#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g n SER 2 N 0.00 -2.41 -4.03 1.61 3.41 -1.26 0.25 113.62 111.20 1x5g n SER 2 Ca 0.00 -1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 57.24 1x5g n SER 2 Cb 0.00 -2.60 0.00 0.00 -0.26 0.00 0.00 64.21 61.35 1x5g n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5g n SER 3 N -2.70 -3.56 -4.41 4.04 7.64 -1.26 -4.93 113.62 108.44 1x5g n SER 3 Ca -0.01 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 1x5g n SER 3 Cb 0.53 -3.38 -0.11 0.00 -1.01 0.00 0.00 64.21 60.24 1x5g n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5g s GLY 4 N -3.48 1.91 0.04 0.23 0.00 0.14 -5.07 107.32 101.10 1x5g s GLY 4 Ca 0.59 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1x5g s GLY 4 CO 0.87 0.78 -0.07 -0.56 0.00 0.00 0.00 173.10 174.13 1x5g s SER 5 N 1.59 0.77 -0.30 1.64 0.01 -1.26 -4.89 113.70 111.27 1x5g s SER 5 Ca 0.03 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x5g s SER 5 Cb -0.18 0.05 0.19 0.00 0.21 0.00 0.00 66.02 66.29 1x5g s SER 5 CO 0.07 -0.23 0.68 -0.44 0.41 0.00 0.00 173.24 173.72 1x5g s SER 6 N -1.62 -1.31 0.00 2.44 0.01 -1.26 -5.04 113.70 106.92 1x5g s SER 6 Ca -0.10 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1x5g s SER 6 Cb -0.09 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.11 1x5g s SER 6 CO -0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x5g n GLY 7 N 5.41 0.16 3.55 3.44 0.00 -1.26 -4.99 105.19 111.50 1x5g n GLY 7 Ca 0.01 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1x5g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5g s ARG 8 N -1.80 3.26 -0.09 1.61 1.81 -1.26 -5.00 118.95 117.48 1x5g s ARG 8 Ca 0.00 -0.42 -0.12 0.00 -1.72 0.00 0.00 55.73 53.48 1x5g s ARG 8 Cb 0.00 -4.38 -0.05 0.00 -0.45 0.00 0.00 34.95 30.07 1x5g s ARG 8 CO 0.00 -2.15 0.27 0.14 -0.68 0.00 0.00 175.30 172.89 1x5g s VAL 9 N 5.53 5.29 -0.98 3.52 -7.23 -1.26 -4.98 120.40 120.29 1x5g s VAL 9 Ca 0.36 0.52 0.22 0.00 -1.81 0.00 0.00 61.98 61.27 1x5g s VAL 9 Cb -0.07 -3.57 -0.15 0.00 0.56 0.00 0.00 36.38 33.15 1x5g s VAL 9 CO 0.10 0.54 1.07 1.21 -0.31 0.00 0.00 175.10 177.71 1x5g n GLU 10 N 2.38 0.02 -2.66 4.82 2.13 -1.26 -4.94 120.64 121.12 1x5g n GLU 10 Ca -0.16 -0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.53 1x5g n GLU 10 Cb 0.53 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.71 1x5g n GLU 10 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5g n THR 11 N -1.52 0.00 -1.22 6.31 -2.24 -1.26 -4.56 114.28 109.78 1x5g n THR 11 Ca 0.04 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.31 1x5g n THR 11 Cb 0.34 -0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1x5g n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5g n GLN 12 N -2.30 0.00 -1.11 -0.78 10.64 -1.26 -4.88 117.38 117.69 1x5g n GLN 12 Ca 0.04 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.91 1x5g n GLN 12 Cb 0.34 -1.40 0.22 0.00 -0.86 0.00 0.00 30.24 28.53 1x5g n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1x5g s PRO 13 N 6.30 -0.64 1.11 2.61 0.04 -1.26 -5.01 135.00 138.16 1x5g s PRO 13 Ca 1.16 0.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 1x5g s PRO 13 Cb -1.34 -1.65 0.13 0.00 0.04 0.00 0.00 34.50 31.68 1x5g s PRO 13 CO 0.58 -3.37 0.07 0.39 0.04 0.00 0.00 177.00 174.71 1x5g n GLU 14 N -4.55 -1.90 -2.08 4.56 -0.58 -1.26 -4.82 120.64 110.00 1x5g n GLU 14 Ca 0.10 -0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 55.89 1x5g n GLU 14 Cb 0.59 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1x5g n GLU 14 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1x5g n VAL 15 N -4.49 4.97 -2.47 2.62 0.24 -1.26 -4.55 118.33 113.39 1x5g n VAL 15 Ca 0.02 -4.31 -0.14 0.00 -2.04 0.00 0.00 64.34 57.87 1x5g n VAL 15 Cb 0.57 -2.17 0.03 0.00 -1.47 0.00 0.00 33.84 30.79 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x5g n GLN 16 N 2.38 2.58 -4.18 7.34 10.64 -1.26 -5.08 117.38 129.80 1x5g n GLN 16 Ca 0.56 -3.86 -0.23 0.00 -1.83 0.00 0.00 57.00 51.64 1x5g n GLN 16 Cb 0.28 -1.89 -0.06 0.00 -0.86 0.00 0.00 30.24 27.71 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x5g s LEU 17 N -3.59 3.41 1.03 2.61 2.01 -1.26 -4.82 118.68 118.07 1x5g s LEU 17 Ca 0.39 -0.55 -0.13 0.00 0.01 0.00 0.00 54.13 53.84 1x5g s LEU 17 Cb 0.39 -1.93 0.21 0.00 0.01 0.00 0.00 46.19 44.87 1x5g s LEU 17 CO -0.02 -0.09 1.09 -2.16 1.01 0.00 0.00 176.35 176.18 1x5g s PRO 18 N -3.78 0.15 0.54 1.29 0.04 -1.26 -4.47 135.00 127.52 1x5g s PRO 18 Ca 0.34 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1x5g s PRO 18 Cb -0.06 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.81 1x5g s PRO 18 CO 0.22 -2.90 0.76 0.20 0.04 0.00 0.00 177.00 175.32 1x5g s GLY 19 N -3.49 1.84 -0.01 0.56 0.00 -1.17 -3.39 107.32 101.65 1x5g s GLY 19 Ca 0.66 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.58 1x5g s GLY 19 CO 0.58 -1.19 1.46 2.56 0.00 0.00 0.00 173.10 176.50 1x5g s PRO 20 N -4.71 4.25 -0.27 2.90 0.04 -1.26 -4.64 135.00 131.30 1x5g s PRO 20 Ca 0.58 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 63.32 1x5g s PRO 20 Cb -0.09 -3.66 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 1x5g s PRO 20 CO 0.38 -0.65 2.20 0.00 0.04 0.00 0.00 177.00 178.97 1x5g n ALA 21 N 5.77 1.43 -1.04 8.56 0.00 -1.26 -4.55 120.51 129.42 1x5g n ALA 21 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1x5g n ALA 21 Cb 0.43 -2.73 0.22 0.00 0.00 0.00 0.00 19.45 17.37 1x5g n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5g n PRO 22 N 8.43 -2.89 -4.18 0.00 -0.04 -1.20 -4.15 135.00 130.96 1x5g n PRO 22 Ca 0.35 -1.52 -0.31 0.00 -0.04 0.00 0.00 63.50 61.99 1x5g n PRO 22 Cb 0.34 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 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 -4.64 -0.56 -4.56 3.54 5.03 -1.26 -1.01 115.26 111.80 1x5g n ASN 23 Ca 0.13 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 54.04 1x5g n ASN 23 Cb 0.51 -2.36 -0.03 0.00 -1.02 0.00 0.00 39.78 36.88 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 -7.19 3.45 0.23 3.41 2.96 -1.26 -3.82 118.68 116.46 1x5g s LEU 24 Ca 0.22 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1x5g s LEU 24 Cb -0.12 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 1x5g s LEU 24 CO 0.95 -1.58 0.01 -0.13 -1.32 0.00 0.00 176.35 174.28 1x5g s ARG 25 N 5.09 2.36 -0.20 1.98 1.81 0.95 -5.01 118.95 125.93 1x5g s ARG 25 Ca 0.38 -1.29 -0.10 0.00 -1.72 0.00 0.00 55.73 53.01 1x5g s ARG 25 Cb -0.08 -2.25 0.07 0.00 -0.45 0.00 0.00 34.95 32.24 1x5g s ARG 25 CO 0.21 0.40 0.47 0.00 -0.68 0.00 0.00 175.30 175.70 1x5g s ALA 26 N -2.09 -1.27 -0.03 2.13 0.00 -1.26 -1.68 121.76 117.56 1x5g s ALA 26 Ca 0.30 1.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.94 1x5g s ALA 26 Cb -0.08 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1x5g s ALA 26 CO 0.20 -0.44 0.10 1.52 0.00 0.00 0.00 175.76 177.14 1x5g s TYR 27 N 1.81 -0.08 -0.61 0.00 1.13 -0.30 -5.03 117.35 114.27 1x5g s TYR 27 Ca -0.08 0.21 -0.28 0.00 -1.41 0.00 0.00 57.07 55.51 1x5g s TYR 27 Cb -0.09 0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.82 1x5g s TYR 27 CO -0.14 -0.09 1.26 0.00 -2.51 0.00 0.00 175.55 174.07 1x5g s ALA 28 N -0.16 2.90 0.24 9.51 0.00 -1.26 -0.95 121.76 132.05 1x5g s ALA 28 Ca -0.02 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.15 1x5g s ALA 28 Cb -0.02 -4.10 0.36 0.00 0.00 0.00 0.00 23.12 19.36 1x5g s ALA 28 CO 0.00 -2.86 1.60 0.00 0.00 0.00 0.00 175.76 174.51 1x5g h ALA 29 N 9.99 0.93 -2.66 0.00 0.00 -1.88 -3.46 119.26 122.19 1x5g h ALA 29 Ca -0.26 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 1x5g h ALA 29 Cb 1.06 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1x5g h ALA 29 CO 1.20 0.76 -0.17 -1.12 0.00 0.00 0.00 179.25 179.92 1x5g s SER 30 N -6.77 -0.13 0.00 0.00 0.01 -1.22 -5.00 113.70 100.59 1x5g s SER 30 Ca -0.01 -0.38 0.10 0.00 1.31 0.00 0.00 55.95 56.97 1x5g s SER 30 Cb 0.12 0.42 0.62 0.00 0.21 0.00 0.00 66.02 67.39 1x5g s SER 30 CO 0.76 -0.79 1.05 -0.81 0.41 0.00 0.00 173.24 173.86 1x5g n PRO 31 N -0.07 0.49 0.00 12.44 -0.04 -1.26 -2.11 135.00 144.44 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 0.63 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.83 0.00 -4.27 0.52 -2.24 -1.26 -3.69 114.28 102.50 1x5g n THR 32 Ca 0.08 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1x5g n THR 32 Cb 0.04 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.44 1.34 -0.18 3.42 1.04 -0.90 -1.05 113.70 116.94 1x5g s SER 33 Ca 0.00 -1.66 -0.07 0.00 0.48 0.00 0.00 55.95 54.70 1x5g s SER 33 Cb 0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.70 1x5g s SER 33 CO 0.00 -1.00 0.39 -0.63 0.98 0.00 0.00 173.24 172.98 1x5g s ILE 34 N -3.62 -0.45 -0.18 -1.02 1.01 -0.66 -3.41 121.20 112.86 1x5g s ILE 34 Ca 0.40 0.17 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 1x5g s ILE 34 Cb 0.04 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1x5g s ILE 34 CO 0.23 0.07 0.51 -0.89 0.00 0.00 0.00 174.94 174.87 1x5g s THR 35 N 2.27 5.12 -0.07 2.92 2.01 -0.12 -1.81 115.64 125.96 1x5g s THR 35 Ca -0.03 0.97 0.05 0.00 0.31 0.00 0.00 61.69 62.98 1x5g s THR 35 Cb -0.11 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 1x5g s THR 35 CO -0.12 0.21 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.11 1x5g s VAL 36 N 1.40 1.82 -0.07 3.82 1.01 -0.66 -1.15 120.40 126.56 1x5g s VAL 36 Ca 0.25 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1x5g s VAL 36 Cb -0.15 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1x5g s VAL 36 CO 0.10 0.51 -0.16 0.42 0.00 0.00 0.00 175.10 175.97 1x5g s THR 37 N 0.09 1.40 0.24 3.92 -4.23 -0.68 -2.13 115.64 114.26 1x5g s THR 37 Ca -0.09 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1x5g s THR 37 Cb -0.14 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 1x5g s THR 37 CO 0.05 0.41 0.02 -1.66 -0.54 0.00 0.00 174.62 172.90 1x5g s TRP 38 N 0.54 1.59 0.34 3.99 -2.14 -1.24 -0.04 118.94 121.99 1x5g s TRP 38 Ca -0.15 -0.97 0.09 0.00 2.66 0.00 0.00 56.10 57.73 1x5g s TRP 38 Cb -0.16 -0.94 -0.05 0.00 -3.10 0.00 0.00 33.47 29.22 1x5g s TRP 38 CO 0.05 -0.08 0.02 -1.21 -2.66 0.00 0.00 176.95 173.07 1x5g s GLU 39 N -3.89 2.08 0.07 3.25 0.41 -0.18 -4.77 118.70 115.66 1x5g s GLU 39 Ca 0.30 -1.76 -0.24 0.00 -0.41 0.00 0.00 54.97 52.87 1x5g s GLU 39 Cb 0.06 -1.93 -0.06 0.00 -1.78 0.00 0.00 34.13 30.43 1x5g s GLU 39 CO 0.10 0.12 0.72 0.99 -0.49 0.00 0.00 175.26 176.70 1x5g s THR 40 N -2.52 4.67 -0.16 3.63 2.01 -1.26 -3.22 115.64 118.78 1x5g s THR 40 Ca 0.35 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1x5g s THR 40 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1x5g s THR 40 CO 0.19 0.43 1.57 -2.16 -0.69 0.00 0.00 174.62 173.97 1x5g s PRO 41 N -0.47 3.98 0.35 4.92 0.04 -1.26 -4.60 135.00 137.96 1x5g s PRO 41 Ca 0.35 1.81 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1x5g s PRO 41 Cb -0.21 -3.98 0.89 0.00 0.04 0.00 0.00 34.50 31.25 1x5g s PRO 41 CO 0.22 -1.07 1.79 -0.39 0.04 0.00 0.00 177.00 177.60 1x5g h VAL 42 N 5.87 0.66 -3.31 -0.36 -1.51 -1.95 -3.39 116.25 112.26 1x5g h VAL 42 Ca -0.34 -0.21 -0.57 0.00 -1.23 0.00 0.00 66.70 64.35 1x5g h VAL 42 Cb 1.15 -0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 30.25 1x5g h VAL 42 CO 0.98 0.11 -0.05 -0.44 -1.23 0.00 0.00 177.57 176.94 1x5g s SER 43 N -5.43 6.85 -0.30 4.19 0.01 -1.26 -5.04 113.70 112.72 1x5g s SER 43 Ca -0.10 1.02 -0.20 0.00 1.31 0.00 0.00 55.95 57.98 1x5g s SER 43 Cb 0.25 -2.34 0.19 0.00 0.21 0.00 0.00 66.02 64.33 1x5g s SER 43 CO 0.80 0.03 1.29 -0.83 0.41 0.00 0.00 173.24 174.93 1x5g s GLY 44 N 0.29 0.44 0.24 3.44 0.00 -1.26 -3.04 107.32 107.44 1x5g s GLY 44 Ca 0.30 3.61 -0.05 0.00 0.00 0.00 0.00 44.72 48.59 1x5g s GLY 44 CO 0.14 2.42 1.84 -0.57 0.00 0.00 0.00 173.10 176.93 1x5g h ASN 45 N 4.47 0.78 -5.44 1.64 -1.24 -1.88 -3.45 115.58 110.46 1x5g h ASN 45 Ca -0.27 0.03 -0.19 0.00 0.71 0.00 0.00 56.30 56.59 1x5g h ASN 45 Cb 1.17 -0.13 -0.11 0.00 0.73 0.00 0.00 38.32 39.99 1x5g h ASN 45 CO 0.21 0.48 -0.29 -0.83 -1.29 0.00 0.00 177.43 175.70 1x5g s GLY 46 N -3.22 1.13 0.29 1.57 0.00 -1.26 -5.13 107.32 100.69 1x5g s GLY 46 Ca -0.12 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 1x5g s GLY 46 CO 0.79 -0.98 1.61 -0.54 0.00 0.00 0.00 173.10 173.98 1x5g s GLU 47 N -3.76 4.11 0.27 2.90 2.02 -1.26 -4.93 118.70 118.06 1x5g s GLU 47 Ca 0.30 2.59 -0.30 0.00 0.02 0.00 0.00 54.97 57.59 1x5g s GLU 47 Cb 0.02 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.12 1x5g s GLU 47 CO 0.14 -0.65 1.44 0.42 0.02 0.00 0.00 175.26 176.62 1x5g s ILE 48 N 0.10 2.57 -0.15 -1.63 -1.09 -1.26 -4.67 121.20 115.07 1x5g s ILE 48 Ca 0.64 0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 59.42 1x5g s ILE 48 Cb -0.48 -3.32 -0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1x5g s ILE 48 CO 0.47 0.09 0.15 1.56 -1.23 0.00 0.00 174.94 175.98 1x5g h GLN 49 N 4.65 0.00 -3.92 2.79 1.08 -1.87 -3.50 115.11 114.34 1x5g h GLN 49 Ca -0.47 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.63 1x5g h GLN 49 Cb 1.22 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.52 1x5g h GLN 49 CO 0.75 0.47 -0.38 1.21 -0.95 0.00 0.00 178.83 179.94 1x5g s ASN 50 N -6.11 0.10 -0.09 1.46 3.84 -1.11 -5.07 114.94 107.98 1x5g s ASN 50 Ca -0.16 -0.83 0.01 0.00 0.21 0.00 0.00 52.86 52.08 1x5g s ASN 50 Cb 0.02 0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 41.08 1x5g s ASN 50 CO 0.37 -0.82 -0.11 -0.31 -2.79 0.00 0.00 177.10 173.44 1x5g s TYR 51 N -3.94 2.82 -0.15 0.43 2.02 -1.23 -2.29 117.35 115.01 1x5g s TYR 51 Ca 0.14 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1x5g s TYR 51 Cb 0.04 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1x5g s TYR 51 CO -0.04 0.10 -0.04 0.21 -1.57 0.00 0.00 175.55 174.21 1x5g s LYS 52 N -0.36 3.65 -0.27 -0.62 2.47 0.17 -2.87 119.74 121.92 1x5g s LYS 52 Ca 0.04 -0.53 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 1x5g s LYS 52 Cb -0.12 -2.90 0.08 0.00 -1.46 0.00 0.00 37.83 33.42 1x5g s LYS 52 CO 0.02 0.24 -0.01 -1.17 0.16 0.00 0.00 175.35 174.59 1x5g s LEU 53 N 0.37 3.11 0.47 5.43 2.96 -1.21 -0.19 118.68 129.63 1x5g s LEU 53 Ca -0.05 -1.49 -0.06 0.00 -0.22 0.00 0.00 54.13 52.31 1x5g s LEU 53 Cb -0.14 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1x5g s LEU 53 CO 0.03 -0.29 0.79 -0.31 -1.32 0.00 0.00 176.35 175.25 1x5g s TYR 54 N 1.28 3.55 -0.25 5.38 1.51 -0.60 -2.86 117.35 125.36 1x5g s TYR 54 Ca -0.00 0.87 -0.20 0.00 -1.01 0.00 0.00 57.07 56.73 1x5g s TYR 54 Cb -0.19 -2.34 0.07 0.00 -0.11 0.00 0.00 41.96 39.39 1x5g s TYR 54 CO -0.09 -0.26 0.65 1.52 -1.11 0.00 0.00 175.55 176.26 1x5g s TYR 55 N -2.69 -0.82 0.16 2.71 1.13 -1.22 -3.12 117.35 113.50 1x5g s TYR 55 Ca 0.48 1.85 -0.19 0.00 -1.41 0.00 0.00 57.07 57.80 1x5g s TYR 55 Cb -0.10 0.36 0.05 0.00 -1.10 0.00 0.00 41.96 41.17 1x5g s TYR 55 CO 0.43 -0.40 0.52 0.00 -2.51 0.00 0.00 175.55 173.59 1x5g s MET 56 N 0.80 1.26 0.07 -3.49 0.23 -1.12 -2.73 119.30 114.32 1x5g s MET 56 Ca -0.04 -0.67 -0.25 0.00 -1.03 0.00 0.00 55.69 53.71 1x5g s MET 56 Cb -0.05 0.54 -0.06 0.00 -1.53 0.00 0.00 34.83 33.73 1x5g s MET 56 CO -0.06 -0.53 0.76 -2.00 -2.03 0.00 0.00 175.02 171.16 1x5g s GLU 57 N -3.80 4.50 -0.42 3.16 2.12 -1.26 -0.04 118.70 122.96 1x5g s GLU 57 Ca 0.04 1.08 -0.27 0.00 0.36 0.00 0.00 54.97 56.18 1x5g s GLU 57 Cb -0.00 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.98 1x5g s GLU 57 CO -0.09 0.35 2.37 1.17 -0.54 0.00 0.00 175.26 178.51 1x5g n LYS 58 N 2.53 1.28 0.00 4.30 3.00 -1.17 -2.40 118.16 125.70 1x5g n LYS 58 Ca -0.03 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1x5g n LYS 58 Cb 0.50 -3.32 0.00 0.00 0.00 0.00 0.00 35.03 32.21 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 5.97 1.11 0.00 3.14 0.00 -1.26 -4.97 105.19 109.17 1x5g n GLY 59 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.05 0.00 -2.01 2.61 -1.04 -1.01 -5.04 114.28 107.74 1x5g n THR 60 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1x5g n THR 60 Cb 0.00 -0.31 -0.01 0.00 -1.82 0.00 0.00 70.33 68.19 1x5g n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5g n ASP 61 N -2.03 -3.03 -3.38 8.00 -0.08 -1.26 -5.01 116.55 109.76 1x5g n ASP 61 Ca 0.00 0.02 -0.11 0.00 -1.51 0.00 0.00 54.79 53.19 1x5g n ASP 61 Cb 0.29 -2.17 -0.09 0.00 2.34 0.00 0.00 41.12 41.49 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1x5g s LYS 62 N -4.13 0.32 0.28 -0.67 -0.14 -1.26 -5.16 119.74 108.99 1x5g s LYS 62 Ca 0.00 0.40 0.08 0.00 -1.36 0.00 0.00 55.97 55.09 1x5g s LYS 62 Cb 0.00 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.50 1x5g s LYS 62 CO 0.00 -0.70 0.10 -1.83 -0.76 0.00 0.00 175.35 172.16 1x5g s GLU 63 N 2.49 2.53 0.34 1.68 1.03 -1.26 -4.63 118.70 120.88 1x5g s GLU 63 Ca 0.11 -1.33 0.01 0.00 0.03 0.00 0.00 54.97 53.80 1x5g s GLU 63 Cb -0.15 -2.30 0.01 0.00 -0.80 0.00 0.00 34.13 30.88 1x5g s GLU 63 CO -0.17 0.31 0.09 1.04 -1.33 0.00 0.00 175.26 175.19 1x5g n GLN 64 N -1.06 1.11 -4.10 -4.83 1.13 -1.11 -4.94 117.38 103.59 1x5g n GLN 64 Ca -0.06 -2.38 -0.18 0.00 -1.94 0.00 0.00 57.00 52.44 1x5g n GLN 64 Cb 0.59 0.52 -0.16 0.00 0.11 0.00 0.00 30.24 31.30 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1x5g s ASP 65 N -2.93 0.73 -0.18 1.08 1.47 -1.26 -3.44 116.67 112.14 1x5g s ASP 65 Ca 0.07 -0.09 0.01 0.00 1.18 0.00 0.00 52.55 53.71 1x5g s ASP 65 Cb -0.01 -0.34 0.03 0.00 -0.34 0.00 0.00 42.92 42.27 1x5g s ASP 65 CO 0.04 -0.05 -0.12 0.68 0.68 0.00 0.00 175.17 176.40 1x5g s VAL 66 N 0.81 1.61 -0.13 2.11 -7.23 -1.13 -5.00 120.40 111.43 1x5g s VAL 66 Ca -0.10 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 1x5g s VAL 66 Cb -0.13 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1x5g s VAL 66 CO -0.00 0.29 1.55 1.51 -0.31 0.00 0.00 175.10 178.13 1x5g s ASP 67 N 1.44 6.66 0.07 4.85 -4.77 -1.26 -3.31 116.67 120.34 1x5g s ASP 67 Ca 0.01 1.94 0.09 0.00 -3.30 0.00 0.00 52.55 51.30 1x5g s ASP 67 Cb -0.15 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.12 1x5g s ASP 67 CO -0.09 -0.97 -0.25 -0.69 0.70 0.00 0.00 175.17 173.87 1x5g s VAL 68 N 4.22 2.03 -0.25 2.11 1.01 -1.14 -5.04 120.40 123.33 1x5g s VAL 68 Ca 0.68 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1x5g s VAL 68 Cb -0.28 -1.77 -0.17 0.00 0.00 0.00 0.00 36.38 34.16 1x5g s VAL 68 CO 0.26 0.21 -0.20 -1.54 0.00 0.00 0.00 175.10 173.82 1x5g n SER 69 N 1.48 1.85 -4.89 3.32 3.41 -1.26 -3.56 113.62 113.97 1x5g n SER 69 Ca -0.18 -0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.02 1x5g n SER 69 Cb 0.53 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1x5g n SER 69 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5g s SER 70 N -6.41 5.90 0.26 4.04 0.01 -1.26 -4.92 113.70 111.32 1x5g s SER 70 Ca -0.33 1.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.98 1x5g s SER 70 Cb 0.09 -2.12 0.31 0.00 0.21 0.00 0.00 66.02 64.51 1x5g s SER 70 CO 0.61 -0.96 1.79 0.45 0.41 0.00 0.00 173.24 175.54 1x5g h HIS 71 N -0.25 0.95 -3.10 2.43 3.86 -1.94 -3.43 115.15 113.67 1x5g h HIS 71 Ca -0.45 -0.10 -0.62 0.00 -1.16 0.00 0.00 60.37 58.03 1x5g h HIS 71 Cb 1.22 -0.27 -0.11 0.00 1.06 0.00 0.00 27.41 29.31 1x5g h HIS 71 CO 0.56 0.79 -0.65 0.45 0.86 0.00 0.00 177.93 179.94 1x5g s SER 72 N -6.55 4.95 0.06 2.45 0.15 -1.26 -3.59 113.70 109.91 1x5g s SER 72 Ca -0.10 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1x5g s SER 72 Cb 0.15 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.35 1x5g s SER 72 CO 0.82 0.13 0.34 -0.47 1.20 0.00 0.00 173.24 175.25 1x5g s TYR 73 N -1.52 -0.13 -0.16 3.44 6.14 -0.91 -4.96 117.35 119.24 1x5g s TYR 73 Ca 0.27 -0.04 0.01 0.00 0.64 0.00 0.00 57.07 57.95 1x5g s TYR 73 Cb -0.11 0.14 0.01 0.00 0.42 0.00 0.00 41.96 42.43 1x5g s TYR 73 CO 0.19 -0.56 -0.19 0.99 0.64 0.00 0.00 175.55 176.61 1x5g s THR 74 N -2.90 2.21 -0.48 4.34 2.01 -1.26 -1.66 115.64 117.89 1x5g s THR 74 Ca -0.03 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 1x5g s THR 74 Cb 0.00 -1.92 0.09 0.00 0.01 0.00 0.00 72.50 70.68 1x5g s THR 74 CO -0.06 0.53 0.41 -0.63 -0.69 0.00 0.00 174.62 174.19 1x5g s ILE 75 N 1.07 5.15 0.55 1.82 1.01 -0.75 -4.90 121.20 125.15 1x5g s ILE 75 Ca -0.01 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.49 1x5g s ILE 75 Cb -0.14 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.25 1x5g s ILE 75 CO -0.07 -0.64 0.77 0.54 0.00 0.00 0.00 174.94 175.54 1x5g s ASN 76 N 2.78 5.18 0.00 3.58 2.20 -1.26 -1.66 114.94 125.76 1x5g s ASN 76 Ca 0.04 -0.26 0.00 0.00 -0.94 0.00 0.00 52.86 51.70 1x5g s ASN 76 Cb -0.25 -0.54 0.00 0.00 -2.00 0.00 0.00 41.25 38.45 1x5g s ASN 76 CO 0.05 -1.21 0.00 0.61 -2.94 0.00 0.00 177.10 173.62 1x5g n GLY 77 N -2.31 0.46 3.61 0.45 0.00 -0.52 -4.93 105.19 101.95 1x5g n GLY 77 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.81 2.20 0.59 0.99 1.43 -0.22 -5.04 118.68 116.82 1x5g s LEU 78 Ca 0.00 -1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 51.41 1x5g s LEU 78 Cb 0.00 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1x5g s LEU 78 CO 0.00 -0.82 0.95 -0.54 0.23 0.00 0.00 176.35 176.17 1x5g s LYS 79 N -3.79 3.36 0.06 1.70 1.02 -1.26 -4.67 119.74 116.16 1x5g s LYS 79 Ca 0.19 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.40 1x5g s LYS 79 Cb 0.04 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1x5g s LYS 79 CO 0.11 -0.56 0.63 0.15 -0.92 0.00 0.00 175.35 174.76 1x5g s LYS 80 N -5.05 4.33 -1.43 1.68 1.02 -1.24 -4.09 119.74 114.96 1x5g s LYS 80 Ca 0.53 0.84 -0.06 0.00 0.02 0.00 0.00 55.97 57.30 1x5g s LYS 80 Cb -0.11 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1x5g s LYS 80 CO 0.50 0.50 0.73 0.98 -0.92 0.00 0.00 175.35 177.14 1x5g n TYR 81 N 2.16 -1.97 -4.61 3.18 9.36 -0.86 -4.97 117.16 119.46 1x5g n TYR 81 Ca -0.08 0.84 -0.24 0.00 3.32 0.00 0.00 57.90 61.75 1x5g n TYR 81 Cb 0.50 -4.03 -0.14 0.00 -0.63 0.00 0.00 39.34 35.04 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 -3.59 1.40 0.49 2.97 2.01 -1.26 -4.81 115.64 112.86 1x5g s THR 82 Ca 0.26 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1x5g s THR 82 Cb -0.13 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.08 1x5g s THR 82 CO 0.84 0.20 1.00 -0.70 -0.69 0.00 0.00 174.62 175.28 1x5g s GLU 83 N -0.92 3.91 -0.19 4.92 2.12 -1.26 -1.89 118.70 125.39 1x5g s GLU 83 Ca 0.06 1.20 -0.12 0.00 0.36 0.00 0.00 54.97 56.47 1x5g s GLU 83 Cb -0.08 -2.12 0.06 0.00 0.26 0.00 0.00 34.13 32.25 1x5g s GLU 83 CO 0.01 -0.32 0.46 0.71 -0.54 0.00 0.00 175.26 175.58 1x5g s TYR 84 N -2.20 -0.65 0.50 5.30 2.02 0.08 -3.04 117.35 119.36 1x5g s TYR 84 Ca 0.64 1.40 -0.06 0.00 -0.37 0.00 0.00 57.07 58.67 1x5g s TYR 84 Cb -0.13 0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.69 1x5g s TYR 84 CO 0.21 -0.35 0.82 0.45 -1.57 0.00 0.00 175.55 175.11 1x5g s SER 85 N 1.19 6.27 -0.18 2.29 0.15 0.95 -1.24 113.70 123.12 1x5g s SER 85 Ca -0.08 1.01 -0.17 0.00 0.70 0.00 0.00 55.95 57.41 1x5g s SER 85 Cb -0.07 -2.28 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1x5g s SER 85 CO -0.11 -0.61 0.49 -0.36 1.20 0.00 0.00 173.24 173.85 1x5g s PHE 86 N -2.78 -0.54 -0.12 3.44 0.08 -1.14 -2.78 117.98 114.14 1x5g s PHE 86 Ca 0.49 1.32 -0.07 0.00 0.12 0.00 0.00 56.93 58.78 1x5g s PHE 86 Cb -0.10 0.19 0.05 0.00 -0.57 0.00 0.00 43.02 42.58 1x5g s PHE 86 CO 0.45 -0.26 0.30 -0.98 -0.10 0.00 0.00 175.22 174.63 1x5g s ARG 87 N 0.28 0.28 -0.22 0.44 1.70 -1.18 -0.42 118.95 119.82 1x5g s ARG 87 Ca -0.00 0.57 -0.11 0.00 -0.47 0.00 0.00 55.73 55.72 1x5g s ARG 87 Cb -0.03 -0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.26 1x5g s ARG 87 CO 0.00 -0.14 0.17 0.08 -1.08 0.00 0.00 175.30 174.34 1x5g s VAL 88 N 1.07 5.36 -0.10 4.99 1.01 -1.26 -1.56 120.40 129.91 1x5g s VAL 88 Ca -0.07 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1x5g s VAL 88 Cb -0.08 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1x5g s VAL 88 CO -0.08 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.48 1x5g s VAL 89 N 0.87 1.92 -0.12 2.92 1.01 0.74 -3.02 120.40 124.72 1x5g s VAL 89 Ca 0.09 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 1x5g s VAL 89 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1x5g s VAL 89 CO 0.03 0.53 0.70 0.00 0.00 0.00 0.00 175.10 176.36 1x5g s ALA 90 N 0.40 3.43 -0.35 5.51 0.00 -1.26 -0.65 121.76 128.84 1x5g s ALA 90 Ca -0.18 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1x5g s ALA 90 Cb -0.18 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.01 1x5g s ALA 90 CO 0.08 -0.31 0.10 0.71 0.00 0.00 0.00 175.76 176.34 1x5g s TYR 91 N 1.31 3.36 0.32 0.00 1.51 -0.97 -0.97 117.35 121.91 1x5g s TYR 91 Ca 0.35 -1.90 0.06 0.00 -1.01 0.00 0.00 57.07 54.58 1x5g s TYR 91 Cb -0.17 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 1x5g s TYR 91 CO 0.15 -0.84 0.45 -0.80 -1.11 0.00 0.00 175.55 173.40 1x5g s ASN 92 N 1.50 5.95 0.56 2.29 -0.87 -0.71 -2.74 114.94 120.92 1x5g s ASN 92 Ca -0.00 -0.18 0.50 0.00 -1.57 0.00 0.00 52.86 51.60 1x5g s ASN 92 Cb -0.21 -1.27 1.72 0.00 -0.02 0.00 0.00 41.25 41.47 1x5g s ASN 92 CO -0.01 -0.39 1.57 0.07 -2.57 0.00 0.00 177.10 175.78 1x5g h LYS 93 N 0.95 0.00 0.04 -0.60 -0.00 -1.96 0.62 116.57 115.62 1x5g h LYS 93 Ca -0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1x5g h LYS 93 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1x5g h LYS 93 CO 0.54 0.00 -0.02 0.45 -0.00 0.00 0.00 179.45 180.42 1x5g h HIS 94 N 0.00 -0.05 0.00 0.07 3.86 -1.92 -3.50 115.15 113.60 1x5g h HIS 94 Ca 0.93 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.13 1x5g h HIS 94 Cb 3.74 0.02 0.00 0.00 1.06 0.00 0.00 27.41 32.23 1x5g h HIS 94 CO 0.00 0.61 0.00 0.41 0.86 0.00 0.00 177.93 179.81 1x5g n GLY 95 N 1.01 -1.05 3.69 2.45 0.00 0.22 -5.11 105.19 106.39 1x5g n GLY 95 Ca -0.08 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.92 4.27 0.00 1.61 0.04 -1.26 -1.74 135.00 135.99 1x5g s PRO 96 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1x5g s PRO 96 Cb 0.00 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1x5g s PRO 96 CO 0.00 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1x5g n GLY 97 N 3.70 1.16 3.06 0.56 0.00 -0.15 -4.94 105.19 108.58 1x5g n GLY 97 Ca 0.14 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.32 0.00 -4.03 1.61 0.24 -1.22 -4.72 118.33 109.90 1x5g n VAL 98 Ca 0.00 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1x5g n VAL 98 Cb 0.00 -0.10 -0.16 0.00 -1.47 0.00 0.00 33.84 32.11 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 -1.15 2.83 0.85 -1.34 0.15 -1.26 -4.31 113.70 109.47 1x5g s SER 99 Ca 0.41 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 1x5g s SER 99 Cb -0.05 -1.22 0.07 0.00 -1.71 0.00 0.00 66.02 63.10 1x5g s SER 99 CO 0.73 -0.06 0.90 0.35 1.20 0.00 0.00 173.24 176.36 1x5g n THR 100 N 4.74 1.15 -2.20 6.45 -2.24 -1.17 -4.92 114.28 116.10 1x5g n THR 100 Ca -0.17 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1x5g n THR 100 Cb 0.50 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.88 4.34 0.37 -0.78 0.04 -1.26 -4.70 135.00 129.13 1x5g s PRO 101 Ca 0.67 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.53 1x5g s PRO 101 Cb -0.27 -3.25 -0.16 0.00 0.04 0.00 0.00 34.50 30.86 1x5g s PRO 101 CO 0.57 -0.40 0.17 -0.25 0.04 0.00 0.00 177.00 177.13 1x5g n ASP 102 N 3.83 -2.56 -3.60 6.66 9.92 -1.26 -4.81 116.55 124.74 1x5g n ASP 102 Ca 0.11 0.86 -0.27 0.00 -0.53 0.00 0.00 54.79 54.96 1x5g n ASP 102 Cb 0.43 -0.90 -0.11 0.00 -0.64 0.00 0.00 41.12 39.90 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1x5g n VAL 103 N -0.86 0.17 -2.36 2.53 0.31 0.44 -4.87 118.33 113.69 1x5g n VAL 103 Ca 0.12 -4.14 -0.41 0.00 -0.01 0.00 0.00 64.34 59.90 1x5g n VAL 103 Cb 0.38 -1.91 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.76 3.44 -0.05 3.52 0.00 -1.26 -2.87 121.76 123.78 1x5g s ALA 104 Ca 0.30 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 1x5g s ALA 104 Cb 0.02 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1x5g s ALA 104 CO -0.17 -0.33 0.35 0.54 0.00 0.00 0.00 175.76 176.15 1x5g s VAL 105 N -0.85 0.04 -0.15 0.00 0.11 -0.37 -4.90 120.40 114.27 1x5g s VAL 105 Ca 0.48 -0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 1x5g s VAL 105 Cb -0.34 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1x5g s VAL 105 CO 0.43 -0.17 0.33 -0.60 -3.33 0.00 0.00 175.10 171.76 1x5g s ARG 106 N -0.87 4.27 1.12 1.54 3.52 -1.26 -0.74 118.95 126.52 1x5g s ARG 106 Ca -0.09 0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 1x5g s ARG 106 Cb -0.04 -3.42 0.25 0.00 -1.56 0.00 0.00 34.95 30.18 1x5g s ARG 106 CO 0.04 0.23 1.15 0.95 -0.81 0.00 0.00 175.30 176.85 1x5g s THR 107 N 0.48 1.74 0.49 4.11 -4.23 -0.79 -4.76 115.64 112.67 1x5g s THR 107 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1x5g s THR 107 Cb -0.13 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 1x5g s THR 107 CO 0.05 0.00 0.88 -0.76 -0.54 0.00 0.00 174.62 174.25 1x5g s LEU 108 N -6.64 3.62 -0.02 4.79 1.43 -1.26 -4.08 118.68 116.53 1x5g s LEU 108 Ca 0.70 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1x5g s LEU 108 Cb -0.10 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 1x5g s LEU 108 CO 0.55 -0.57 0.02 -0.55 0.23 0.00 0.00 176.35 176.03 1x5g s SER 109 N -3.50 5.30 -0.27 2.29 0.15 -1.26 -2.03 113.70 114.38 1x5g s SER 109 Ca 0.53 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 1x5g s SER 109 Cb -0.10 -1.45 -0.14 0.00 -1.71 0.00 0.00 66.02 62.62 1x5g s SER 109 CO 0.38 0.30 -0.27 -0.67 1.20 0.00 0.00 173.24 174.18 1x5g n ASP 110 N 1.50 1.96 0.04 5.45 2.03 -1.26 -4.91 116.55 121.36 1x5g n ASP 110 Ca -0.15 0.21 -0.00 0.00 0.52 0.00 0.00 54.79 55.37 1x5g n ASP 110 Cb 0.53 -0.72 -0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1x5g n ASP 110 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x5g n SER 111 N -3.96 0.84 -1.28 1.67 7.64 -1.26 -5.14 113.62 112.13 1x5g n SER 111 Ca -0.51 0.11 0.17 0.00 1.01 0.00 0.00 58.87 59.65 1x5g n SER 111 Cb 0.91 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 112 N 3.37 -2.08 0.00 0.23 0.00 -1.26 -3.81 105.19 101.63 1x5g n GLY 112 Ca -0.00 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.94 0.49 -0.96 1.61 -0.04 -1.26 -4.87 135.00 126.03 1x5g n PRO 113 Ca -0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1x5g n PRO 113 Cb 0.59 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 1x5g n PRO 113 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5g n SER 114 N -0.91 -5.14 -0.09 3.54 3.41 -1.25 -4.95 113.62 108.23 1x5g n SER 114 Ca 0.09 0.20 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1x5g n SER 114 Cb 0.04 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1x5g n SER 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5g n SER 115 N 2.55 2.38 0.00 4.04 3.41 -1.26 -5.16 113.62 119.57 1x5g n SER 115 Ca -0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1x5g n SER 115 Cb 0.57 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49