#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 3.36 0.62 1.61 0.01 -1.26 -5.11 113.70 112.93 1x5g s SER 2 Ca 0.00 -1.03 -0.18 0.00 1.31 0.00 0.00 55.95 56.06 1x5g s SER 2 Cb 0.00 -0.26 -0.15 0.00 0.21 0.00 0.00 66.02 65.82 1x5g s SER 2 CO 0.00 -0.01 -0.25 -1.20 0.41 0.00 0.00 173.24 172.19 1x5g n SER 3 N -0.56 -4.09 0.00 2.44 7.64 -1.26 -4.92 113.62 112.87 1x5g n SER 3 Ca -0.06 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1x5g n SER 3 Cb 0.60 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1x5g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 4 N 2.69 1.89 3.70 0.23 0.00 -1.26 -5.14 105.19 107.30 1x5g n GLY 4 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.27 0.37 1.61 0.01 -1.26 -4.78 113.70 109.91 1x5g s SER 5 Ca 0.00 -1.20 -0.14 0.00 1.31 0.00 0.00 55.95 55.92 1x5g s SER 5 Cb 0.00 0.77 0.04 0.00 0.21 0.00 0.00 66.02 67.04 1x5g s SER 5 CO 0.00 -1.52 0.72 -0.44 0.41 0.00 0.00 173.24 172.41 1x5g s SER 6 N -3.11 0.16 -0.26 2.44 0.01 -1.26 -5.19 113.70 106.49 1x5g s SER 6 Ca 0.20 -1.17 -0.27 0.00 1.31 0.00 0.00 55.95 56.02 1x5g s SER 6 Cb -0.04 0.81 0.16 0.00 0.21 0.00 0.00 66.02 67.16 1x5g s SER 6 CO 0.14 -1.59 1.25 -0.83 0.41 0.00 0.00 173.24 172.62 1x5g s GLY 7 N -3.09 0.06 0.09 3.44 0.00 -1.26 -5.18 107.32 101.38 1x5g s GLY 7 Ca 0.18 2.88 0.02 0.00 0.00 0.00 0.00 44.72 47.80 1x5g s GLY 7 CO 0.13 1.52 -0.07 0.50 0.00 0.00 0.00 173.10 175.18 1x5g s ARG 8 N -0.43 0.81 0.24 2.90 3.00 -1.26 -5.17 118.95 119.04 1x5g s ARG 8 Ca 0.05 -1.25 0.06 0.00 0.00 0.00 0.00 55.73 54.59 1x5g s ARG 8 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 34.95 34.62 1x5g s ARG 8 CO -0.08 0.00 0.23 0.14 0.00 0.00 0.00 175.30 175.59 1x5g s VAL 9 N -3.23 4.64 -0.03 3.52 -7.23 -1.26 -5.13 120.40 111.69 1x5g s VAL 9 Ca 0.09 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1x5g s VAL 9 Cb 0.03 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1x5g s VAL 9 CO -0.03 -0.32 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.63 1x5g s GLU 10 N -3.78 1.15 0.29 4.82 2.56 -1.26 -5.13 118.70 117.34 1x5g s GLU 10 Ca 0.33 -0.39 -0.29 0.00 0.00 0.00 0.00 54.97 54.62 1x5g s GLU 10 Cb -0.08 -1.05 -0.09 0.00 2.00 0.00 0.00 34.13 34.90 1x5g s GLU 10 CO 0.26 0.16 1.08 0.95 -0.56 0.00 0.00 175.26 177.15 1x5g s THR 11 N 0.10 3.56 -0.22 -1.70 -4.23 -1.26 -5.03 115.64 106.85 1x5g s THR 11 Ca -0.02 1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 61.74 1x5g s THR 11 Cb -0.09 -3.97 0.15 0.00 1.34 0.00 0.00 72.50 69.94 1x5g s THR 11 CO 0.01 0.34 1.15 0.00 -0.54 0.00 0.00 174.62 175.59 1x5g s GLN 12 N -1.50 0.37 0.65 3.99 -2.07 -1.26 -5.18 119.66 114.66 1x5g s GLN 12 Ca 0.45 0.13 -0.11 0.00 -1.82 0.00 0.00 55.36 54.02 1x5g s GLN 12 Cb -0.31 0.17 0.16 0.00 -1.09 0.00 0.00 33.01 31.95 1x5g s GLN 12 CO 0.39 -0.11 0.58 -0.35 -1.32 0.00 0.00 175.29 174.48 1x5g n PRO 13 N 0.85 -2.15 -2.27 9.60 -0.04 -1.26 -4.98 135.00 134.74 1x5g n PRO 13 Ca -0.07 -0.93 -0.32 0.00 -0.04 0.00 0.00 63.50 62.15 1x5g n PRO 13 Cb 0.58 -0.87 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 0.39 -0.04 0.00 0.00 175.50 175.85 1x5g n GLU 14 N -3.28 3.17 -0.94 0.54 1.02 -1.26 -5.03 120.64 114.86 1x5g n GLU 14 Ca 0.08 -4.14 -0.10 0.00 -0.02 0.00 0.00 57.16 52.98 1x5g n GLU 14 Cb 0.31 -2.26 0.07 0.00 -0.02 0.00 0.00 31.44 29.54 1x5g n GLU 14 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1x5g n VAL 15 N -0.50 0.00 -2.60 2.62 0.24 -1.26 -4.98 118.33 111.85 1x5g n VAL 15 Ca 0.45 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 1x5g n VAL 15 Cb 0.50 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.24 1x5g n VAL 15 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1x5g s GLN 16 N -3.87 3.20 0.23 7.34 -1.52 -1.26 -4.99 119.66 118.78 1x5g s GLN 16 Ca 0.27 -0.30 0.11 0.00 -1.95 0.00 0.00 55.36 53.50 1x5g s GLN 16 Cb -0.01 -4.17 -0.05 0.00 -0.22 0.00 0.00 33.01 28.56 1x5g s GLN 16 CO 0.19 -2.06 -0.20 -0.51 -0.25 0.00 0.00 175.29 172.46 1x5g s LEU 17 N 5.42 2.52 0.75 2.90 1.02 -1.26 -4.69 118.68 125.34 1x5g s LEU 17 Ca 0.34 -0.96 -0.12 0.00 0.02 0.00 0.00 54.13 53.41 1x5g s LEU 17 Cb -0.09 -1.02 0.04 0.00 0.02 0.00 0.00 46.19 45.14 1x5g s LEU 17 CO 0.15 0.02 1.10 -2.16 0.02 0.00 0.00 176.35 175.48 1x5g s PRO 18 N -3.18 2.38 0.62 1.29 0.04 -1.26 -4.53 135.00 130.36 1x5g s PRO 18 Ca 0.24 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.58 1x5g s PRO 18 Cb -0.05 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1x5g s PRO 18 CO 0.11 -1.56 0.86 0.20 0.04 0.00 0.00 177.00 176.65 1x5g s GLY 19 N -3.21 1.71 0.23 0.56 0.00 -1.18 -3.62 107.32 101.81 1x5g s GLY 19 Ca 0.62 -2.14 -0.30 0.00 0.00 0.00 0.00 44.72 42.91 1x5g s GLY 19 CO 0.53 -1.62 1.28 2.56 0.00 0.00 0.00 173.10 175.85 1x5g s PRO 20 N -4.79 4.41 -0.24 2.90 0.04 -1.26 -4.67 135.00 131.39 1x5g s PRO 20 Ca 0.64 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1x5g s PRO 20 Cb -0.05 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1x5g s PRO 20 CO 0.41 -0.18 1.91 0.00 0.04 0.00 0.00 177.00 179.17 1x5g s ALA 21 N -0.26 2.98 1.24 8.56 0.00 -1.26 -4.43 121.76 128.59 1x5g s ALA 21 Ca 0.54 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 1x5g s ALA 21 Cb -0.36 -3.98 0.30 0.00 0.00 0.00 0.00 23.12 19.07 1x5g s ALA 21 CO 0.41 -2.43 1.05 -0.35 0.00 0.00 0.00 175.76 174.44 1x5g n PRO 22 N 8.28 -3.08 -4.22 0.00 -0.04 -1.15 -4.08 135.00 130.71 1x5g n PRO 22 Ca 0.24 -1.69 -0.34 0.00 -0.04 0.00 0.00 63.50 61.67 1x5g n PRO 22 Cb 0.45 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1x5g n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5g n ASN 23 N -4.81 -2.01 -4.55 3.54 5.03 -1.26 -0.21 115.26 110.99 1x5g n ASN 23 Ca 0.15 -1.07 -0.41 0.00 0.87 0.00 0.00 54.58 54.11 1x5g n ASN 23 Cb 0.57 -2.54 -0.03 0.00 -1.02 0.00 0.00 39.78 36.76 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1x5g s LEU 24 N -7.22 3.24 0.10 3.41 2.96 -1.26 -3.85 118.68 116.07 1x5g s LEU 24 Ca 0.52 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1x5g s LEU 24 Cb -0.29 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1x5g s LEU 24 CO 0.94 -1.79 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.05 1x5g s ARG 25 N 5.60 2.51 -0.12 1.98 1.81 0.18 -4.98 118.95 125.93 1x5g s ARG 25 Ca 0.35 -0.88 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 1x5g s ARG 25 Cb -0.08 -2.51 0.05 0.00 -0.45 0.00 0.00 34.95 31.96 1x5g s ARG 25 CO 0.16 0.53 0.27 0.00 -0.68 0.00 0.00 175.30 175.58 1x5g s ALA 26 N -1.36 -0.64 -0.15 2.13 0.00 -1.26 -0.82 121.76 119.65 1x5g s ALA 26 Ca 0.26 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1x5g s ALA 26 Cb -0.11 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1x5g s ALA 26 CO 0.18 -0.23 0.38 1.52 0.00 0.00 0.00 175.76 177.62 1x5g s TYR 27 N 1.34 -0.44 -0.62 0.00 -0.85 -0.91 -5.02 117.35 110.85 1x5g s TYR 27 Ca -0.09 1.05 -0.27 0.00 -0.52 0.00 0.00 57.07 57.24 1x5g s TYR 27 Cb -0.10 0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.41 1x5g s TYR 27 CO -0.09 -0.22 1.45 0.00 -1.52 0.00 0.00 175.55 175.17 1x5g s ALA 28 N 0.33 2.69 0.31 9.51 0.00 -1.26 -2.27 121.76 131.08 1x5g s ALA 28 Ca -0.01 -0.86 0.18 0.00 0.00 0.00 0.00 51.96 51.26 1x5g s ALA 28 Cb -0.03 -4.18 0.83 0.00 0.00 0.00 0.00 23.12 19.74 1x5g s ALA 28 CO -0.01 -3.18 1.83 0.00 0.00 0.00 0.00 175.76 174.40 1x5g h ALA 29 N 11.38 1.21 -2.58 0.00 0.00 -1.88 -3.44 119.26 123.95 1x5g h ALA 29 Ca -0.27 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1x5g h ALA 29 Cb 1.09 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1x5g h ALA 29 CO 1.21 0.42 -0.27 -1.54 0.00 0.00 0.00 179.25 179.07 1x5g s SER 30 N -6.61 -0.03 0.00 0.00 1.04 -1.24 -5.00 113.70 101.86 1x5g s SER 30 Ca -0.02 -0.43 0.14 0.00 0.48 0.00 0.00 55.95 56.12 1x5g s SER 30 Cb 0.13 0.37 0.84 0.00 0.10 0.00 0.00 66.02 67.46 1x5g s SER 30 CO 0.69 -0.72 1.26 -0.81 0.98 0.00 0.00 173.24 174.64 1x5g n PRO 31 N 0.12 0.49 0.00 4.02 -0.04 -1.26 -2.22 135.00 136.11 1x5g n PRO 31 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x5g n PRO 31 Cb 0.62 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.95 0.00 -4.40 0.52 -2.24 -1.26 -3.86 114.28 102.09 1x5g n THR 32 Ca 0.11 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 1x5g n THR 32 Cb 0.05 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.34 1x5g n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5g s SER 33 N -0.35 2.12 -0.24 3.42 0.15 -0.94 -0.18 113.70 117.68 1x5g s SER 33 Ca 0.00 -1.65 -0.09 0.00 0.70 0.00 0.00 55.95 54.91 1x5g s SER 33 Cb 0.00 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.88 1x5g s SER 33 CO 0.00 -0.94 0.52 -0.63 1.20 0.00 0.00 173.24 173.39 1x5g s ILE 34 N -3.40 -0.63 -0.17 6.45 1.01 0.66 -3.66 121.20 121.46 1x5g s ILE 34 Ca 0.32 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1x5g s ILE 34 Cb 0.03 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1x5g s ILE 34 CO 0.18 0.04 0.18 -0.89 0.00 0.00 0.00 174.94 174.45 1x5g s THR 35 N 2.47 5.39 -0.07 2.92 2.01 -0.96 -0.59 115.64 126.81 1x5g s THR 35 Ca -0.05 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1x5g s THR 35 Cb -0.11 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1x5g s THR 35 CO -0.15 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 1x5g s VAL 36 N 0.05 1.49 0.06 3.82 1.01 -0.05 -2.15 120.40 124.62 1x5g s VAL 36 Ca 0.12 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1x5g s VAL 36 Cb -0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1x5g s VAL 36 CO 0.01 0.43 -0.21 0.42 0.00 0.00 0.00 175.10 175.75 1x5g s THR 37 N 0.38 1.69 0.30 3.92 -4.23 -0.00 -1.68 115.64 116.02 1x5g s THR 37 Ca -0.12 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1x5g s THR 37 Cb -0.15 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1x5g s THR 37 CO 0.05 0.14 0.49 -1.66 -0.54 0.00 0.00 174.62 173.10 1x5g s TRP 38 N -0.89 0.65 0.31 3.99 -2.14 -1.09 0.50 118.94 120.26 1x5g s TRP 38 Ca 0.07 -0.98 0.07 0.00 2.66 0.00 0.00 56.10 57.92 1x5g s TRP 38 Cb -0.09 0.12 -0.06 0.00 -3.10 0.00 0.00 33.47 30.34 1x5g s TRP 38 CO 0.02 -1.09 -0.06 -1.21 -2.66 0.00 0.00 176.95 171.95 1x5g s GLU 39 N -3.47 1.66 0.06 3.25 0.41 0.70 -4.75 118.70 116.56 1x5g s GLU 39 Ca 0.26 -1.86 -0.24 0.00 -0.41 0.00 0.00 54.97 52.72 1x5g s GLU 39 Cb -0.01 -1.33 -0.06 0.00 -1.78 0.00 0.00 34.13 30.96 1x5g s GLU 39 CO 0.14 0.05 0.73 0.99 -0.49 0.00 0.00 175.26 176.68 1x5g s THR 40 N -2.90 4.70 -0.08 3.63 2.01 -1.26 -2.93 115.64 118.80 1x5g s THR 40 Ca 0.31 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.58 1x5g s THR 40 Cb 0.04 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1x5g s THR 40 CO 0.14 0.41 1.51 -2.16 -0.69 0.00 0.00 174.62 173.83 1x5g s PRO 41 N -0.30 4.20 0.53 4.92 0.04 -1.26 -4.64 135.00 138.49 1x5g s PRO 41 Ca 0.36 2.01 0.30 0.00 0.04 0.00 0.00 61.00 63.72 1x5g s PRO 41 Cb -0.21 -3.88 1.43 0.00 0.04 0.00 0.00 34.50 31.88 1x5g s PRO 41 CO 0.22 -0.78 2.03 -0.39 0.04 0.00 0.00 177.00 178.13 1x5g h VAL 42 N 5.50 0.38 -3.24 -0.36 -1.51 -1.95 -3.42 116.25 111.64 1x5g h VAL 42 Ca -0.35 -0.60 -0.58 0.00 -1.23 0.00 0.00 66.70 63.94 1x5g h VAL 42 Cb 1.15 1.43 -0.07 0.00 -2.13 0.00 0.00 31.29 31.68 1x5g h VAL 42 CO 0.96 0.10 -0.15 -0.44 -1.23 0.00 0.00 177.57 176.80 1x5g s SER 43 N -5.95 6.74 0.00 4.19 0.01 -1.26 -4.97 113.70 112.46 1x5g s SER 43 Ca -0.02 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1x5g s SER 43 Cb 0.12 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1x5g s SER 43 CO 0.57 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.94 1x5g n GLY 44 N 2.76 0.87 3.07 3.44 0.00 -1.26 -3.12 105.19 110.94 1x5g n GLY 44 Ca -0.09 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1x5g n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5g s ASN 45 N -4.00 0.64 0.63 1.61 -0.87 -1.26 -5.03 114.94 106.66 1x5g s ASN 45 Ca 0.00 -0.73 0.00 0.00 -1.57 0.00 0.00 52.86 50.56 1x5g s ASN 45 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.34 1x5g s ASN 45 CO 0.00 -0.38 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 1x5g n GLY 46 N 0.88 -3.33 3.74 0.66 0.00 -1.26 -4.76 105.19 101.11 1x5g n GLY 46 Ca -0.19 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 1x5g n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5g s GLU 47 N -4.30 4.52 0.10 1.61 2.12 -1.26 -4.99 118.70 116.51 1x5g s GLU 47 Ca 0.00 1.12 -0.36 0.00 0.36 0.00 0.00 54.97 56.09 1x5g s GLU 47 Cb 0.00 -3.38 -0.16 0.00 0.26 0.00 0.00 34.13 30.85 1x5g s GLU 47 CO 0.00 0.22 1.34 -0.89 -0.54 0.00 0.00 175.26 175.40 1x5g n ILE 48 N 2.99 0.11 0.02 -3.70 2.08 -1.26 -4.64 119.36 114.95 1x5g n ILE 48 Ca -0.01 -0.03 -0.18 0.00 0.56 0.00 0.00 62.75 63.09 1x5g n ILE 48 Cb 0.50 -0.90 -0.12 0.00 -0.75 0.00 0.00 39.64 38.37 1x5g n ILE 48 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1x5g h GLN 49 N 4.56 0.34 -3.01 0.38 1.08 -0.86 -3.48 115.11 114.11 1x5g h GLN 49 Ca -0.47 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 56.32 1x5g h GLN 49 Cb 1.33 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 28.81 1x5g h GLN 49 CO 0.78 1.13 0.21 1.21 -0.95 0.00 0.00 178.83 181.21 1x5g s ASN 50 N -6.78 -0.42 -0.16 1.46 3.84 -1.26 -5.05 114.94 106.57 1x5g s ASN 50 Ca -0.14 -0.28 0.01 0.00 0.21 0.00 0.00 52.86 52.66 1x5g s ASN 50 Cb 0.02 0.66 0.01 0.00 -0.55 0.00 0.00 41.25 41.39 1x5g s ASN 50 CO 0.82 -1.14 -0.19 -0.31 -2.79 0.00 0.00 177.10 173.49 1x5g s TYR 51 N -3.83 2.74 -0.24 0.43 2.02 -0.88 -3.03 117.35 114.56 1x5g s TYR 51 Ca 0.06 -1.33 -0.08 0.00 -0.37 0.00 0.00 57.07 55.34 1x5g s TYR 51 Cb -0.03 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1x5g s TYR 51 CO -0.04 -0.63 0.10 0.21 -1.57 0.00 0.00 175.55 173.62 1x5g s LYS 52 N 0.98 3.82 -0.15 -0.62 2.20 -1.02 -2.14 119.74 122.81 1x5g s LYS 52 Ca -0.03 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1x5g s LYS 52 Cb -0.15 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1x5g s LYS 52 CO -0.05 -0.08 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.63 1x5g s LEU 53 N 1.37 3.09 0.21 5.43 2.96 -1.08 -0.41 118.68 130.25 1x5g s LEU 53 Ca 0.06 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1x5g s LEU 53 Cb -0.15 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x5g s LEU 53 CO 0.05 0.17 0.27 -0.31 -1.32 0.00 0.00 176.35 175.21 1x5g s TYR 54 N 0.34 3.32 -0.28 5.38 1.51 0.49 -0.80 117.35 127.31 1x5g s TYR 54 Ca -0.06 -0.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.83 1x5g s TYR 54 Cb -0.15 -1.53 0.10 0.00 -0.11 0.00 0.00 41.96 40.27 1x5g s TYR 54 CO 0.04 0.49 0.75 1.52 -1.11 0.00 0.00 175.55 177.24 1x5g s TYR 55 N -1.94 -0.99 0.17 2.71 1.13 -1.20 -3.29 117.35 113.94 1x5g s TYR 55 Ca 0.33 1.94 -0.22 0.00 -1.41 0.00 0.00 57.07 57.72 1x5g s TYR 55 Cb -0.09 0.59 0.06 0.00 -1.10 0.00 0.00 41.96 41.42 1x5g s TYR 55 CO 0.27 -0.49 0.59 0.00 -2.51 0.00 0.00 175.55 173.41 1x5g s MET 56 N 1.71 1.33 0.30 -3.49 0.23 -1.10 -3.42 119.30 114.86 1x5g s MET 56 Ca -0.09 -0.59 -0.24 0.00 -1.03 0.00 0.00 55.69 53.74 1x5g s MET 56 Cb -0.05 0.58 -0.09 0.00 -1.53 0.00 0.00 34.83 33.73 1x5g s MET 56 CO -0.19 -0.58 0.88 -1.21 -2.03 0.00 0.00 175.02 171.89 1x5g s GLU 57 N -3.79 4.49 -0.39 3.16 2.02 -1.26 0.05 118.70 122.98 1x5g s GLU 57 Ca 0.03 1.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.94 1x5g s GLU 57 Cb -0.01 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1x5g s GLU 57 CO -0.10 0.31 1.85 0.21 0.02 0.00 0.00 175.26 177.56 1x5g s LYS 58 N -2.04 3.13 0.00 1.61 2.47 -1.20 -3.03 119.74 120.68 1x5g s LYS 58 Ca 0.48 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 1x5g s LYS 58 Cb -0.18 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 1x5g s LYS 58 CO 0.23 -2.10 0.00 0.41 0.16 0.00 0.00 175.35 174.05 1x5g n GLY 59 N 5.51 0.79 0.00 5.54 0.00 -1.26 -4.98 105.19 110.79 1x5g n GLY 59 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.95 2.61 -1.04 -1.17 -5.02 114.28 107.71 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 -0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.01 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 -1.34 -5.12 -3.54 8.00 9.92 -1.26 -4.94 116.55 118.27 1x5g n ASP 61 Ca 0.00 0.19 -0.28 0.00 -0.53 0.00 0.00 54.79 54.18 1x5g n ASP 61 Cb 0.26 -4.18 -0.11 0.00 -0.64 0.00 0.00 41.12 36.44 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1x5g s LYS 62 N -4.22 1.17 0.47 -1.24 2.47 -1.26 -5.12 119.74 112.01 1x5g s LYS 62 Ca 0.00 -2.17 -0.20 0.00 -1.56 0.00 0.00 55.97 52.04 1x5g s LYS 62 Cb 0.00 -1.88 -0.09 0.00 -1.46 0.00 0.00 37.83 34.40 1x5g s LYS 62 CO 0.00 -1.30 1.00 -2.00 0.16 0.00 0.00 175.35 173.20 1x5g s GLU 63 N 0.02 3.96 0.43 4.03 2.12 -1.26 -4.77 118.70 123.24 1x5g s GLU 63 Ca 0.27 1.20 0.03 0.00 0.36 0.00 0.00 54.97 56.83 1x5g s GLU 63 Cb -0.07 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1x5g s GLU 63 CO -0.13 -0.27 0.08 -0.65 -0.54 0.00 0.00 175.26 173.75 1x5g s GLN 64 N -3.37 1.98 -0.01 4.30 -0.21 -1.22 -5.00 119.66 116.12 1x5g s GLN 64 Ca 0.64 -2.21 -0.04 0.00 0.02 0.00 0.00 55.36 53.77 1x5g s GLN 64 Cb -0.12 -0.96 0.00 0.00 1.00 0.00 0.00 33.01 32.92 1x5g s GLN 64 CO 0.20 -0.39 0.08 0.16 -2.12 0.00 0.00 175.29 173.21 1x5g s ASP 65 N -3.68 0.00 0.03 5.90 1.47 -1.26 -3.26 116.67 115.87 1x5g s ASP 65 Ca 0.20 -0.06 0.03 0.00 1.18 0.00 0.00 52.55 53.91 1x5g s ASP 65 Cb 0.03 0.17 -0.02 0.00 -0.34 0.00 0.00 42.92 42.77 1x5g s ASP 65 CO 0.11 -0.17 -0.10 0.68 0.68 0.00 0.00 175.17 176.38 1x5g s VAL 66 N -0.63 0.73 -0.16 2.11 -7.23 0.02 -4.99 120.40 110.25 1x5g s VAL 66 Ca -0.07 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 1x5g s VAL 66 Cb -0.04 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 1x5g s VAL 66 CO 0.00 -0.09 1.20 1.51 -0.31 0.00 0.00 175.10 177.42 1x5g s ASP 67 N -1.00 7.00 -0.00 4.85 -4.77 -1.26 -2.63 116.67 118.85 1x5g s ASP 67 Ca -0.02 1.64 -0.00 0.00 -3.30 0.00 0.00 52.55 50.87 1x5g s ASP 67 Cb -0.07 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1x5g s ASP 67 CO 0.01 -0.71 0.01 -0.69 0.70 0.00 0.00 175.17 174.48 1x5g s VAL 68 N 3.25 -0.01 -0.35 2.11 1.01 -0.91 -4.99 120.40 120.52 1x5g s VAL 68 Ca 0.53 0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.66 1x5g s VAL 68 Cb -0.21 -0.02 0.45 0.00 0.00 0.00 0.00 36.38 36.61 1x5g s VAL 68 CO 0.14 0.01 1.05 -0.24 0.00 0.00 0.00 175.10 176.06 1x5g n SER 69 N 3.17 2.91 -3.89 3.32 2.88 -1.26 -2.07 113.62 118.68 1x5g n SER 69 Ca -0.13 -3.06 -0.09 0.00 -1.33 0.00 0.00 58.87 54.26 1x5g n SER 69 Cb 0.59 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 1x5g n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5g s SER 70 N -3.40 -0.17 -0.17 -3.46 1.04 -1.26 -5.02 113.70 101.25 1x5g s SER 70 Ca 0.37 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 56.13 1x5g s SER 70 Cb 0.42 0.61 0.46 0.00 0.10 0.00 0.00 66.02 67.60 1x5g s SER 70 CO -0.05 -1.15 1.31 1.41 0.98 0.00 0.00 173.24 175.75 1x5g n HIS 71 N -0.38 1.37 -3.56 5.02 8.25 -1.26 -4.79 115.22 119.87 1x5g n HIS 71 Ca -0.05 -0.65 -0.01 0.00 -0.26 0.00 0.00 57.72 56.75 1x5g n HIS 71 Cb 0.61 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x5g s SER 72 N -0.42 -0.55 0.03 0.41 1.04 -1.26 -2.67 113.70 110.27 1x5g s SER 72 Ca 0.32 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.59 1x5g s SER 72 Cb 0.25 1.39 -0.02 0.00 0.10 0.00 0.00 66.02 67.75 1x5g s SER 72 CO 0.09 -0.12 -0.04 -0.47 0.98 0.00 0.00 173.24 173.67 1x5g s TYR 73 N 1.77 0.37 -0.11 5.02 6.14 -0.68 -5.01 117.35 124.85 1x5g s TYR 73 Ca -0.07 -0.53 0.03 0.00 0.64 0.00 0.00 57.07 57.14 1x5g s TYR 73 Cb -0.05 -0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.09 1x5g s TYR 73 CO -0.16 -0.16 -0.20 0.99 0.64 0.00 0.00 175.55 176.65 1x5g s THR 74 N -1.47 1.86 -0.32 4.34 2.01 -1.26 -0.87 115.64 119.92 1x5g s THR 74 Ca -0.14 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1x5g s THR 74 Cb -0.10 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1x5g s THR 74 CO -0.01 0.51 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 1x5g s ILE 75 N 0.70 4.33 0.21 1.82 1.01 0.24 -4.93 121.20 124.58 1x5g s ILE 75 Ca -0.11 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1x5g s ILE 75 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1x5g s ILE 75 CO 0.02 0.01 0.21 0.20 0.00 0.00 0.00 174.94 175.37 1x5g s ASN 76 N 1.55 5.72 0.00 3.58 0.01 -1.26 -0.25 114.94 124.29 1x5g s ASN 76 Ca 0.03 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1x5g s ASN 76 Cb -0.18 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.95 1x5g s ASN 76 CO 0.05 -0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1x5g n GLY 77 N -0.90 0.49 3.51 0.66 0.00 -0.14 -4.96 105.19 103.85 1x5g n GLY 77 Ca -0.08 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.80 2.62 0.85 0.99 1.43 0.75 -5.03 118.68 119.50 1x5g s LEU 78 Ca 0.00 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 1x5g s LEU 78 Cb 0.00 -0.79 0.10 0.00 0.03 0.00 0.00 46.19 45.53 1x5g s LEU 78 CO 0.00 -0.34 1.14 -0.54 0.23 0.00 0.00 176.35 176.84 1x5g s LYS 79 N -3.70 1.63 0.18 1.70 1.02 -1.26 -4.50 119.74 114.81 1x5g s LYS 79 Ca 0.32 0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.59 1x5g s LYS 79 Cb 0.05 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 1x5g s LYS 79 CO 0.15 -1.86 0.41 0.15 -0.92 0.00 0.00 175.35 173.28 1x5g s LYS 80 N -5.34 3.61 -1.59 1.68 1.02 -1.25 -4.35 119.74 113.52 1x5g s LYS 80 Ca 0.62 -0.12 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 1x5g s LYS 80 Cb -0.13 -2.81 0.08 0.00 -0.52 0.00 0.00 37.83 34.44 1x5g s LYS 80 CO 0.52 0.41 0.49 0.98 -0.92 0.00 0.00 175.35 176.83 1x5g n TYR 81 N -0.22 -1.56 -4.39 3.18 9.36 -1.24 -4.94 117.16 117.34 1x5g n TYR 81 Ca -0.03 0.73 -0.19 0.00 3.32 0.00 0.00 57.90 61.74 1x5g n TYR 81 Cb 0.52 -3.10 -0.15 0.00 -0.63 0.00 0.00 39.34 35.98 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 -3.74 0.75 0.55 2.97 2.01 -1.26 -4.88 115.64 112.03 1x5g s THR 82 Ca 0.35 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 1x5g s THR 82 Cb -0.19 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1x5g s THR 82 CO 0.94 0.21 1.01 -0.70 -0.69 0.00 0.00 174.62 175.39 1x5g s GLU 83 N -0.18 3.77 -0.16 4.92 2.12 -1.26 -2.34 118.70 125.57 1x5g s GLU 83 Ca 0.03 0.98 -0.08 0.00 0.36 0.00 0.00 54.97 56.25 1x5g s GLU 83 Cb -0.04 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.30 1x5g s GLU 83 CO -0.00 -0.43 0.37 0.71 -0.54 0.00 0.00 175.26 175.37 1x5g s TYR 84 N -2.67 -0.54 0.42 5.30 1.51 0.06 -3.21 117.35 118.22 1x5g s TYR 84 Ca 0.59 1.17 -0.14 0.00 -1.01 0.00 0.00 57.07 57.68 1x5g s TYR 84 Cb -0.11 0.22 -0.08 0.00 -0.11 0.00 0.00 41.96 41.88 1x5g s TYR 84 CO 0.36 -0.32 0.85 0.45 -1.11 0.00 0.00 175.55 175.78 1x5g s SER 85 N 1.35 6.65 -0.16 2.29 0.15 0.11 -1.30 113.70 122.77 1x5g s SER 85 Ca -0.09 1.35 -0.10 0.00 0.70 0.00 0.00 55.95 57.81 1x5g s SER 85 Cb -0.09 -2.41 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 1x5g s SER 85 CO -0.12 -0.41 0.40 -0.36 1.20 0.00 0.00 173.24 173.95 1x5g s PHE 86 N -2.35 -0.57 -0.13 3.44 0.08 -1.04 -2.69 117.98 114.71 1x5g s PHE 86 Ca 0.55 1.24 -0.09 0.00 0.12 0.00 0.00 56.93 58.75 1x5g s PHE 86 Cb -0.10 0.24 0.04 0.00 -0.57 0.00 0.00 43.02 42.63 1x5g s PHE 86 CO 0.27 -0.32 0.33 -0.98 -0.10 0.00 0.00 175.22 174.41 1x5g s ARG 87 N 1.24 0.34 0.03 0.44 1.70 -1.21 -0.53 118.95 120.97 1x5g s ARG 87 Ca -0.08 0.56 0.02 0.00 -0.47 0.00 0.00 55.73 55.75 1x5g s ARG 87 Cb -0.08 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.33 1x5g s ARG 87 CO -0.11 -0.10 0.05 0.08 -1.08 0.00 0.00 175.30 174.14 1x5g s VAL 88 N 0.74 4.42 -0.05 4.99 1.01 -1.26 -0.38 120.40 129.88 1x5g s VAL 88 Ca -0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1x5g s VAL 88 Cb -0.06 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1x5g s VAL 88 CO -0.05 0.27 -0.20 -0.69 0.00 0.00 0.00 175.10 174.43 1x5g s VAL 89 N -1.23 1.64 0.21 2.92 1.01 0.45 -2.47 120.40 122.94 1x5g s VAL 89 Ca 0.24 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1x5g s VAL 89 Cb -0.12 -1.40 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 1x5g s VAL 89 CO 0.16 0.47 0.67 0.00 0.00 0.00 0.00 175.10 176.39 1x5g s ALA 90 N -0.04 3.45 0.01 5.51 0.00 -1.26 -2.44 121.76 127.00 1x5g s ALA 90 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1x5g s ALA 90 Cb -0.12 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1x5g s ALA 90 CO 0.03 0.37 -0.14 0.71 0.00 0.00 0.00 175.76 176.73 1x5g s TYR 91 N -1.56 1.21 0.05 0.00 1.51 -1.17 -2.81 117.35 114.58 1x5g s TYR 91 Ca 0.43 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1x5g s TYR 91 Cb -0.15 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1x5g s TYR 91 CO 0.20 0.01 0.24 -0.80 -1.11 0.00 0.00 175.55 174.08 1x5g s ASN 92 N -0.68 -0.02 0.39 2.29 0.01 -1.23 -0.11 114.94 115.60 1x5g s ASN 92 Ca 0.04 -0.34 0.27 0.00 -0.71 0.00 0.00 52.86 52.12 1x5g s ASN 92 Cb -0.06 0.32 1.36 0.00 0.41 0.00 0.00 41.25 43.28 1x5g s ASN 92 CO 0.00 -0.61 1.46 2.29 -1.51 0.00 0.00 177.10 178.74 1x5g n LYS 93 N 0.53 -0.04 0.19 -0.60 2.85 -1.26 -0.52 118.16 119.32 1x5g n LYS 93 Ca -0.18 1.21 -0.08 0.00 -1.05 0.00 0.00 58.31 58.20 1x5g n LYS 93 Cb 0.60 -2.31 -0.04 0.00 -0.65 0.00 0.00 35.03 32.62 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 -0.49 0.00 5.58 3.86 -1.95 -3.50 115.15 118.65 1x5g h HIS 94 Ca 0.82 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 60.01 1x5g h HIS 94 Cb 2.50 0.16 0.00 0.00 1.06 0.00 0.00 27.41 31.13 1x5g h HIS 94 CO -0.01 -0.31 0.00 0.41 0.86 0.00 0.00 177.93 178.89 1x5g n GLY 95 N 0.04 0.83 3.61 2.45 0.00 0.32 -5.11 105.19 107.33 1x5g n GLY 95 Ca -0.07 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 1x5g n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 96 N -2.00 3.60 0.00 1.61 0.04 -1.26 -3.51 135.00 133.48 1x5g s PRO 96 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1x5g s PRO 96 Cb 0.00 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1x5g s PRO 96 CO 0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1x5g n GLY 97 N 4.99 -1.32 1.67 0.56 0.00 -1.12 -4.97 105.19 104.99 1x5g n GLY 97 Ca 0.20 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.24 0.00 -3.99 1.61 0.24 -1.24 -4.76 118.33 109.95 1x5g n VAL 98 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1x5g n VAL 98 Cb 0.00 -0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.42 0.35 0.67 -1.34 0.15 -1.26 -4.15 113.70 105.69 1x5g s SER 99 Ca 0.32 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 1x5g s SER 99 Cb -0.06 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1x5g s SER 99 CO 0.27 -0.16 1.19 0.42 1.20 0.00 0.00 173.24 176.16 1x5g s THR 100 N -0.90 2.59 0.14 6.45 -4.23 -1.03 -4.95 115.64 113.70 1x5g s THR 100 Ca -0.08 0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 60.43 1x5g s THR 100 Cb -0.06 -2.95 -0.08 0.00 1.34 0.00 0.00 72.50 70.74 1x5g s THR 100 CO -0.00 -0.13 1.34 -2.16 -0.54 0.00 0.00 174.62 173.13 1x5g s PRO 101 N -3.72 4.35 0.06 3.99 0.04 -1.26 -4.66 135.00 133.80 1x5g s PRO 101 Ca 0.74 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.56 1x5g s PRO 101 Cb -0.28 -3.24 -0.14 0.00 0.04 0.00 0.00 34.50 30.88 1x5g s PRO 101 CO 0.40 -0.36 0.63 -0.25 0.04 0.00 0.00 177.00 177.47 1x5g n ASP 102 N 3.49 -0.38 -3.90 6.66 8.00 -1.26 -4.84 116.55 124.33 1x5g n ASP 102 Ca 0.09 0.86 -0.28 0.00 0.71 0.00 0.00 54.79 56.17 1x5g n ASP 102 Cb 0.43 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5g s VAL 103 N -0.30 2.85 0.23 2.53 1.01 0.31 -4.87 120.40 122.16 1x5g s VAL 103 Ca 0.60 -4.23 -0.30 0.00 0.00 0.00 0.00 61.98 58.05 1x5g s VAL 103 Cb -0.85 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1x5g s VAL 103 CO 0.42 -1.00 1.12 0.00 0.00 0.00 0.00 175.10 175.65 1x5g s ALA 104 N -1.40 3.41 -0.04 5.51 0.00 -1.26 -2.51 121.76 125.47 1x5g s ALA 104 Ca 0.25 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 1x5g s ALA 104 Cb -0.05 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1x5g s ALA 104 CO -0.16 -0.23 0.19 0.54 0.00 0.00 0.00 175.76 176.10 1x5g s VAL 105 N -0.65 0.04 -0.07 0.00 0.11 -0.42 -4.90 120.40 114.51 1x5g s VAL 105 Ca 0.48 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1x5g s VAL 105 Cb -0.31 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1x5g s VAL 105 CO 0.38 -0.18 0.38 -0.60 -3.33 0.00 0.00 175.10 171.76 1x5g s ARG 106 N -0.63 4.08 0.71 1.54 3.52 -1.26 -0.76 118.95 126.15 1x5g s ARG 106 Ca -0.07 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.74 1x5g s ARG 106 Cb -0.04 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1x5g s ARG 106 CO 0.01 0.46 1.08 0.95 -0.81 0.00 0.00 175.30 176.99 1x5g s THR 107 N -0.29 3.67 0.27 4.11 -4.23 -0.99 -4.62 115.64 113.56 1x5g s THR 107 Ca 0.22 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.98 1x5g s THR 107 Cb -0.15 -3.45 -0.10 0.00 1.34 0.00 0.00 72.50 70.14 1x5g s THR 107 CO 0.10 -0.71 1.37 -0.76 -0.54 0.00 0.00 174.62 174.08 1x5g s LEU 108 N -5.44 4.41 0.55 4.79 1.43 -1.26 -4.02 118.68 119.13 1x5g s LEU 108 Ca 0.58 2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 56.12 1x5g s LEU 108 Cb -0.12 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1x5g s LEU 108 CO 0.53 -0.61 1.10 -0.94 0.23 0.00 0.00 176.35 176.67 1x5g s SER 109 N 0.05 5.79 -0.13 2.29 1.04 -1.26 -3.64 113.70 117.84 1x5g s SER 109 Ca 0.55 2.09 -0.10 0.00 0.48 0.00 0.00 55.95 58.96 1x5g s SER 109 Cb -0.40 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.09 1x5g s SER 109 CO 0.46 -1.17 -0.23 -0.67 0.98 0.00 0.00 173.24 172.61 1x5g n ASP 110 N -1.39 1.45 -0.05 7.02 2.03 -1.26 -4.85 116.55 119.51 1x5g n ASP 110 Ca 0.11 0.24 -0.02 0.00 0.52 0.00 0.00 54.79 55.64 1x5g n ASP 110 Cb 0.51 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 40.34 1x5g n ASP 110 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1x5g h SER 111 N -0.64 0.00 0.00 1.67 0.87 -2.01 -3.44 113.55 110.00 1x5g h SER 111 Ca -0.23 -0.08 -0.33 0.00 -1.23 0.00 0.00 61.79 59.92 1x5g h SER 111 Cb 1.02 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.91 1x5g h SER 111 CO -0.14 0.57 1.31 0.61 -0.53 0.00 0.00 176.83 178.65 1x5g n GLY 112 N 1.75 -0.35 3.48 5.77 0.00 -1.26 -4.85 105.19 109.73 1x5g n GLY 112 Ca -0.02 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 1x5g n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5g n PRO 113 N 5.53 -3.15 -2.36 1.61 -0.04 -1.26 -4.88 135.00 130.45 1x5g n PRO 113 Ca 0.48 -1.74 -0.36 0.00 -0.04 0.00 0.00 63.50 61.84 1x5g n PRO 113 Cb 0.04 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 1x5g n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5g s SER 114 N -4.43 6.03 -0.09 3.54 0.15 -1.26 -4.76 113.70 112.89 1x5g s SER 114 Ca 0.71 -1.74 -0.04 0.00 0.70 0.00 0.00 55.95 55.57 1x5g s SER 114 Cb -0.07 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1x5g s SER 114 CO 0.54 -1.99 0.16 0.28 1.20 0.00 0.00 173.24 173.43 1x5g h SER 115 N 9.22 -0.11 0.00 5.45 0.02 -2.00 -3.57 113.55 122.55 1x5g h SER 115 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1x5g h SER 115 Cb 0.94 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1x5g h SER 115 CO 1.35 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 178.03