#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g s SER 2 N 0.00 -0.26 0.00 1.61 0.15 -1.26 -5.09 113.70 108.86 1x5g s SER 2 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1x5g s SER 2 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1x5g s SER 2 CO 0.00 -0.37 0.00 -1.54 1.20 0.00 0.00 173.24 172.53 1x5g n SER 3 N 0.08 0.01 0.00 5.45 3.41 -1.26 -5.17 113.62 116.14 1x5g n SER 3 Ca -0.05 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1x5g n SER 3 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1x5g n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5g n GLY 4 N 2.10 -1.22 3.54 5.00 0.00 -1.26 -5.09 105.19 108.26 1x5g n GLY 4 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g s SER 5 N -4.00 0.67 -0.01 1.61 0.01 -1.26 -5.19 113.70 105.53 1x5g s SER 5 Ca 0.00 -1.37 -0.30 0.00 1.31 0.00 0.00 55.95 55.59 1x5g s SER 5 Cb 0.00 0.67 0.10 0.00 0.21 0.00 0.00 66.02 67.01 1x5g s SER 5 CO 0.00 -1.32 1.03 -0.55 0.41 0.00 0.00 173.24 172.81 1x5g s SER 6 N -3.19 -0.23 0.00 2.44 0.15 -1.26 -5.07 113.70 106.55 1x5g s SER 6 Ca 0.28 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1x5g s SER 6 Cb -0.01 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1x5g s SER 6 CO 0.18 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x5g n GLY 7 N -0.30 0.87 2.23 9.45 0.00 -1.26 -5.05 105.19 111.13 1x5g n GLY 7 Ca -0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1x5g n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x5g n ARG 8 N 0.00 3.21 -1.54 1.61 1.85 -1.26 -4.71 116.66 115.81 1x5g n ARG 8 Ca 0.00 -3.83 -0.32 0.00 -1.00 0.00 0.00 57.85 52.70 1x5g n ARG 8 Cb 0.00 -2.28 0.06 0.00 -1.05 0.00 0.00 32.46 29.19 1x5g n ARG 8 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1x5g n VAL 9 N -0.76 3.30 -2.77 8.89 0.24 -1.26 -5.01 118.33 120.97 1x5g n VAL 9 Ca 0.51 -3.33 -0.29 0.00 -2.04 0.00 0.00 64.34 59.19 1x5g n VAL 9 Cb 0.78 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 1x5g n VAL 9 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x5g s GLU 10 N -3.76 3.68 -0.31 7.34 2.02 -1.26 -5.07 118.70 121.34 1x5g s GLU 10 Ca 0.61 0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.90 1x5g s GLU 10 Cb 0.48 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 32.35 1x5g s GLU 10 CO 0.00 -0.10 0.07 0.99 0.02 0.00 0.00 175.26 176.24 1x5g s THR 11 N -2.52 3.67 0.02 3.63 2.01 -1.26 -5.08 115.64 116.11 1x5g s THR 11 Ca 0.50 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1x5g s THR 11 Cb -0.10 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1x5g s THR 11 CO 0.37 -0.06 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.09 1x5g s GLN 12 N 1.41 0.32 0.62 4.92 -1.52 -1.26 -5.16 119.66 118.98 1x5g s GLN 12 Ca -0.01 -0.42 -0.10 0.00 -1.95 0.00 0.00 55.36 52.88 1x5g s GLN 12 Cb -0.19 -0.12 0.15 0.00 -0.22 0.00 0.00 33.01 32.64 1x5g s GLN 12 CO 0.02 0.02 0.55 -0.35 -0.25 0.00 0.00 175.29 175.28 1x5g n PRO 13 N 2.17 -2.09 -1.99 2.91 -0.04 -1.26 -4.96 135.00 129.74 1x5g n PRO 13 Ca -0.19 -0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 61.98 1x5g n PRO 13 Cb 0.57 -0.82 -0.02 0.00 -0.04 0.00 0.00 33.50 33.19 1x5g n PRO 13 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1x5g s GLU 14 N -4.25 4.26 0.34 0.54 -1.05 -1.26 -5.03 118.70 112.25 1x5g s GLU 14 Ca 0.36 2.34 0.09 0.00 -0.15 0.00 0.00 54.97 57.61 1x5g s GLU 14 Cb -0.04 -3.06 -0.06 0.00 -0.44 0.00 0.00 34.13 30.53 1x5g s GLU 14 CO 0.27 -0.37 -0.09 0.14 0.95 0.00 0.00 175.26 176.16 1x5g s VAL 15 N -0.63 2.14 -0.65 1.83 -7.23 -1.26 -5.08 120.40 109.52 1x5g s VAL 15 Ca 0.55 -2.19 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 1x5g s VAL 15 Cb -0.42 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1x5g s VAL 15 CO 0.51 -0.21 1.50 -1.10 -0.31 0.00 0.00 175.10 175.49 1x5g s GLN 16 N -3.63 3.04 0.06 4.82 -0.21 -1.26 -4.95 119.66 117.53 1x5g s GLN 16 Ca 0.32 0.22 -0.15 0.00 0.02 0.00 0.00 55.36 55.77 1x5g s GLN 16 Cb 0.03 -4.23 0.03 0.00 1.00 0.00 0.00 33.01 29.83 1x5g s GLN 16 CO 0.16 -2.28 0.35 -0.51 -2.12 0.00 0.00 175.29 170.89 1x5g s LEU 17 N 6.89 0.67 0.92 2.90 1.43 -1.26 -4.57 118.68 125.67 1x5g s LEU 17 Ca 0.50 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1x5g s LEU 17 Cb -0.10 1.54 0.14 0.00 0.03 0.00 0.00 46.19 47.79 1x5g s LEU 17 CO 0.20 -0.67 1.09 -2.16 0.23 0.00 0.00 176.35 175.04 1x5g s PRO 18 N -2.74 1.10 0.48 1.29 0.04 -1.26 -3.29 135.00 130.61 1x5g s PRO 18 Ca -0.04 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.81 1x5g s PRO 18 Cb -0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.76 1x5g s PRO 18 CO -0.04 -2.34 0.66 0.20 0.04 0.00 0.00 177.00 175.52 1x5g s GLY 19 N -3.42 1.84 -0.31 0.56 0.00 -1.26 -3.92 107.32 100.81 1x5g s GLY 19 Ca 0.64 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 1x5g s GLY 19 CO 0.57 -1.24 1.67 2.56 0.00 0.00 0.00 173.10 176.66 1x5g s PRO 20 N -4.54 3.53 -0.37 2.90 0.04 -1.26 -4.75 135.00 130.55 1x5g s PRO 20 Ca 0.55 1.42 -0.34 0.00 0.04 0.00 0.00 61.00 62.67 1x5g s PRO 20 Cb -0.10 -4.11 -0.15 0.00 0.04 0.00 0.00 34.50 30.18 1x5g s PRO 20 CO 0.36 -1.61 1.38 0.00 0.04 0.00 0.00 177.00 177.16 1x5g n ALA 21 N 9.40 -0.46 -1.12 8.56 0.00 -1.26 -4.88 120.51 130.74 1x5g n ALA 21 Ca 0.20 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 1x5g n ALA 21 Cb 0.46 -1.48 0.21 0.00 0.00 0.00 0.00 19.45 18.64 1x5g n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5g s PRO 22 N 3.27 -0.39 -1.43 0.00 0.04 -1.25 -4.09 135.00 131.15 1x5g s PRO 22 Ca 0.83 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 1x5g s PRO 22 Cb -1.11 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1x5g s PRO 22 CO 0.55 -3.22 0.38 0.09 0.04 0.00 0.00 177.00 174.85 1x5g n ASN 23 N -4.47 -0.26 -4.52 6.66 4.13 -1.26 -1.29 115.26 114.25 1x5g n ASN 23 Ca 0.09 -1.04 -0.42 0.00 1.68 0.00 0.00 54.58 54.88 1x5g n ASN 23 Cb 0.58 -2.88 -0.04 0.00 -1.54 0.00 0.00 39.78 35.90 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1x5g s LEU 24 N -7.02 3.89 0.24 3.41 2.96 -1.26 -3.68 118.68 117.23 1x5g s LEU 24 Ca 0.03 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1x5g s LEU 24 Cb -0.02 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1x5g s LEU 24 CO 0.90 -1.40 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.37 1x5g s ARG 25 N 4.42 2.23 -0.20 1.98 1.81 0.91 -5.01 118.95 125.09 1x5g s ARG 25 Ca 0.32 -1.38 -0.11 0.00 -1.72 0.00 0.00 55.73 52.84 1x5g s ARG 25 Cb -0.12 -2.16 0.06 0.00 -0.45 0.00 0.00 34.95 32.29 1x5g s ARG 25 CO 0.18 0.38 0.48 0.00 -0.68 0.00 0.00 175.30 175.67 1x5g s ALA 26 N -2.16 -1.27 -0.03 2.13 0.00 -1.26 -1.68 121.76 117.48 1x5g s ALA 26 Ca 0.30 1.77 -0.08 0.00 0.00 0.00 0.00 51.96 53.95 1x5g s ALA 26 Cb -0.07 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1x5g s ALA 26 CO 0.19 -0.30 0.18 1.52 0.00 0.00 0.00 175.76 177.34 1x5g s TYR 27 N 1.48 -0.09 -0.68 0.00 1.13 -0.78 -5.02 117.35 113.38 1x5g s TYR 27 Ca -0.10 0.20 -0.25 0.00 -1.41 0.00 0.00 57.07 55.52 1x5g s TYR 27 Cb -0.08 0.02 0.05 0.00 -1.10 0.00 0.00 41.96 40.85 1x5g s TYR 27 CO -0.15 -0.21 1.11 0.00 -2.51 0.00 0.00 175.55 173.79 1x5g s ALA 28 N -0.68 2.95 0.10 9.51 0.00 -1.26 -1.57 121.76 130.81 1x5g s ALA 28 Ca -0.08 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.15 1x5g s ALA 28 Cb -0.04 -4.03 -0.06 0.00 0.00 0.00 0.00 23.12 18.98 1x5g s ALA 28 CO 0.01 -2.97 1.59 0.00 0.00 0.00 0.00 175.76 174.39 1x5g h ALA 29 N 9.75 0.37 -2.20 0.00 0.00 -1.88 -3.43 119.26 121.86 1x5g h ALA 29 Ca -0.28 -0.17 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 1x5g h ALA 29 Cb 1.06 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 1x5g h ALA 29 CO 1.22 0.03 -0.69 -1.12 0.00 0.00 0.00 179.25 178.69 1x5g s SER 30 N -5.84 2.03 0.00 0.00 0.01 -1.23 -5.00 113.70 103.66 1x5g s SER 30 Ca -0.13 -1.10 0.15 0.00 1.31 0.00 0.00 55.95 56.17 1x5g s SER 30 Cb 0.08 -0.04 0.80 0.00 0.21 0.00 0.00 66.02 67.07 1x5g s SER 30 CO 0.74 -0.37 1.38 -0.81 0.41 0.00 0.00 173.24 174.59 1x5g n PRO 31 N -0.34 0.30 0.00 12.44 -0.04 -1.26 -2.23 135.00 143.87 1x5g n PRO 31 Ca -0.08 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x5g n PRO 31 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1x5g n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5g n THR 32 N -1.19 0.43 -4.07 0.52 -2.24 -1.26 -3.33 114.28 103.14 1x5g n THR 32 Ca 0.09 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1x5g n THR 32 Cb 0.10 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1x5g n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5g s SER 33 N -0.43 0.20 -0.18 3.42 1.04 -0.95 0.21 113.70 117.01 1x5g s SER 33 Ca 0.00 -1.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 1x5g s SER 33 Cb 0.00 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.74 1x5g s SER 33 CO 0.00 -1.10 0.41 -0.63 0.98 0.00 0.00 173.24 172.90 1x5g s ILE 34 N -3.84 -0.31 -0.22 -1.02 1.01 0.30 -3.54 121.20 113.59 1x5g s ILE 34 Ca 0.28 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1x5g s ILE 34 Cb 0.01 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1x5g s ILE 34 CO 0.12 0.06 0.14 -0.89 0.00 0.00 0.00 174.94 174.37 1x5g s THR 35 N 1.96 5.32 -0.13 2.92 2.01 -0.61 -1.03 115.64 126.10 1x5g s THR 35 Ca -0.06 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1x5g s THR 35 Cb -0.10 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 1x5g s THR 35 CO -0.13 0.39 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.31 1x5g s VAL 36 N 0.73 2.37 0.03 3.82 1.01 -0.59 -1.87 120.40 125.90 1x5g s VAL 36 Ca 0.07 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1x5g s VAL 36 Cb -0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1x5g s VAL 36 CO 0.02 0.54 -0.25 0.42 0.00 0.00 0.00 175.10 175.83 1x5g s THR 37 N 0.54 2.00 0.31 3.92 -4.23 -0.68 -2.19 115.64 115.32 1x5g s THR 37 Ca -0.12 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1x5g s THR 37 Cb -0.17 -1.70 -0.00 0.00 1.34 0.00 0.00 72.50 71.97 1x5g s THR 37 CO 0.04 0.39 0.38 -2.67 -0.54 0.00 0.00 174.62 172.22 1x5g n TRP 38 N 1.97 -1.14 -4.52 3.99 2.14 -0.92 -0.06 117.44 118.90 1x5g n TRP 38 Ca -0.17 -2.24 -0.25 0.00 2.07 0.00 0.00 57.50 56.92 1x5g n TRP 38 Cb 0.52 0.42 -0.11 0.00 -0.81 0.00 0.00 31.31 31.34 1x5g n TRP 38 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1x5g s GLU 39 N -2.88 1.75 0.05 -2.67 0.41 -0.41 -4.82 118.70 110.14 1x5g s GLU 39 Ca 0.29 -1.92 -0.25 0.00 -0.41 0.00 0.00 54.97 52.67 1x5g s GLU 39 Cb -0.00 -1.47 -0.06 0.00 -1.78 0.00 0.00 34.13 30.83 1x5g s GLU 39 CO 0.21 0.05 0.78 0.99 -0.49 0.00 0.00 175.26 176.80 1x5g s THR 40 N -2.80 4.71 0.44 3.63 2.01 -1.26 -3.90 115.64 118.47 1x5g s THR 40 Ca 0.32 1.67 -0.24 0.00 0.31 0.00 0.00 61.69 63.75 1x5g s THR 40 Cb 0.05 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 1x5g s THR 40 CO 0.15 0.36 1.17 -2.16 -0.69 0.00 0.00 174.62 173.46 1x5g s PRO 41 N -0.06 3.86 -0.70 4.92 0.04 -1.26 -4.70 135.00 137.10 1x5g s PRO 41 Ca 0.39 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1x5g s PRO 41 Cb -0.21 -2.51 -0.13 0.00 0.04 0.00 0.00 34.50 31.69 1x5g s PRO 41 CO 0.24 -0.48 2.69 1.33 0.04 0.00 0.00 177.00 180.82 1x5g n VAL 42 N -0.28 2.88 -3.88 -0.36 0.24 -1.26 -4.57 118.33 111.09 1x5g n VAL 42 Ca 0.06 -1.62 -0.30 0.00 -2.04 0.00 0.00 64.34 60.44 1x5g n VAL 42 Cb 0.47 -2.15 0.01 0.00 -1.47 0.00 0.00 33.84 30.70 1x5g n VAL 42 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x5g n SER 43 N 3.34 -2.61 -0.23 -1.34 7.64 -1.26 -4.77 113.62 114.39 1x5g n SER 43 Ca 0.48 -1.06 0.14 0.00 1.01 0.00 0.00 58.87 59.45 1x5g n SER 43 Cb 0.41 -2.96 0.26 0.00 -1.01 0.00 0.00 64.21 60.91 1x5g n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 44 N -1.91 -0.82 1.44 0.23 0.00 -1.26 -3.78 105.19 99.09 1x5g n GLY 44 Ca -0.21 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1x5g n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5g n ASN 45 N -4.82 0.28 0.00 1.61 5.15 -1.21 -4.78 115.26 111.49 1x5g n ASN 45 Ca 0.19 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1x5g n ASN 45 Cb 0.64 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1x5g n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5g n GLY 46 N 2.51 3.25 3.42 8.20 0.00 -1.25 -4.97 105.19 116.35 1x5g n GLY 46 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1x5g n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5g s GLU 47 N 2.25 1.53 0.03 1.61 0.41 -1.26 -4.51 118.70 118.77 1x5g s GLU 47 Ca 0.00 -1.29 -0.18 0.00 -0.41 0.00 0.00 54.97 53.09 1x5g s GLU 47 Cb 0.00 -1.97 -0.06 0.00 -1.78 0.00 0.00 34.13 30.32 1x5g s GLU 47 CO 0.00 0.46 0.53 0.42 -0.49 0.00 0.00 175.26 176.18 1x5g s ILE 48 N -1.09 4.86 -0.20 -1.63 -1.09 -1.26 -4.25 121.20 116.54 1x5g s ILE 48 Ca 0.15 1.11 -0.17 0.00 -2.23 0.00 0.00 60.65 59.52 1x5g s ILE 48 Cb -0.10 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 1x5g s ILE 48 CO 0.07 0.53 -0.32 0.00 -1.23 0.00 0.00 174.94 173.99 1x5g n GLN 49 N 1.98 0.54 -4.14 2.79 1.13 -0.55 -4.99 117.38 114.13 1x5g n GLN 49 Ca -0.11 0.26 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 1x5g n GLN 49 Cb 0.51 -1.47 -0.08 0.00 0.11 0.00 0.00 30.24 29.31 1x5g n GLN 49 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1x5g s ASN 50 N -6.25 0.40 -0.17 1.08 2.47 -1.16 -5.06 114.94 106.25 1x5g s ASN 50 Ca -0.30 -1.34 0.01 0.00 0.42 0.00 0.00 52.86 51.65 1x5g s ASN 50 Cb 0.06 0.50 0.03 0.00 -1.45 0.00 0.00 41.25 40.38 1x5g s ASN 50 CO 0.43 -1.01 -0.16 -0.31 -3.72 0.00 0.00 177.10 172.33 1x5g s TYR 51 N -3.87 2.52 -0.16 0.43 2.02 -1.24 -3.07 117.35 113.98 1x5g s TYR 51 Ca 0.34 -1.51 -0.14 0.00 -0.37 0.00 0.00 57.07 55.39 1x5g s TYR 51 Cb 0.03 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.79 1x5g s TYR 51 CO 0.15 -0.75 0.31 0.21 -1.57 0.00 0.00 175.55 173.90 1x5g s LYS 52 N 1.37 4.26 -0.18 -0.62 2.47 -0.96 -2.86 119.74 123.22 1x5g s LYS 52 Ca 0.04 0.12 -0.01 0.00 -1.56 0.00 0.00 55.97 54.56 1x5g s LYS 52 Cb -0.14 -3.44 -0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1x5g s LYS 52 CO -0.11 0.21 -0.12 -1.17 0.16 0.00 0.00 175.35 174.32 1x5g s LEU 53 N 0.55 2.62 0.15 5.43 2.96 -1.08 -1.52 118.68 127.78 1x5g s LEU 53 Ca 0.17 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1x5g s LEU 53 Cb -0.13 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1x5g s LEU 53 CO 0.05 0.05 0.15 -0.31 -1.32 0.00 0.00 176.35 174.97 1x5g s TYR 54 N 1.02 3.20 -0.28 5.38 1.51 -0.53 -1.16 117.35 126.49 1x5g s TYR 54 Ca -0.01 0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1x5g s TYR 54 Cb -0.15 -1.55 0.08 0.00 -0.11 0.00 0.00 41.96 40.24 1x5g s TYR 54 CO -0.02 0.52 0.70 1.52 -1.11 0.00 0.00 175.55 177.16 1x5g s TYR 55 N -1.71 -1.04 0.05 2.71 1.13 -1.19 -3.31 117.35 113.99 1x5g s TYR 55 Ca 0.31 2.10 -0.22 0.00 -1.41 0.00 0.00 57.07 57.85 1x5g s TYR 55 Cb -0.10 0.61 0.05 0.00 -1.10 0.00 0.00 41.96 41.42 1x5g s TYR 55 CO 0.24 -0.51 0.51 0.00 -2.51 0.00 0.00 175.55 173.28 1x5g s MET 56 N 1.56 1.03 -0.00 -3.49 0.23 -1.13 -3.35 119.30 114.16 1x5g s MET 56 Ca -0.09 -0.25 -0.28 0.00 -1.03 0.00 0.00 55.69 54.03 1x5g s MET 56 Cb -0.05 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1x5g s MET 56 CO -0.19 -0.37 0.89 -2.00 -2.03 0.00 0.00 175.02 171.32 1x5g s GLU 57 N -2.49 4.54 -0.66 3.16 2.12 -1.26 -0.40 118.70 123.71 1x5g s GLU 57 Ca -0.05 1.26 -0.26 0.00 0.36 0.00 0.00 54.97 56.28 1x5g s GLU 57 Cb -0.01 -3.44 -0.12 0.00 0.26 0.00 0.00 34.13 30.82 1x5g s GLU 57 CO -0.02 0.03 2.44 1.17 -0.54 0.00 0.00 175.26 178.34 1x5g n LYS 58 N 3.69 0.72 0.00 4.30 3.00 -1.21 -2.28 118.16 126.38 1x5g n LYS 58 Ca 0.03 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1x5g n LYS 58 Cb 0.51 -3.12 0.00 0.00 0.00 0.00 0.00 35.03 32.42 1x5g n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5g n GLY 59 N 6.25 1.09 0.00 3.14 0.00 -1.26 -5.01 105.19 109.40 1x5g n GLY 59 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1x5g n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5g n THR 60 N -0.00 0.00 -2.02 2.61 -1.04 -0.97 -5.02 114.28 107.84 1x5g n THR 60 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1x5g n THR 60 Cb 0.00 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1x5g n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5g n ASP 61 N -1.30 -5.00 -3.45 8.00 8.00 -1.26 -4.97 116.55 116.57 1x5g n ASP 61 Ca 0.00 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 1x5g n ASP 61 Cb 0.24 -4.05 -0.11 0.00 -0.02 0.00 0.00 41.12 37.17 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1x5g s LYS 62 N -4.33 0.25 0.10 -1.24 -0.14 -1.26 -5.15 119.74 107.96 1x5g s LYS 62 Ca 0.00 0.38 0.04 0.00 -1.36 0.00 0.00 55.97 55.02 1x5g s LYS 62 Cb 0.00 -0.84 -0.04 0.00 -1.68 0.00 0.00 37.83 35.28 1x5g s LYS 62 CO 0.00 -0.62 0.08 -2.00 -0.76 0.00 0.00 175.35 172.04 1x5g s GLU 63 N 2.42 2.83 0.41 1.68 2.12 -1.26 -4.70 118.70 122.20 1x5g s GLU 63 Ca 0.09 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.73 1x5g s GLU 63 Cb -0.15 -2.68 -0.07 0.00 0.26 0.00 0.00 34.13 31.49 1x5g s GLU 63 CO -0.13 0.54 0.09 -0.65 -0.54 0.00 0.00 175.26 174.57 1x5g s GLN 64 N -2.52 2.08 -0.06 4.30 1.11 -1.21 -4.99 119.66 118.36 1x5g s GLN 64 Ca 0.29 -1.99 0.02 0.00 0.01 0.00 0.00 55.36 53.69 1x5g s GLN 64 Cb -0.12 -1.80 0.02 0.00 -1.01 0.00 0.00 33.01 30.10 1x5g s GLN 64 CO 0.22 -0.08 -0.09 0.16 0.01 0.00 0.00 175.29 175.51 1x5g s ASP 65 N -3.80 1.53 -0.05 5.90 -4.77 -1.26 -3.19 116.67 111.02 1x5g s ASP 65 Ca 0.38 -0.24 0.07 0.00 -3.30 0.00 0.00 52.55 49.46 1x5g s ASP 65 Cb 0.07 -0.69 -0.01 0.00 -1.09 0.00 0.00 42.92 41.20 1x5g s ASP 65 CO 0.20 -0.01 -0.25 0.68 0.70 0.00 0.00 175.17 176.49 1x5g s VAL 66 N 0.87 2.04 -0.10 2.11 -7.23 -0.31 -4.98 120.40 112.80 1x5g s VAL 66 Ca -0.11 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 1x5g s VAL 66 Cb -0.15 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1x5g s VAL 66 CO 0.01 0.57 1.43 1.51 -0.31 0.00 0.00 175.10 178.31 1x5g s ASP 67 N -0.27 6.83 -0.08 4.85 -4.77 -1.26 -2.63 116.67 119.34 1x5g s ASP 67 Ca -0.00 1.96 0.02 0.00 -3.30 0.00 0.00 52.55 51.22 1x5g s ASP 67 Cb -0.13 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.18 1x5g s ASP 67 CO 0.03 -0.81 -0.13 -0.69 0.70 0.00 0.00 175.17 174.27 1x5g s VAL 68 N 3.50 1.24 -0.51 2.11 1.01 -1.14 -5.00 120.40 121.61 1x5g s VAL 68 Ca 0.63 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1x5g s VAL 68 Cb -0.27 -1.15 0.41 0.00 0.00 0.00 0.00 36.38 35.37 1x5g s VAL 68 CO 0.22 0.38 1.27 -1.20 0.00 0.00 0.00 175.10 175.78 1x5g n SER 69 N 4.03 5.21 -3.71 3.32 7.64 -1.26 -3.63 113.62 125.22 1x5g n SER 69 Ca -0.21 -3.74 -0.07 0.00 1.01 0.00 0.00 58.87 55.87 1x5g n SER 69 Cb 0.51 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1x5g n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5g s SER 70 N -3.11 -0.30 0.33 6.43 1.04 -1.26 -5.04 113.70 111.80 1x5g s SER 70 Ca 0.49 -0.37 0.18 0.00 0.48 0.00 0.00 55.95 56.73 1x5g s SER 70 Cb 0.41 0.59 0.22 0.00 0.10 0.00 0.00 66.02 67.33 1x5g s SER 70 CO -0.23 -1.05 1.52 0.45 0.98 0.00 0.00 173.24 174.91 1x5g h HIS 71 N 2.00 0.00 -3.38 5.02 3.86 -1.95 -3.44 115.15 117.26 1x5g h HIS 71 Ca -0.24 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.49 1x5g h HIS 71 Cb 1.25 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.38 1x5g h HIS 71 CO 0.36 0.36 -0.80 -1.54 0.86 0.00 0.00 177.93 177.17 1x5g s SER 72 N -6.37 1.60 0.02 2.45 1.04 -1.26 -2.16 113.70 109.01 1x5g s SER 72 Ca 0.04 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1x5g s SER 72 Cb 0.07 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1x5g s SER 72 CO 0.72 -0.03 -0.12 -0.47 0.98 0.00 0.00 173.24 174.31 1x5g s TYR 73 N 0.99 1.10 -0.16 5.02 6.14 -0.93 -5.01 117.35 124.50 1x5g s TYR 73 Ca -0.09 -0.30 -0.02 0.00 0.64 0.00 0.00 57.07 57.31 1x5g s TYR 73 Cb -0.15 -0.67 -0.01 0.00 0.42 0.00 0.00 41.96 41.55 1x5g s TYR 73 CO 0.00 0.01 -0.10 0.99 0.64 0.00 0.00 175.55 177.09 1x5g s THR 74 N -0.65 3.23 -0.34 4.34 2.01 -1.26 -1.54 115.64 121.43 1x5g s THR 74 Ca 0.02 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1x5g s THR 74 Cb -0.07 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.08 1x5g s THR 74 CO 0.01 0.50 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 1x5g s ILE 75 N 0.64 4.13 0.16 1.82 1.01 -0.20 -4.94 121.20 123.81 1x5g s ILE 75 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1x5g s ILE 75 Cb -0.15 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1x5g s ILE 75 CO 0.03 -0.12 0.29 0.54 0.00 0.00 0.00 174.94 175.67 1x5g s ASN 76 N 1.49 6.34 0.00 3.58 2.20 -1.26 -0.54 114.94 126.74 1x5g s ASN 76 Ca 0.01 0.16 0.00 0.00 -0.94 0.00 0.00 52.86 52.09 1x5g s ASN 76 Cb -0.19 -1.90 0.00 0.00 -2.00 0.00 0.00 41.25 37.16 1x5g s ASN 76 CO 0.04 0.04 0.00 0.61 -2.94 0.00 0.00 177.10 174.85 1x5g n GLY 77 N -0.63 0.59 3.41 0.45 0.00 0.13 -4.95 105.19 104.20 1x5g n GLY 77 Ca -0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1x5g n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5g s LEU 78 N -0.38 2.52 0.67 0.99 1.43 0.12 -4.99 118.68 119.03 1x5g s LEU 78 Ca 0.00 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 1x5g s LEU 78 Cb 0.00 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1x5g s LEU 78 CO 0.00 0.02 1.08 -0.54 0.23 0.00 0.00 176.35 177.14 1x5g s LYS 79 N -3.17 2.86 0.28 1.70 -0.14 -1.26 -4.21 119.74 115.80 1x5g s LYS 79 Ca 0.24 1.23 -0.21 0.00 -1.36 0.00 0.00 55.97 55.87 1x5g s LYS 79 Cb -0.05 -1.97 -0.09 0.00 -1.68 0.00 0.00 37.83 34.04 1x5g s LYS 79 CO 0.11 -1.18 0.81 0.15 -0.76 0.00 0.00 175.35 174.47 1x5g s LYS 80 N -4.39 4.31 -1.55 1.68 3.01 -1.21 -3.95 119.74 117.64 1x5g s LYS 80 Ca 0.63 0.99 -0.10 0.00 -1.01 0.00 0.00 55.97 56.49 1x5g s LYS 80 Cb -0.18 -2.73 0.08 0.00 -1.01 0.00 0.00 37.83 33.99 1x5g s LYS 80 CO 0.45 0.29 0.68 0.98 0.51 0.00 0.00 175.35 178.26 1x5g n TYR 81 N 0.40 -1.81 -4.51 3.18 9.36 -1.18 -4.95 117.16 117.66 1x5g n TYR 81 Ca 0.01 0.80 -0.25 0.00 3.32 0.00 0.00 57.90 61.77 1x5g n TYR 81 Cb 0.51 -3.49 -0.17 0.00 -0.63 0.00 0.00 39.34 35.57 1x5g n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1x5g s THR 82 N -3.57 1.16 0.48 2.97 2.01 -1.25 -4.86 115.64 112.59 1x5g s THR 82 Ca 0.41 -0.48 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 1x5g s THR 82 Cb -0.22 -1.08 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 1x5g s THR 82 CO 0.89 0.37 1.14 -0.70 -0.69 0.00 0.00 174.62 175.63 1x5g s GLU 83 N 0.80 3.65 -0.10 4.92 2.12 -1.26 -3.24 118.70 125.60 1x5g s GLU 83 Ca -0.12 1.69 -0.05 0.00 0.36 0.00 0.00 54.97 56.85 1x5g s GLU 83 Cb -0.15 -2.27 0.04 0.00 0.26 0.00 0.00 34.13 32.01 1x5g s GLU 83 CO 0.02 -0.62 0.23 0.71 -0.54 0.00 0.00 175.26 175.06 1x5g s TYR 84 N -1.64 -0.31 0.47 5.30 2.02 -0.09 -3.34 117.35 119.77 1x5g s TYR 84 Ca 0.66 0.74 -0.13 0.00 -0.37 0.00 0.00 57.07 57.97 1x5g s TYR 84 Cb -0.26 0.04 -0.07 0.00 -0.40 0.00 0.00 41.96 41.27 1x5g s TYR 84 CO 0.31 -0.21 0.88 0.45 -1.57 0.00 0.00 175.55 175.41 1x5g s SER 85 N 1.12 6.53 -0.13 2.29 0.15 0.47 -1.33 113.70 122.80 1x5g s SER 85 Ca -0.08 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 1x5g s SER 85 Cb -0.09 -2.41 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1x5g s SER 85 CO -0.07 -0.52 0.34 -0.36 1.20 0.00 0.00 173.24 173.83 1x5g s PHE 86 N -2.56 -0.41 -0.16 3.44 0.08 -1.20 -2.83 117.98 114.34 1x5g s PHE 86 Ca 0.54 0.97 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 1x5g s PHE 86 Cb -0.10 0.14 0.05 0.00 -0.57 0.00 0.00 43.02 42.54 1x5g s PHE 86 CO 0.34 -0.22 0.40 -0.98 -0.10 0.00 0.00 175.22 174.66 1x5g s ARG 87 N 0.53 0.42 -0.13 0.44 1.70 -1.21 -0.26 118.95 120.44 1x5g s ARG 87 Ca -0.03 0.68 -0.05 0.00 -0.47 0.00 0.00 55.73 55.87 1x5g s ARG 87 Cb -0.04 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 1x5g s ARG 87 CO -0.03 -0.12 0.04 0.08 -1.08 0.00 0.00 175.30 174.19 1x5g s VAL 88 N 0.91 4.61 -0.12 4.99 1.01 -1.26 -1.46 120.40 129.09 1x5g s VAL 88 Ca -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1x5g s VAL 88 Cb -0.06 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1x5g s VAL 88 CO -0.07 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.70 1x5g s VAL 89 N -0.34 2.51 -0.37 2.92 1.01 -0.58 -2.40 120.40 123.15 1x5g s VAL 89 Ca 0.08 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 1x5g s VAL 89 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1x5g s VAL 89 CO 0.02 0.54 0.78 0.00 0.00 0.00 0.00 175.10 176.44 1x5g s ALA 90 N 0.37 3.42 -0.44 5.51 0.00 -1.26 -2.27 121.76 127.10 1x5g s ALA 90 Ca -0.15 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1x5g s ALA 90 Cb -0.17 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1x5g s ALA 90 CO 0.07 -1.50 0.37 0.71 0.00 0.00 0.00 175.76 175.42 1x5g s TYR 91 N 3.10 3.22 0.24 0.00 1.51 -1.18 -1.39 117.35 122.85 1x5g s TYR 91 Ca 0.31 -0.68 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1x5g s TYR 91 Cb -0.13 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 1x5g s TYR 91 CO 0.17 -0.71 0.13 -0.80 -1.11 0.00 0.00 175.55 173.23 1x5g s ASN 92 N 2.09 5.25 0.50 2.29 -0.87 -1.09 -1.48 114.94 121.62 1x5g s ASN 92 Ca 0.06 -0.34 0.42 0.00 -1.57 0.00 0.00 52.86 51.43 1x5g s ASN 92 Cb -0.21 -1.25 1.60 0.00 -0.02 0.00 0.00 41.25 41.37 1x5g s ASN 92 CO 0.09 -0.01 1.54 2.29 -2.57 0.00 0.00 177.10 178.45 1x5g n LYS 93 N -0.93 -0.02 0.06 -0.60 2.85 -1.26 -0.75 118.16 117.51 1x5g n LYS 93 Ca -0.08 1.15 -0.03 0.00 -1.05 0.00 0.00 58.31 58.30 1x5g n LYS 93 Cb 0.58 -2.46 -0.01 0.00 -0.65 0.00 0.00 35.03 32.48 1x5g n LYS 93 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5g h HIS 94 N 0.00 -0.19 -1.50 5.58 -0.00 -1.92 -3.50 115.15 113.62 1x5g h HIS 94 Ca 0.90 -0.00 0.36 0.00 -0.00 0.00 0.00 60.37 61.63 1x5g h HIS 94 Cb 3.30 0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 30.66 1x5g h HIS 94 CO -0.00 -0.12 0.91 0.20 -0.00 0.00 0.00 177.93 178.92 1x5g s GLY 95 N -2.71 -0.37 -1.00 2.45 0.00 0.07 -5.08 107.32 100.69 1x5g s GLY 95 Ca -0.03 0.60 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 1x5g s GLY 95 CO 0.09 1.82 1.94 2.56 0.00 0.00 0.00 173.10 179.51 1x5g s PRO 96 N -2.18 2.54 1.00 2.90 0.04 -1.26 -2.66 135.00 135.38 1x5g s PRO 96 Ca 0.19 -0.58 -0.13 0.00 0.04 0.00 0.00 61.00 60.52 1x5g s PRO 96 Cb 0.04 -5.12 0.20 0.00 0.04 0.00 0.00 34.50 29.66 1x5g s PRO 96 CO -0.04 -3.58 0.45 0.41 0.04 0.00 0.00 177.00 174.29 1x5g n GLY 97 N 6.51 -2.11 3.05 0.56 0.00 -0.49 -4.86 105.19 107.86 1x5g n GLY 97 Ca 0.42 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1x5g n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x5g n VAL 98 N -4.49 0.00 -4.99 1.61 0.24 -1.25 -4.47 118.33 104.98 1x5g n VAL 98 Ca 0.07 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 1x5g n VAL 98 Cb 0.32 -0.09 -0.16 0.00 -1.47 0.00 0.00 33.84 32.43 1x5g n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5g s SER 99 N -1.14 2.46 0.71 -1.34 0.15 -1.26 -4.14 113.70 109.13 1x5g s SER 99 Ca 0.41 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 1x5g s SER 99 Cb -0.09 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 1x5g s SER 99 CO 0.75 0.21 0.60 0.35 1.20 0.00 0.00 173.24 176.34 1x5g n THR 100 N 2.93 1.98 -2.21 6.45 -2.24 -1.01 -4.89 114.28 115.28 1x5g n THR 100 Ca -0.17 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1x5g n THR 100 Cb 0.53 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1x5g n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x5g s PRO 101 N -2.79 4.35 0.04 -0.78 0.04 -1.26 -4.61 135.00 129.99 1x5g s PRO 101 Ca 0.67 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.49 1x5g s PRO 101 Cb -0.36 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 1x5g s PRO 101 CO 0.56 -0.37 0.62 -0.40 0.04 0.00 0.00 177.00 177.45 1x5g n ASP 102 N 3.65 -0.27 -3.67 6.66 5.75 -1.26 -4.84 116.55 122.56 1x5g n ASP 102 Ca 0.10 0.79 -0.28 0.00 -0.01 0.00 0.00 54.79 55.39 1x5g n ASP 102 Cb 0.43 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1x5g n VAL 103 N 0.71 1.95 -1.97 2.12 0.31 0.64 -4.86 118.33 117.23 1x5g n VAL 103 Ca 0.13 -5.02 -0.40 0.00 -0.01 0.00 0.00 64.34 59.05 1x5g n VAL 103 Cb 0.09 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 1x5g n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g s ALA 104 N -1.93 3.24 -0.08 3.52 0.00 -1.26 -3.21 121.76 122.04 1x5g s ALA 104 Ca 0.32 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 1x5g s ALA 104 Cb 0.05 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1x5g s ALA 104 CO -0.10 -0.95 0.35 0.54 0.00 0.00 0.00 175.76 175.59 1x5g s VAL 105 N -1.25 0.02 -0.15 0.00 0.11 -0.44 -4.91 120.40 113.79 1x5g s VAL 105 Ca 0.59 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 59.30 1x5g s VAL 105 Cb -0.40 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1x5g s VAL 105 CO 0.51 -0.11 0.30 -0.60 -3.33 0.00 0.00 175.10 171.87 1x5g s ARG 106 N -0.47 4.20 0.71 1.54 3.52 -1.26 -0.91 118.95 126.28 1x5g s ARG 106 Ca -0.06 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.55 1x5g s ARG 106 Cb -0.04 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1x5g s ARG 106 CO 0.02 0.29 1.10 0.95 -0.81 0.00 0.00 175.30 176.85 1x5g s THR 107 N 0.30 3.30 0.31 4.11 -4.23 -1.20 -4.62 115.64 113.61 1x5g s THR 107 Ca 0.17 0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.79 1x5g s THR 107 Cb -0.13 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.19 1x5g s THR 107 CO 0.05 -0.54 1.24 -0.76 -0.54 0.00 0.00 174.62 174.07 1x5g s LEU 108 N -5.37 4.46 -0.28 4.79 1.43 -1.26 -3.65 118.68 118.80 1x5g s LEU 108 Ca 0.58 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 56.06 1x5g s LEU 108 Cb -0.11 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1x5g s LEU 108 CO 0.51 -0.42 0.50 -0.55 0.23 0.00 0.00 176.35 176.62 1x5g s SER 109 N -0.57 6.39 -0.34 2.29 0.15 -1.26 -3.07 113.70 117.28 1x5g s SER 109 Ca 0.48 0.39 -0.27 0.00 0.70 0.00 0.00 55.95 57.24 1x5g s SER 109 Cb -0.37 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1x5g s SER 109 CO 0.49 -0.31 2.17 -0.62 1.20 0.00 0.00 173.24 176.17 1x5g s ASP 110 N 1.60 5.24 -0.13 5.45 2.15 -1.26 -4.83 116.67 124.89 1x5g s ASP 110 Ca 0.20 1.45 -0.24 0.00 0.43 0.00 0.00 52.55 54.39 1x5g s ASP 110 Cb -0.16 -2.51 -0.26 0.00 -0.30 0.00 0.00 42.92 39.70 1x5g s ASP 110 CO 0.10 -2.20 0.63 0.77 -0.17 0.00 0.00 175.17 174.30 1x5g h SER 111 N 15.89 0.15 0.00 -0.34 4.64 -2.05 -3.50 113.55 128.34 1x5g h SER 111 Ca -0.34 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 1x5g h SER 111 Cb 1.23 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1x5g h SER 111 CO 1.05 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 178.90 1x5g n GLY 112 N 1.60 -1.41 3.55 -0.77 0.00 -1.26 -5.09 105.19 101.82 1x5g n GLY 112 Ca -0.18 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1x5g n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 113 N 0.00 2.68 0.37 1.61 0.04 -1.26 -4.98 135.00 133.46 1x5g s PRO 113 Ca 0.00 0.66 -0.25 0.00 0.04 0.00 0.00 61.00 61.45 1x5g s PRO 113 Cb 0.00 -4.37 -0.10 0.00 0.04 0.00 0.00 34.50 30.07 1x5g s PRO 113 CO 0.00 -2.67 1.00 -1.12 0.04 0.00 0.00 177.00 174.25 1x5g s SER 114 N 7.94 7.00 -1.47 6.66 0.01 -1.26 -3.69 113.70 128.89 1x5g s SER 114 Ca 0.68 1.93 -0.15 0.00 1.31 0.00 0.00 55.95 59.72 1x5g s SER 114 Cb -0.13 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.67 1x5g s SER 114 CO 0.22 -0.31 0.38 -0.24 0.41 0.00 0.00 173.24 173.70 1x5g n SER 115 N 0.14 -1.01 -0.24 2.44 2.88 -1.26 -5.25 113.62 111.32 1x5g n SER 115 Ca 0.04 -1.02 0.03 0.00 -1.33 0.00 0.00 58.87 56.59 1x5g n SER 115 Cb 0.50 -1.29 0.02 0.00 -0.75 0.00 0.00 64.21 62.69 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42