -0.23 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1g9l h ALA 55 Cb 1.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 55 CO 0.32 -0.69 -0.05 1.03 0.00 0.00 0.00 179.25 179.85 1g9l h SER 56 N 0.28 0.21 -0.83 0.00 0.87 -1.88 -0.34 113.55 111.87 1g9l h SER 56 Ca 0.47 -0.43 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1g9l h SER 56 Cb 1.38 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.23 1g9l h SER 56 CO -0.14 0.60 0.54 0.24 -0.53 0.00 0.00 176.83 177.54 1g9l h MET 57 N -0.18 0.94 -0.37 2.24 2.07 -1.43 -1.53 114.93 116.67 1g9l h MET 57 Ca 0.02 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.54 1g9l h MET 57 Cb 0.52 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 1g9l h MET 57 CO 0.02 0.62 0.01 -0.07 1.07 0.00 0.00 176.91 178.56 1g9l h LEU 58 N 0.97 0.63 0.00 1.22 3.38 -1.01 -1.96 115.31 118.53 1g9l h LEU 58 Ca 0.34 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1g9l h LEU 58 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1g9l h LEU 58 CO -0.11 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1g9l n ALA 59 N -2.39 1.44 1.34 1.53 0.00 -0.15 -1.51 120.51 120.77 1g9l n ALA 59 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 59 Cb 0.27 -1.15 0.72 0.00 0.00 0.00 0.00 19.45 19.29 1g9l n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g9l n SER 60 N -1.48 0.00 -3.69 0.00 7.64 -0.69 -4.45 113.62 110.95 1g9l n SER 60 Ca 0.02 -0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 1g9l n SER 60 Cb 0.11 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l s ALA 61 N -2.58 1.60 1.06 -0.43 0.00 -0.57 -5.11 121.76 115.73 1g9l s ALA 61 Ca 0.27 -1.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 1g9l s ALA 61 Cb 0.19 -1.69 0.18 0.00 0.00 0.00 0.00 23.12 21.81 1g9l s ALA 61 CO 0.44 -1.83 0.33 -2.30 0.00 0.00 0.00 175.76 172.40 1g9l n PRO 62 N 4.41 -2.44 -0.23 0.00 -0.02 -1.26 -3.46 135.00 132.00 1g9l n PRO 62 Ca 0.02 -0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 60.78 1g9l n PRO 62 Cb 0.39 -1.53 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1g9l n PRO 62 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1g9l n PRO 63 N -2.15 0.00 0.00 0.52 -0.02 -1.26 -3.91 135.00 128.18 1g9l n PRO 63 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1g9l n PRO 63 Cb 0.40 -0.21 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1g9l n PRO 63 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1g9l n GLN 64 N 0.99 0.00 -0.12 -0.52 7.27 -1.26 -4.95 117.38 118.79 1g9l n GLN 64 Ca 0.02 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.17 1g9l n GLN 64 Cb 0.10 0.00 0.14 0.00 2.41 0.00 0.00 30.24 32.89 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1g9l n GLU 65 N -0.63 1.99 0.34 3.69 -0.58 -1.25 -4.48 120.64 119.71 1g9l n GLU 65 Ca 0.00 -1.85 0.20 0.00 -0.42 0.00 0.00 57.16 55.09 1g9l n GLU 65 Cb 0.00 -1.34 1.07 0.00 -0.57 0.00 0.00 31.44 30.60 1g9l n GLU 65 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1g9l h GLN 66 N 2.97 0.00 0.00 3.49 4.20 -1.76 -1.01 115.11 123.00 1g9l h GLN 66 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1g9l h GLN 66 Cb 0.74 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.29 1g9l h GLN 66 CO 0.00 0.00 -0.78 0.36 -0.67 0.00 0.00 178.83 177.74 1g9l n LYS 67 N -3.04 0.41 0.00 1.46 2.85 -1.26 -4.82 118.16 113.76 1g9l n LYS 67 Ca -0.03 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1g9l n LYS 67 Cb 0.19 -0.50 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1g9l n GLN 68 N -0.03 0.00 -0.00 -1.58 1.13 -0.53 -4.85 117.38 111.52 1g9l n GLN 68 Ca 0.08 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.25 1g9l n GLN 68 Cb 0.95 -0.15 0.63 0.00 0.11 0.00 0.00 30.24 31.78 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n MET 69 N -2.57 1.06 0.06 -1.09 0.00 -0.50 -2.88 117.12 111.19 1g9l n MET 69 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 57.70 57.50 1g9l n MET 69 Cb 0.12 -1.35 -0.03 0.00 0.00 0.00 0.00 33.22 31.97 1g9l n MET 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1g9l h LEU 70 N 0.18 0.49 -2.86 3.17 -0.00 -1.88 -3.04 115.31 111.36 1g9l h LEU 70 Ca 0.00 -0.38 -0.06 0.00 -0.00 0.00 0.00 57.88 57.44 1g9l h LEU 70 Cb 0.04 -0.15 -0.12 0.00 -0.00 0.00 0.00 40.66 40.42 1g9l h LEU 70 CO 0.00 1.17 -0.59 0.61 -0.00 0.00 0.00 178.44 179.63 1g9l n GLY 71 N 0.85 3.15 0.00 0.83 0.00 -1.22 -4.46 105.19 104.34 1g9l n GLY 71 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.50 0.00 0.00 1.61 1.02 -1.14 -3.90 120.64 117.73 1g9l n GLU 72 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1g9l n GLU 72 Cb 0.83 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 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 0.00 2.20 0.17 3.49 0.00 -1.15 -4.68 116.66 116.69 1g9l n ARG 73 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 1g9l n ARG 73 Cb 0.22 -0.82 0.15 0.00 0.00 0.00 0.00 32.46 32.00 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 -0.84 6.15 3.38 -1.77 -3.37 115.31 118.86 1g9l h LEU 74 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1g9l h LEU 74 Cb 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1g9l h LEU 74 CO 0.00 0.35 -0.34 0.33 0.09 0.00 0.00 178.44 178.86 1g9l n PHE 75 N -3.24 -0.01 0.24 1.13 7.35 -1.26 1.00 117.46 122.67 1g9l n PHE 75 Ca 0.02 1.03 0.13 0.00 -0.76 0.00 0.00 57.45 57.87 1g9l n PHE 75 Cb 0.63 -0.79 0.51 0.00 0.35 0.00 0.00 39.48 40.17 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1g9l h PRO 76 N 0.00 0.00 0.00 -7.13 0.13 -1.94 -3.01 132.00 120.05 1g9l h PRO 76 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1g9l h PRO 76 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1g9l h PRO 76 CO -0.83 0.12 -0.89 -0.07 -0.23 0.00 0.00 178.00 176.11 1g9l h LEU 77 N 0.00 0.00 -0.13 1.56 3.38 0.43 -3.34 115.31 117.20 1g9l h LEU 77 Ca -0.00 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1g9l h LEU 77 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1g9l h LEU 77 CO 0.02 0.02 -0.81 0.40 0.09 0.00 0.00 178.44 178.16 1g9l h ILE 78 N 0.00 1.28 0.00 1.22 1.08 0.01 -2.71 117.51 118.39 1g9l h ILE 78 Ca 0.00 -2.00 0.00 0.00 -0.39 0.00 0.00 64.86 62.47 1g9l h ILE 78 Cb 0.95 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 1g9l h ILE 78 CO 0.00 0.63 0.26 1.56 -0.69 0.00 0.00 178.15 179.91 1g9l h GLN 79 N 0.52 0.00 0.18 2.37 4.20 -1.67 0.51 115.11 121.21 1g9l h GLN 79 Ca -0.06 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.34 1g9l h GLN 79 Cb 1.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.25 1g9l h GLN 79 CO 0.17 0.00 -1.34 0.00 -0.67 0.00 0.00 178.83 176.99 1g9l h ALA 80 N 1.39 -0.02 -0.07 3.87 0.00 -1.65 -3.14 119.26 119.65 1g9l h ALA 80 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 1g9l h ALA 80 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1g9l h ALA 80 CO 0.00 0.80 -0.19 0.52 0.00 0.00 0.00 179.25 180.39 1g9l h MET 81 N 0.14 0.24 -6.55 0.00 2.86 -0.05 -3.45 114.93 108.12 1g9l h MET 81 Ca -0.19 -0.17 -0.67 0.00 -2.06 0.00 0.00 59.70 56.60 1g9l h MET 81 Cb 2.04 0.03 -0.17 0.00 0.06 0.00 0.00 31.60 33.56 1g9l h MET 81 CO 0.24 0.79 -0.75 -1.01 1.06 0.00 0.00 176.91 177.24 1g9l s HIS 82 N -3.82 2.72 -0.87 -0.22 4.02 -0.68 -5.01 115.29 111.42 1g9l s HIS 82 Ca -0.15 -0.16 -0.22 0.00 1.02 0.00 0.00 55.06 55.55 1g9l s HIS 82 Cb 0.03 -1.44 -0.20 0.00 -1.02 0.00 0.00 32.58 29.95 1g9l s HIS 82 CO 0.74 0.40 1.90 -2.30 1.02 0.00 0.00 174.74 176.51 1g9l n PRO 83 N 0.87 0.07 -3.27 8.40 -0.02 -1.26 -3.29 135.00 136.49 1g9l n PRO 83 Ca -0.14 -1.38 -0.20 0.00 -2.02 0.00 0.00 63.50 59.76 1g9l n PRO 83 Cb 0.52 -3.39 -0.02 0.00 -0.02 0.00 0.00 33.50 30.60 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 8.24 -0.52 1.05 3.45 -2.24 -1.19 -4.78 114.28 118.29 1g9l n THR 84 Ca 0.34 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.20 1g9l n THR 84 Cb 0.47 -1.12 0.28 0.00 -2.10 0.00 0.00 70.33 67.86 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 -3.39 1.79 -1.85 3.22 4.77 -1.21 -4.44 117.00 115.90 1g9l n LEU 85 Ca 0.00 -0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 55.07 1g9l n LEU 85 Cb 0.52 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1g9l n LEU 85 CO 0.43 0.41 1.43 0.00 -1.33 0.00 0.00 177.39 178.33 1g9l n ALA 86 N 0.43 5.65 1.13 -1.18 0.00 -1.26 -4.23 120.51 121.04 1g9l n ALA 86 Ca 0.14 -1.28 0.14 0.00 0.00 0.00 0.00 53.44 52.44 1g9l n ALA 86 Cb 0.32 -1.91 0.56 0.00 0.00 0.00 0.00 19.45 18.41 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 2.18 -1.32 0.60 0.00 0.00 -1.26 -4.37 105.19 101.02 1g9l n GLY 87 Ca 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1g9l n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1g9l n LYS 88 N -1.37 0.00 0.00 1.61 3.00 -1.26 -5.05 118.16 115.09 1g9l n LYS 88 Ca 0.09 -0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1g9l n LYS 88 Cb 0.32 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.80 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 -0.34 3.15 5.41 -1.26 -3.62 119.36 122.71 1g9l n ILE 89 Ca -0.07 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.80 1g9l n ILE 89 Cb 0.36 -0.01 0.31 0.00 -0.71 0.00 0.00 39.64 39.59 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 0.66 -0.57 1.39 2.02 -1.91 0.57 112.91 115.07 1g9l h THR 90 Ca 0.00 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 67.09 1g9l h THR 90 Cb 0.00 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1g9l h THR 90 CO 0.00 0.12 0.40 1.23 0.37 0.00 0.00 175.52 177.64 1g9l h GLY 91 N 0.67 0.25 1.50 2.16 0.00 -1.81 0.28 103.07 106.12 1g9l h GLY 91 Ca 0.57 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 1g9l h GLY 91 CO -0.41 0.03 -0.73 1.98 0.00 0.00 0.00 176.54 177.41 1g9l h MET 92 N 0.16 0.00 0.00 4.80 1.85 0.01 -3.20 114.93 118.55 1g9l h MET 92 Ca 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 1g9l h MET 92 Cb 0.86 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.89 1g9l h MET 92 CO -0.04 0.21 0.00 1.28 -0.40 0.00 0.00 176.91 177.96 1g9l n LEU 93 N -2.98 0.00 -1.40 3.39 7.99 0.97 0.83 117.00 125.80 1g9l n LEU 93 Ca -0.01 0.29 -0.05 0.00 -0.01 0.00 0.00 56.01 56.23 1g9l n LEU 93 Cb 0.67 -0.29 0.23 0.00 -0.11 0.00 0.00 43.42 43.91 1g9l n LEU 93 CO 0.39 -0.26 0.85 0.18 -1.51 0.00 0.00 177.39 177.04 1g9l n LEU 94 N -1.29 4.80 0.00 2.23 4.32 -1.19 -3.95 117.00 121.91 1g9l n LEU 94 Ca 0.01 -3.50 0.00 0.00 -0.02 0.00 0.00 56.01 52.51 1g9l n LEU 94 Cb 0.02 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 1g9l n LEU 94 CO 0.02 1.03 0.00 -1.84 -1.22 0.00 0.00 177.39 175.38 1g9l n GLU 95 N -0.84 0.00 0.00 3.23 0.28 0.24 -5.09 120.64 118.46 1g9l n GLU 95 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1g9l n GLU 95 Cb 1.16 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.03 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 0.19 -4.66 119.36 118.73 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 0.17 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 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 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1g9l n ASP 97 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.18 0.00 0.17 1.67 4.13 -1.26 -4.65 115.26 114.14 1g9l n ASN 98 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1g9l n ASN 98 Cb 0.01 -0.01 0.24 0.00 -1.54 0.00 0.00 39.78 38.48 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g9l h SER 99 N 0.00 0.00 1.26 6.41 0.02 -1.97 -1.11 113.55 118.15 1g9l h SER 99 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.46 -0.76 -0.33 -1.14 0.00 0.00 176.83 175.06 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 4.39 -1.92 -0.09 114.58 120.40 1g9l h GLU 100 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1g9l h GLU 100 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1g9l h GLU 100 CO 0.06 0.61 -0.39 1.25 -1.16 0.00 0.00 179.01 179.37 1g9l h LEU 101 N 0.00 0.00 0.03 1.33 5.85 -1.60 -2.31 115.31 118.60 1g9l h LEU 101 Ca -0.03 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 1g9l h LEU 101 Cb 1.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1g9l h LEU 101 CO 0.08 0.39 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.49 1g9l h LEU 102 N 0.00 0.09 -0.64 2.25 3.38 -1.11 -3.33 115.31 115.95 1g9l h LEU 102 Ca -0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1g9l h LEU 102 Cb 1.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1g9l h LEU 102 CO 0.05 1.41 0.29 -0.74 0.09 0.00 0.00 178.44 179.54 1g9l h HIS 103 N -0.83 0.95 -0.59 1.13 2.76 -1.09 -2.27 115.15 115.21 1g9l h HIS 103 Ca -0.26 -0.06 0.09 0.00 -2.20 0.00 0.00 60.37 57.95 1g9l h HIS 103 Cb 1.35 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 1g9l h HIS 103 CO 0.15 0.73 0.40 0.00 -1.30 0.00 0.00 177.93 177.90 1g9l h MET 104 N 0.89 0.40 0.00 5.26 -0.00 -1.59 0.25 114.93 120.13 1g9l h MET 104 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 1g9l h MET 104 Cb 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1g9l h MET 104 CO -0.02 0.26 -0.35 1.28 -0.00 0.00 0.00 176.91 178.08 1g9l n LEU 105 N -4.47 0.36 -0.06 -0.10 4.77 -0.97 -3.12 117.00 113.41 1g9l n LEU 105 Ca 0.09 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1g9l n LEU 105 Cb 0.36 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1g9l n LEU 105 CO 0.34 0.07 0.03 -1.84 -1.33 0.00 0.00 177.39 174.66 1g9l n GLU 106 N -1.54 2.82 -3.80 3.23 -0.00 0.46 -4.79 120.64 117.02 1g9l n GLU 106 Ca 0.06 -0.14 -0.14 0.00 -0.00 0.00 0.00 57.16 56.94 1g9l n GLU 106 Cb 0.34 -1.09 -0.15 0.00 -0.00 0.00 0.00 31.44 30.55 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -2.02 0.01 0.00 -1.84 0.15 0.57 -5.01 113.70 105.57 1g9l s SER 107 Ca 0.06 0.08 0.11 0.00 0.70 0.00 0.00 55.95 56.90 1g9l s SER 107 Cb 0.09 0.01 0.69 0.00 -1.71 0.00 0.00 66.02 65.09 1g9l s SER 107 CO 0.46 -0.09 1.15 -0.81 1.20 0.00 0.00 173.24 175.14 1g9l n PRO 108 N 3.81 0.57 0.00 5.44 -0.04 -1.26 -1.93 135.00 141.59 1g9l n PRO 108 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1g9l n PRO 108 Cb 0.54 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g9l n GLU 109 N -0.81 4.43 0.01 0.54 1.02 -1.26 -4.69 120.64 119.87 1g9l n GLU 109 Ca 0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.05 1g9l n GLU 109 Cb 0.04 -0.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.93 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 0.34 -0.99 1.62 0.02 -1.63 0.16 113.55 113.08 1g9l h SER 110 Ca 0.00 -0.92 0.26 0.00 -0.84 0.00 0.00 61.79 60.29 1g9l h SER 110 Cb 0.00 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.30 1g9l h SER 110 CO 0.00 1.24 0.55 0.25 -1.14 0.00 0.00 176.83 177.73 1g9l h LEU 111 N -0.50 0.58 0.00 5.07 7.12 -1.58 0.76 115.31 126.77 1g9l h LEU 111 Ca -0.09 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.07 1g9l h LEU 111 Cb 1.39 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.60 1g9l h LEU 111 CO 0.10 0.03 -0.02 -0.09 -0.13 0.00 0.00 178.44 178.33 1g9l h ARG 112 N 0.49 0.00 0.16 1.25 2.43 -1.83 -2.98 114.38 113.91 1g9l h ARG 112 Ca 0.65 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1g9l h ARG 112 Cb 1.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1g9l h ARG 112 CO -0.52 0.27 -0.38 1.03 -1.51 0.00 0.00 179.97 178.86 1g9l h SER 113 N -1.00 -1.10 -0.67 -3.80 0.87 -0.18 0.86 113.55 108.53 1g9l h SER 113 Ca -0.00 0.12 0.15 0.00 -1.23 0.00 0.00 61.79 60.82 1g9l h SER 113 Cb 0.28 0.41 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1g9l h SER 113 CO -0.00 -0.47 0.46 0.11 -0.53 0.00 0.00 176.83 176.39 1g9l h LYS 114 N -0.64 0.27 0.33 2.24 1.79 0.35 0.29 116.57 121.21 1g9l h LYS 114 Ca 0.02 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1g9l h LYS 114 Cb 0.65 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1g9l h LYS 114 CO -0.20 0.18 -0.16 0.28 -1.08 0.00 0.00 179.45 178.47 1g9l h VAL 115 N 0.28 0.25 -0.59 0.50 2.07 -1.10 0.53 116.25 118.19 1g9l h VAL 115 Ca 0.32 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.25 1g9l h VAL 115 Cb 0.87 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1g9l h VAL 115 CO -0.08 0.06 0.41 -0.78 0.02 0.00 0.00 177.57 177.21 1g9l h ASP 116 N -1.06 0.14 0.82 0.57 3.58 -0.46 0.41 116.42 120.42 1g9l h ASP 116 Ca -0.05 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.17 1g9l h ASP 116 Cb 0.45 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1g9l h ASP 116 CO 0.08 0.07 -1.12 -0.33 -2.88 0.00 0.00 179.24 175.06 1g9l h GLU 117 N 0.15 0.14 0.00 0.28 4.39 -0.43 -3.06 114.58 116.04 1g9l h GLU 117 Ca 0.28 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1g9l h GLU 117 Cb 0.92 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1g9l h GLU 117 CO -0.04 1.11 -0.04 0.00 -1.16 0.00 0.00 179.01 178.88 1g9l h ALA 118 N 0.79 1.02 -0.09 3.43 0.00 0.41 -2.32 119.26 122.50 1g9l h ALA 118 Ca -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1g9l h ALA 118 Cb 1.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1g9l h ALA 118 CO 0.17 0.05 -0.08 0.28 0.00 0.00 0.00 179.25 179.67 1g9l h VAL 119 N 0.00 1.36 -0.04 0.00 2.07 -0.56 1.26 116.25 120.34 1g9l h VAL 119 Ca -0.00 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1g9l h VAL 119 Cb 0.51 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1g9l h VAL 119 CO 0.01 0.34 0.04 0.00 0.02 0.00 0.00 177.57 177.98 1g9l h ALA 120 N 0.58 1.61 0.09 1.67 0.00 -1.45 0.42 119.26 122.19 1g9l h ALA 120 Ca 0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1g9l h ALA 120 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1g9l h ALA 120 CO 0.02 -0.06 -1.60 0.28 0.00 0.00 0.00 179.25 177.88 1g9l h VAL 121 N 0.00 1.05 -0.18 0.00 2.07 -0.98 -1.74 116.25 116.46 1g9l h VAL 121 Ca 0.02 -2.74 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 1g9l h VAL 121 Cb 0.11 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1g9l h VAL 121 CO -0.00 0.77 -0.28 0.25 0.02 0.00 0.00 177.57 178.34 1g9l h LEU 122 N 0.05 0.35 0.00 2.57 5.85 0.34 0.45 115.31 124.93 1g9l h LEU 122 Ca -0.26 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.18 1g9l h LEU 122 Cb 2.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 1g9l h LEU 122 CO 0.13 0.62 -0.78 1.56 -0.34 0.00 0.00 178.44 179.64 1g9l h GLN 123 N 0.31 0.00 -0.29 1.25 1.08 -0.34 -0.54 115.11 116.57 1g9l h GLN 123 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1g9l h GLN 123 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1g9l h GLN 123 CO 0.05 0.71 0.00 0.00 -0.95 0.00 0.00 178.83 178.64 1g9l n ALA 124 N -2.29 2.46 0.00 3.87 0.00 -0.66 -1.74 120.51 122.16 1g9l n ALA 124 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1g9l n ALA 124 Cb 0.84 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N 0.43 0.00 -0.04 0.00 -0.00 0.07 -4.50 115.22 111.18 1g9l n HIS 125 Ca 0.12 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.28 1g9l n HIS 125 Cb 0.29 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.15 1g9l n HIS 125 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1g9l h GLN 126 N 0.00 0.00 -0.65 1.57 1.08 -1.18 -3.41 115.11 112.52 1g9l h GLN 126 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1g9l h GLN 126 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1g9l h GLN 126 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1g9l n ALA 127 N -3.10 3.23 -1.00 3.87 0.00 -0.82 -4.66 120.51 118.03 1g9l n ALA 127 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1g9l n ALA 127 Cb 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1g9l n ALA 127 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1g9l n LYS 128 N 0.68 2.82 -0.02 0.00 2.85 -0.71 -4.79 118.16 118.99 1g9l n LYS 128 Ca 0.21 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.47 1g9l n LYS 128 Cb 0.83 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.23 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1g9l n GLU 129 N 0.00 1.10 0.31 -1.58 1.02 -1.26 -3.88 120.64 116.34 1g9l n GLU 129 Ca 0.00 -0.15 0.19 0.00 -0.02 0.00 0.00 57.16 57.19 1g9l n GLU 129 Cb 0.00 -1.05 1.03 0.00 -0.02 0.00 0.00 31.44 31.40 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g9l h ALA 130 N 3.04 1.30 -3.24 0.62 0.00 -1.85 -3.43 119.26 115.72 1g9l h ALA 130 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1g9l h ALA 130 Cb 0.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1g9l h ALA 130 CO 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 179.25 179.15 1g9l n ALA 131 N -2.14 -0.04 -0.67 0.00 0.00 -1.25 -5.06 120.51 111.35 1g9l n ALA 131 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1g9l n ALA 131 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1g9l n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g9l n GLN 132 N -1.10 0.00 -1.93 0.00 6.02 -1.26 -4.72 117.38 114.39 1g9l n GLN 132 Ca 0.01 0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1g9l n GLN 132 Cb 0.02 -0.89 -0.03 0.00 1.02 0.00 0.00 30.24 30.37 1g9l n GLN 132 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1g9l s LYS 133 N -0.92 4.14 -0.24 -1.09 3.01 -1.26 -4.88 119.74 118.51 1g9l s LYS 133 Ca 0.00 2.26 -0.01 0.00 -1.01 0.00 0.00 55.97 57.21 1g9l s LYS 133 Cb 0.00 -4.03 0.12 0.00 -1.01 0.00 0.00 37.83 32.91 1g9l s LYS 133 CO 0.00 -0.90 2.18 0.00 0.51 0.00 0.00 175.35 177.13 1g9l n ALA 134 N 7.34 5.05 -2.36 5.17 0.00 -1.26 -4.91 120.51 129.55 1g9l n ALA 134 Ca 0.18 -1.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.02 1g9l n ALA 134 Cb 0.42 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1g9l n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1g9l s VAL 135 N -1.56 3.83 -1.25 0.00 1.01 -1.26 -5.02 120.40 116.15 1g9l s VAL 135 Ca 0.28 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1g9l s VAL 135 Cb 0.20 -3.33 0.18 0.00 0.00 0.00 0.00 36.38 33.43 1g9l s VAL 135 CO -0.03 -0.14 2.12 0.59 0.00 0.00 0.00 175.10 177.65 1g9l n ASN 136 N -1.74 7.21 -4.99 3.32 3.02 -1.26 -4.96 115.26 115.86 1g9l n ASN 136 Ca 0.02 -3.25 -0.19 0.00 -0.03 0.00 0.00 54.58 51.13 1g9l n ASN 136 Cb 0.58 -1.35 0.02 0.00 -0.61 0.00 0.00 39.78 38.42 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g9l s SER 137 N 0.02 5.30 0.37 6.41 0.01 -1.26 -5.08 113.70 119.48 1g9l s SER 137 Ca 0.47 -0.67 -0.27 0.00 1.31 0.00 0.00 55.95 56.78 1g9l s SER 137 Cb 0.16 -0.27 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 1g9l s SER 137 CO -0.06 -0.95 1.32 0.00 0.41 0.00 0.00 173.24 173.96 1g9l s ALA 138 N -2.50 3.40 0.24 1.44 0.00 -1.26 -5.03 121.76 118.05 1g9l s ALA 138 Ca 0.54 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1g9l s ALA 138 Cb -0.07 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1g9l s ALA 138 CO 0.33 -0.75 0.34 0.95 0.00 0.00 0.00 175.76 176.62 1g9l s THR 139 N -1.19 5.15 -0.71 0.00 -4.23 -1.26 -5.05 115.64 108.34 1g9l s THR 139 Ca 0.53 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 1g9l s THR 139 Cb -0.39 -3.79 0.06 0.00 1.34 0.00 0.00 72.50 69.71 1g9l s THR 139 CO 0.52 -0.33 1.08 -0.83 -0.54 0.00 0.00 174.62 174.52 1g9l s GLY 140 N -3.95 1.26 -0.24 3.99 0.00 -1.26 -4.84 107.32 102.27 1g9l s GLY 140 Ca 0.34 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1g9l s GLY 140 CO 0.28 2.25 -0.22 -0.62 0.00 0.00 0.00 173.10 174.79 1g9l n VAL 141 N 6.06 1.52 -1.12 1.40 0.31 -1.26 -5.00 118.33 120.24 1g9l n VAL 141 Ca 0.01 -0.21 -0.29 0.00 -0.01 0.00 0.00 64.34 63.84 1g9l n VAL 141 Cb 0.47 -2.00 0.16 0.00 -0.91 0.00 0.00 33.84 31.55 1g9l n VAL 141 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1g9l s PRO 142 N -2.51 0.92 -0.02 5.55 0.04 -1.26 -5.05 135.00 132.67 1g9l s PRO 142 Ca -0.34 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 61.49 1g9l s PRO 142 Cb 0.11 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1g9l s PRO 142 CO 0.49 -2.47 0.08 -0.08 0.04 0.00 0.00 177.00 175.06 1g9l s THR 143 N -2.89 4.72 0.00 1.26 -1.32 -1.26 -5.25 115.64 110.91 1g9l s THR 143 Ca 0.64 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1g9l s THR 143 Cb -0.19 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.67 1g9l s THR 143 CO 0.58 0.39 0.00 1.33 -2.21 0.00 0.00 174.62 174.71