#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 0.10 0.28 1.61 0.15 -1.26 -5.19 113.70 109.39 1x5g s SER 2 Ca 0.00 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.59 1x5g s SER 2 Cb 0.00 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1x5g s SER 2 CO 0.00 -1.13 0.19 -0.94 1.20 0.00 0.00 173.24 172.56 1x5g s SER 3 N -3.07 1.09 0.02 5.45 1.04 -1.26 -5.17 113.70 111.79 1x5g s SER 3 Ca 0.26 -1.57 0.03 0.00 0.48 0.00 0.00 55.95 55.15 1x5g s SER 3 Cb 0.00 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1x5g s SER 3 CO 0.11 -0.93 -0.08 -0.83 0.98 0.00 0.00 173.24 172.49 1x5g s GLY 4 N -3.30 0.45 -0.17 7.32 0.00 -1.26 -5.06 107.32 105.31 1x5g s GLY 4 Ca 0.39 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 44.38 1x5g s GLY 4 CO 0.19 -0.50 0.41 1.48 0.00 0.00 0.00 173.10 174.69 1x5g h SER 5 N 5.38 0.09 -5.77 1.64 4.64 -2.06 -3.49 113.55 113.99 1x5g h SER 5 Ca -0.32 -0.70 -0.37 0.00 -0.47 0.00 0.00 61.79 59.92 1x5g h SER 5 Cb 1.19 -0.03 0.15 0.00 -0.31 0.00 0.00 62.40 63.40 1x5g h SER 5 CO 0.46 1.42 -0.73 -1.20 -0.87 0.00 0.00 176.83 175.91 1x5g n SER 6 N -4.34 -4.26 -1.44 4.97 7.64 -1.26 -4.73 113.62 110.21 1x5g n SER 6 Ca -0.26 -0.59 0.19 0.00 1.01 0.00 0.00 58.87 59.23 1x5g n SER 6 Cb 0.69 -5.04 -0.06 0.00 -1.01 0.00 0.00 64.21 58.79 1x5g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 7 N -1.59 -2.23 3.62 0.23 0.00 -1.26 -5.04 105.19 98.93 1x5g n GLY 7 Ca -0.13 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1x5g n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x5g s ARG 8 N -2.76 1.30 1.22 1.61 1.70 -1.26 -5.17 118.95 115.59 1x5g s ARG 8 Ca 0.00 -0.61 -0.18 0.00 -0.47 0.00 0.00 55.73 54.47 1x5g s ARG 8 Cb 0.00 0.51 0.25 0.00 -0.57 0.00 0.00 34.95 35.14 1x5g s ARG 8 CO 0.00 -0.58 0.58 1.33 -1.08 0.00 0.00 175.30 175.55 1x5g n VAL 9 N -0.39 0.00 -3.66 4.99 0.24 -1.26 -5.03 118.33 113.22 1x5g n VAL 9 Ca -0.09 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.69 1x5g n VAL 9 Cb 0.62 -0.80 -0.17 0.00 -1.47 0.00 0.00 33.84 32.02 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 -4.14 0.31 -0.09 7.34 2.02 -1.26 -5.12 118.70 117.76 1x5g s GLU 10 Ca 0.59 -0.21 -0.00 0.00 0.02 0.00 0.00 54.97 55.37 1x5g s GLU 10 Cb -0.15 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1x5g s GLU 10 CO 0.58 -0.65 -0.06 0.99 0.02 0.00 0.00 175.26 176.14 1x5g s THR 11 N 2.02 0.87 0.28 3.63 2.01 -1.26 -5.13 115.64 118.06 1x5g s THR 11 Ca 0.01 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1x5g s THR 11 Cb -0.16 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 1x5g s THR 11 CO -0.08 0.33 1.20 -1.10 -0.69 0.00 0.00 174.62 174.28 1x5g s GLN 12 N 1.60 4.50 0.03 4.92 -1.52 -1.26 -5.04 119.66 122.90 1x5g s GLN 12 Ca 0.02 1.98 -0.01 0.00 -1.95 0.00 0.00 55.36 55.40 1x5g s GLN 12 Cb -0.13 -3.15 0.01 0.00 -0.22 0.00 0.00 33.01 29.51 1x5g s GLN 12 CO -0.06 -0.01 0.03 -0.35 -0.25 0.00 0.00 175.29 174.66 1x5g n PRO 13 N 1.35 -1.07 -0.82 2.91 -0.04 -1.26 -5.03 135.00 131.04 1x5g n PRO 13 Ca 0.01 -0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 1x5g n PRO 13 Cb 0.43 -0.04 0.24 0.00 -0.04 0.00 0.00 33.50 34.09 1x5g n PRO 13 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x5g s GLU 14 N -3.07 -1.06 -0.18 0.54 8.01 -1.26 -5.00 118.70 116.68 1x5g s GLU 14 Ca 0.02 0.37 0.17 0.00 0.01 0.00 0.00 54.97 55.53 1x5g s GLU 14 Cb -0.00 -1.58 -0.23 0.00 -4.31 0.00 0.00 34.13 28.01 1x5g s GLU 14 CO 0.01 -3.70 0.07 1.33 0.01 0.00 0.00 175.26 172.99 1x5g n VAL 15 N -4.83 1.26 -1.57 2.63 0.24 -1.26 -4.64 118.33 110.17 1x5g n VAL 15 Ca 0.08 -0.79 -0.41 0.00 -2.04 0.00 0.00 64.34 61.18 1x5g n VAL 15 Cb 0.58 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.69 3.34 -4.44 7.34 6.02 -1.26 -4.90 117.38 120.79 1x5g n GLN 16 Ca -0.30 -2.48 -0.24 0.00 -0.01 0.00 0.00 57.00 53.96 1x5g n GLN 16 Cb 1.10 -3.03 -0.10 0.00 1.02 0.00 0.00 30.24 29.24 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x5g s LEU 17 N 1.01 2.74 1.03 1.08 2.01 -1.26 -4.74 118.68 120.55 1x5g s LEU 17 Ca 0.58 -1.00 -0.13 0.00 0.01 0.00 0.00 54.13 53.59 1x5g s LEU 17 Cb 0.16 -1.20 0.21 0.00 0.01 0.00 0.00 46.19 45.37 1x5g s LEU 17 CO -0.07 -0.03 1.09 -2.16 1.01 0.00 0.00 176.35 176.19 1x5g s PRO 18 N -3.57 0.16 0.56 1.29 0.04 -1.26 -4.51 135.00 127.71 1x5g s PRO 18 Ca 0.31 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.80 1x5g s PRO 18 Cb -0.04 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.83 1x5g s PRO 18 CO 0.16 -2.89 0.78 0.20 0.04 0.00 0.00 177.00 175.29 1x5g s GLY 19 N -3.48 1.83 -0.01 0.56 0.00 -1.25 -3.81 107.32 101.16 1x5g s GLY 19 Ca 0.66 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1x5g s GLY 19 CO 0.58 -1.08 1.45 2.56 0.00 0.00 0.00 173.10 176.60 1x5g s PRO 20 N -4.77 4.26 -0.35 2.90 0.04 -1.26 -4.68 135.00 131.14 1x5g s PRO 20 Ca 0.58 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 63.29 1x5g s PRO 20 Cb -0.10 -3.63 -0.11 0.00 0.04 0.00 0.00 34.50 30.70 1x5g s PRO 20 CO 0.39 -0.63 2.19 0.00 0.04 0.00 0.00 177.00 178.98 1x5g n ALA 21 N 5.65 1.07 -1.05 8.56 0.00 -1.26 -4.69 120.51 128.78 1x5g n ALA 21 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1x5g n ALA 21 Cb 0.43 -2.54 0.21 0.00 0.00 0.00 0.00 19.45 17.55 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 8.17 -2.79 -4.36 0.00 -0.04 -1.23 -4.10 135.00 130.66 1x5g n PRO 22 Ca 0.41 -1.45 -0.34 0.00 -0.04 0.00 0.00 63.50 62.08 1x5g n PRO 22 Cb 0.23 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 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 -4.55 0.10 -4.53 3.54 5.03 -1.26 -1.21 115.26 112.38 1x5g n ASN 23 Ca 0.13 -1.26 -0.43 0.00 0.87 0.00 0.00 54.58 53.90 1x5g n ASN 23 Cb 0.49 -1.68 -0.04 0.00 -1.02 0.00 0.00 39.78 37.53 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 -7.33 3.86 0.42 3.41 2.96 -1.26 -3.72 118.68 117.01 1x5g s LEU 24 Ca 0.23 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1x5g s LEU 24 Cb -0.13 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1x5g s LEU 24 CO 1.00 -1.37 0.19 -0.13 -1.32 0.00 0.00 176.35 174.72 1x5g s ARG 25 N 4.40 2.23 -0.29 1.98 1.81 0.89 -5.01 118.95 124.97 1x5g s ARG 25 Ca 0.34 -1.84 -0.15 0.00 -1.72 0.00 0.00 55.73 52.35 1x5g s ARG 25 Cb -0.11 -1.99 0.12 0.00 -0.45 0.00 0.00 34.95 32.52 1x5g s ARG 25 CO 0.20 -0.13 0.83 0.00 -0.68 0.00 0.00 175.30 175.52 1x5g s ALA 26 N -2.60 -2.17 -0.03 2.13 0.00 -1.26 -2.54 121.76 115.30 1x5g s ALA 26 Ca 0.41 2.28 -0.06 0.00 0.00 0.00 0.00 51.96 54.59 1x5g s ALA 26 Cb 0.04 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1x5g s ALA 26 CO 0.23 -0.54 0.14 1.52 0.00 0.00 0.00 175.76 177.11 1x5g s TYR 27 N 1.85 -0.05 -0.56 0.00 1.13 -0.03 -5.01 117.35 114.69 1x5g s TYR 27 Ca -0.08 0.12 -0.25 0.00 -1.41 0.00 0.00 57.07 55.45 1x5g s TYR 27 Cb -0.06 -0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1x5g s TYR 27 CO -0.18 -0.19 0.97 0.00 -2.51 0.00 0.00 175.55 173.65 1x5g s ALA 28 N -0.69 3.14 0.09 9.51 0.00 -1.26 -0.30 121.76 132.25 1x5g s ALA 28 Ca -0.08 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1x5g s ALA 28 Cb -0.05 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 1x5g s ALA 28 CO 0.01 -2.43 1.42 0.00 0.00 0.00 0.00 175.76 174.75 1x5g h ALA 29 N 9.35 0.39 -2.22 0.00 0.00 -1.89 -3.45 119.26 121.43 1x5g h ALA 29 Ca -0.26 -0.37 -0.34 0.00 0.00 0.00 0.00 54.91 53.93 1x5g h ALA 29 Cb 1.07 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1x5g h ALA 29 CO 1.10 0.36 -0.70 -1.12 0.00 0.00 0.00 179.25 178.89 1x5g s SER 30 N -6.43 1.79 0.00 0.00 0.01 -1.24 -5.02 113.70 102.81 1x5g s SER 30 Ca -0.13 -1.08 0.15 0.00 1.31 0.00 0.00 55.95 56.21 1x5g s SER 30 Cb 0.08 -0.00 0.91 0.00 0.21 0.00 0.00 66.02 67.22 1x5g s SER 30 CO 0.81 -0.39 1.32 -0.81 0.41 0.00 0.00 173.24 174.58 1x5g n PRO 31 N -0.26 0.49 0.00 12.44 -0.04 -1.26 -2.14 135.00 144.23 1x5g n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1x5g n PRO 31 Cb 0.62 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.99 0.14 -4.18 0.52 -2.24 -1.26 -3.96 114.28 102.31 1x5g n THR 32 Ca 0.11 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1x5g n THR 32 Cb 0.05 1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.14 0.94 -0.19 3.42 1.04 -0.91 -0.01 113.70 117.84 1x5g s SER 33 Ca 0.00 -1.52 -0.14 0.00 0.48 0.00 0.00 55.95 54.78 1x5g s SER 33 Cb 0.00 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.73 1x5g s SER 33 CO 0.00 -1.10 0.49 -0.63 0.98 0.00 0.00 173.24 172.98 1x5g s ILE 34 N -3.53 -0.01 -0.20 -1.02 1.01 0.20 -3.65 121.20 114.01 1x5g s ILE 34 Ca 0.35 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 1x5g s ILE 34 Cb 0.02 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1x5g s ILE 34 CO 0.20 0.02 0.05 -0.89 0.00 0.00 0.00 174.94 174.31 1x5g s THR 35 N 0.94 4.45 -0.12 2.92 2.01 0.59 -0.89 115.64 125.54 1x5g s THR 35 Ca -0.05 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1x5g s THR 35 Cb -0.06 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1x5g s THR 35 CO -0.08 0.42 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.39 1x5g s VAL 36 N 0.83 1.83 -0.06 3.82 1.01 -0.94 -0.85 120.40 126.04 1x5g s VAL 36 Ca 0.03 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1x5g s VAL 36 Cb -0.14 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1x5g s VAL 36 CO 0.02 0.51 -0.24 0.42 0.00 0.00 0.00 175.10 175.81 1x5g s THR 37 N 0.80 1.98 0.20 3.92 -4.23 -1.05 -2.46 115.64 114.79 1x5g s THR 37 Ca -0.09 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1x5g s THR 37 Cb -0.16 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1x5g s THR 37 CO 0.00 0.55 0.09 -1.66 -0.54 0.00 0.00 174.62 173.06 1x5g s TRP 38 N -0.10 1.22 0.34 3.99 -2.14 -1.20 -0.07 118.94 120.97 1x5g s TRP 38 Ca -0.05 -1.25 0.09 0.00 2.66 0.00 0.00 56.10 57.55 1x5g s TRP 38 Cb -0.14 -0.66 -0.05 0.00 -3.10 0.00 0.00 33.47 29.52 1x5g s TRP 38 CO 0.04 -0.47 0.03 -1.21 -2.66 0.00 0.00 176.95 172.68 1x5g s GLU 39 N -4.07 2.14 0.05 3.25 0.41 -0.35 -4.79 118.70 115.34 1x5g s GLU 39 Ca 0.34 -1.70 -0.22 0.00 -0.41 0.00 0.00 54.97 52.98 1x5g s GLU 39 Cb 0.07 -1.98 -0.06 0.00 -1.78 0.00 0.00 34.13 30.38 1x5g s GLU 39 CO 0.09 0.14 0.65 0.99 -0.49 0.00 0.00 175.26 176.64 1x5g s THR 40 N -2.50 4.74 -0.28 3.63 2.01 -1.26 -3.48 115.64 118.50 1x5g s THR 40 Ca 0.35 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 1x5g s THR 40 Cb -0.01 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1x5g s THR 40 CO 0.20 0.47 1.65 -2.16 -0.69 0.00 0.00 174.62 174.09 1x5g s PRO 41 N -0.59 3.62 0.57 4.92 0.04 -1.26 -4.66 135.00 137.64 1x5g s PRO 41 Ca 0.33 1.50 0.30 0.00 0.04 0.00 0.00 61.00 63.16 1x5g s PRO 41 Cb -0.20 -4.09 1.45 0.00 0.04 0.00 0.00 34.50 31.70 1x5g s PRO 41 CO 0.20 -1.51 1.86 -0.39 0.04 0.00 0.00 177.00 177.19 1x5g h VAL 42 N 6.41 0.40 -2.24 -0.36 -1.51 -1.95 -3.41 116.25 113.59 1x5g h VAL 42 Ca -0.33 0.00 -0.44 0.00 -1.23 0.00 0.00 66.70 64.70 1x5g h VAL 42 Cb 1.15 0.55 0.03 0.00 -2.13 0.00 0.00 31.29 30.89 1x5g h VAL 42 CO 1.02 0.00 -0.16 -0.44 -1.23 0.00 0.00 177.57 176.76 1x5g s SER 43 N -5.23 5.66 0.00 4.19 0.01 -1.26 -5.07 113.70 111.99 1x5g s SER 43 Ca -0.04 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1x5g s SER 43 Cb 0.17 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1x5g s SER 43 CO 0.62 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x5g n GLY 44 N -2.02 4.43 3.41 3.44 0.00 -1.26 -3.89 105.19 109.30 1x5g n GLY 44 Ca 0.04 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 6.19 0.00 1.61 -0.87 -1.26 -4.90 114.94 115.71 1x5g s ASN 45 Ca 0.00 -1.22 0.00 0.00 -1.57 0.00 0.00 52.86 50.07 1x5g s ASN 45 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1x5g s ASN 45 CO 0.00 -1.19 0.00 0.61 -2.57 0.00 0.00 177.10 173.95 1x5g n GLY 46 N 5.28 2.51 3.74 0.66 0.00 -1.26 -4.78 105.19 111.34 1x5g n GLY 46 Ca -0.07 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.23 4.51 0.33 1.61 2.02 -1.26 -4.93 118.70 117.76 1x5g s GLU 47 Ca 0.00 1.88 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 1x5g s GLU 47 Cb 0.00 -3.22 -0.11 0.00 0.10 0.00 0.00 34.13 30.90 1x5g s GLU 47 CO 0.00 -0.04 1.40 0.42 0.02 0.00 0.00 175.26 177.06 1x5g s ILE 48 N -0.30 2.45 -0.12 -1.63 -1.09 -1.26 -4.07 121.20 115.17 1x5g s ILE 48 Ca 0.51 0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 59.32 1x5g s ILE 48 Cb -0.33 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1x5g s ILE 48 CO 0.38 0.10 -0.11 1.56 -1.23 0.00 0.00 174.94 175.64 1x5g h GLN 49 N 3.57 0.00 -3.61 2.79 1.08 -0.53 -3.48 115.11 114.92 1x5g h GLN 49 Ca -0.49 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 1x5g h GLN 49 Cb 1.23 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.53 1x5g h GLN 49 CO 0.67 0.00 -0.20 1.21 -0.95 0.00 0.00 178.83 179.56 1x5g s ASN 50 N -5.54 -0.07 -0.23 1.46 2.47 -0.97 -5.05 114.94 107.01 1x5g s ASN 50 Ca -0.09 -0.55 -0.08 0.00 0.42 0.00 0.00 52.86 52.57 1x5g s ASN 50 Cb 0.01 0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 40.21 1x5g s ASN 50 CO 0.13 -0.85 0.08 -0.31 -3.72 0.00 0.00 177.10 172.43 1x5g s TYR 51 N -3.86 3.14 -0.40 0.43 2.02 -1.23 -2.48 117.35 114.96 1x5g s TYR 51 Ca 0.07 -0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 1x5g s TYR 51 Cb 0.03 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 1x5g s TYR 51 CO -0.08 -0.19 0.42 0.21 -1.57 0.00 0.00 175.55 174.34 1x5g s LYS 52 N 1.25 3.23 -0.25 -0.62 2.47 -0.75 -2.66 119.74 122.41 1x5g s LYS 52 Ca 0.05 -0.66 -0.09 0.00 -1.56 0.00 0.00 55.97 53.70 1x5g s LYS 52 Cb -0.14 -3.92 -0.04 0.00 -1.46 0.00 0.00 37.83 32.26 1x5g s LYS 52 CO 0.04 -0.76 0.13 -1.17 0.16 0.00 0.00 175.35 173.75 1x5g s LEU 53 N 2.10 3.81 0.17 5.43 2.96 -1.01 -1.37 118.68 130.77 1x5g s LEU 53 Ca 0.12 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1x5g s LEU 53 Cb -0.17 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1x5g s LEU 53 CO 0.13 -0.00 0.26 -0.31 -1.32 0.00 0.00 176.35 175.11 1x5g s TYR 54 N 1.44 3.40 -0.27 5.38 1.51 -0.32 -1.48 117.35 127.01 1x5g s TYR 54 Ca 0.06 0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 55.97 1x5g s TYR 54 Cb -0.15 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.16 1x5g s TYR 54 CO 0.06 0.51 0.70 1.52 -1.11 0.00 0.00 175.55 177.23 1x5g s TYR 55 N -1.79 -0.89 0.16 2.71 1.13 -1.21 -3.02 117.35 114.43 1x5g s TYR 55 Ca 0.34 1.99 -0.19 0.00 -1.41 0.00 0.00 57.07 57.79 1x5g s TYR 55 Cb -0.10 0.41 0.05 0.00 -1.10 0.00 0.00 41.96 41.22 1x5g s TYR 55 CO 0.27 -0.44 0.52 0.00 -2.51 0.00 0.00 175.55 173.40 1x5g s MET 56 N 0.89 1.24 -0.03 -3.49 0.23 -0.82 -2.72 119.30 114.60 1x5g s MET 56 Ca -0.04 -0.64 -0.20 0.00 -1.03 0.00 0.00 55.69 53.78 1x5g s MET 56 Cb -0.05 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1x5g s MET 56 CO -0.08 -0.52 0.56 -2.00 -2.03 0.00 0.00 175.02 170.95 1x5g s GLU 57 N -3.80 4.29 -0.71 3.16 2.12 -1.26 0.20 118.70 122.70 1x5g s GLU 57 Ca 0.03 0.65 -0.25 0.00 0.36 0.00 0.00 54.97 55.77 1x5g s GLU 57 Cb -0.00 -3.36 -0.14 0.00 0.26 0.00 0.00 34.13 30.89 1x5g s GLU 57 CO -0.10 0.34 2.42 1.17 -0.54 0.00 0.00 175.26 178.54 1x5g n LYS 58 N 2.89 0.65 0.00 4.30 3.00 -1.15 -2.14 118.16 125.71 1x5g n LYS 58 Ca -0.07 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 57.86 1x5g n LYS 58 Cb 0.51 -3.18 0.00 0.00 0.00 0.00 0.00 35.03 32.36 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 6.36 1.00 0.00 3.14 0.00 -1.26 -4.97 105.19 109.46 1x5g n GLY 59 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.04 2.61 -1.04 -0.91 -5.02 114.28 107.88 1x5g n THR 60 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1x5g n THR 60 Cb 0.00 -0.28 -0.04 0.00 -1.82 0.00 0.00 70.33 68.18 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 -5.72 -3.41 8.00 9.92 -1.26 -4.94 116.55 117.80 1x5g n ASP 61 Ca 0.00 0.22 -0.15 0.00 -0.53 0.00 0.00 54.79 54.32 1x5g n ASP 61 Cb 0.21 -4.86 -0.10 0.00 -0.64 0.00 0.00 41.12 35.73 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 -4.47 0.29 0.18 -1.24 2.47 -1.26 -5.15 119.74 110.56 1x5g s LYS 62 Ca 0.00 0.13 -0.04 0.00 -1.56 0.00 0.00 55.97 54.50 1x5g s LYS 62 Cb 0.00 -0.76 -0.05 0.00 -1.46 0.00 0.00 37.83 35.56 1x5g s LYS 62 CO 0.00 -0.83 0.41 -2.00 0.16 0.00 0.00 175.35 173.09 1x5g s GLU 63 N 2.40 3.60 0.51 4.03 2.12 -1.26 -4.72 118.70 125.38 1x5g s GLU 63 Ca 0.09 -0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1x5g s GLU 63 Cb -0.15 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1x5g s GLU 63 CO -0.23 0.41 0.25 -0.65 -0.54 0.00 0.00 175.26 174.50 1x5g s GLN 64 N -2.94 2.24 -0.04 4.30 -0.21 -1.10 -4.97 119.66 116.93 1x5g s GLN 64 Ca 0.41 -2.08 -0.02 0.00 0.02 0.00 0.00 55.36 53.69 1x5g s GLN 64 Cb -0.12 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 32.00 1x5g s GLN 64 CO 0.26 -0.44 0.09 0.16 -2.12 0.00 0.00 175.29 173.24 1x5g s ASP 65 N -4.09 -0.04 -0.02 5.90 -4.77 -1.26 -3.29 116.67 109.09 1x5g s ASP 65 Ca 0.28 0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.73 1x5g s ASP 65 Cb 0.00 0.09 -0.01 0.00 -1.09 0.00 0.00 42.92 41.91 1x5g s ASP 65 CO 0.16 -0.11 -0.13 0.68 0.70 0.00 0.00 175.17 176.47 1x5g s VAL 66 N 0.85 1.09 -0.32 2.11 -7.23 -0.55 -4.99 120.40 111.35 1x5g s VAL 66 Ca -0.07 -0.56 -0.27 0.00 -1.81 0.00 0.00 61.98 59.27 1x5g s VAL 66 Cb -0.09 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1x5g s VAL 66 CO -0.03 0.32 1.00 1.51 -0.31 0.00 0.00 175.10 177.58 1x5g s ASP 67 N -0.10 6.84 -0.14 4.85 1.47 -1.26 -2.40 116.67 125.94 1x5g s ASP 67 Ca 0.01 0.91 0.02 0.00 1.18 0.00 0.00 52.55 54.67 1x5g s ASP 67 Cb -0.08 -2.50 0.01 0.00 -0.34 0.00 0.00 42.92 40.00 1x5g s ASP 67 CO 0.00 -0.82 -0.21 -0.69 0.68 0.00 0.00 175.17 174.13 1x5g s VAL 68 N 3.48 2.19 0.02 2.11 1.01 -1.09 -5.01 120.40 123.12 1x5g s VAL 68 Ca 0.42 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1x5g s VAL 68 Cb -0.13 -1.88 -0.32 0.00 0.00 0.00 0.00 36.38 34.06 1x5g s VAL 68 CO 0.15 0.54 0.94 0.77 0.00 0.00 0.00 175.10 177.51 1x5g h SER 69 N 7.22 0.62 -3.98 3.32 4.64 -1.96 -3.27 113.55 120.15 1x5g h SER 69 Ca -0.30 -0.73 -0.47 0.00 -0.47 0.00 0.00 61.79 59.82 1x5g h SER 69 Cb 1.20 -0.20 0.08 0.00 -0.31 0.00 0.00 62.40 63.17 1x5g h SER 69 CO 0.55 1.59 0.27 -0.94 -0.87 0.00 0.00 176.83 177.43 1x5g s SER 70 N -7.31 4.94 0.32 4.97 1.04 -1.26 -4.91 113.70 111.49 1x5g s SER 70 Ca -0.09 0.63 0.17 0.00 0.48 0.00 0.00 55.95 57.14 1x5g s SER 70 Cb 0.06 -1.32 0.36 0.00 0.10 0.00 0.00 66.02 65.22 1x5g s SER 70 CO 0.90 -1.54 1.58 0.45 0.98 0.00 0.00 173.24 175.60 1x5g h HIS 71 N -0.62 0.00 -3.98 5.02 3.86 -1.90 -3.44 115.15 114.08 1x5g h HIS 71 Ca -0.45 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.13 1x5g h HIS 71 Cb 1.30 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.46 1x5g h HIS 71 CO 0.37 0.45 -0.86 -1.54 0.86 0.00 0.00 177.93 177.21 1x5g s SER 72 N -6.44 2.67 0.15 2.45 1.04 -1.26 -3.26 113.70 109.04 1x5g s SER 72 Ca 0.02 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.08 1x5g s SER 72 Cb 0.09 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 1x5g s SER 72 CO 0.72 0.21 -0.15 -0.47 0.98 0.00 0.00 173.24 174.52 1x5g s TYR 73 N -0.09 1.57 -0.30 5.02 5.04 -1.03 -5.00 117.35 122.55 1x5g s TYR 73 Ca -0.03 -0.54 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 1x5g s TYR 73 Cb -0.13 -0.79 0.07 0.00 0.35 0.00 0.00 41.96 41.46 1x5g s TYR 73 CO 0.03 0.23 -0.02 0.99 -1.34 0.00 0.00 175.55 175.43 1x5g s THR 74 N -2.25 2.41 -0.24 4.34 2.01 -1.26 -2.22 115.64 118.43 1x5g s THR 74 Ca 0.13 -1.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.08 1x5g s THR 74 Cb -0.04 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1x5g s THR 74 CO 0.04 -0.26 0.64 -0.63 -0.69 0.00 0.00 174.62 173.73 1x5g s ILE 75 N 1.07 4.98 0.41 1.82 1.01 -0.07 -4.89 121.20 125.54 1x5g s ILE 75 Ca -0.01 1.18 0.07 0.00 0.00 0.00 0.00 60.65 61.89 1x5g s ILE 75 Cb -0.20 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1x5g s ILE 75 CO -0.05 0.04 0.17 0.20 0.00 0.00 0.00 174.94 175.30 1x5g s ASN 76 N 1.38 4.39 0.00 3.58 0.01 -1.26 0.62 114.94 123.66 1x5g s ASN 76 Ca 0.27 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.33 1x5g s ASN 76 Cb -0.16 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.03 1x5g s ASN 76 CO 0.09 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 175.76 1x5g n GLY 77 N -1.22 0.61 3.55 0.66 0.00 0.98 -4.92 105.19 104.85 1x5g n GLY 77 Ca -0.01 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.46 2.78 0.82 0.99 1.43 -0.09 -5.03 118.68 118.13 1x5g s LEU 78 Ca 0.00 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 1x5g s LEU 78 Cb 0.00 -1.14 0.08 0.00 0.03 0.00 0.00 46.19 45.16 1x5g s LEU 78 CO 0.00 -0.15 1.10 -0.54 0.23 0.00 0.00 176.35 176.99 1x5g s LYS 79 N -3.62 1.93 -0.08 1.70 -0.14 -1.26 -4.47 119.74 113.81 1x5g s LYS 79 Ca 0.32 0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 55.43 1x5g s LYS 79 Cb -0.00 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 1x5g s LYS 79 CO 0.17 -1.72 0.34 0.15 -0.76 0.00 0.00 175.35 173.53 1x5g s LYS 80 N -5.14 4.00 -1.11 1.68 1.02 -1.25 -4.28 119.74 114.65 1x5g s LYS 80 Ca 0.61 0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1x5g s LYS 80 Cb -0.15 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1x5g s LYS 80 CO 0.54 0.51 0.94 0.98 -0.92 0.00 0.00 175.35 177.40 1x5g n TYR 81 N 2.59 -2.18 -4.33 3.18 9.36 -1.16 -4.92 117.16 119.71 1x5g n TYR 81 Ca -0.13 0.85 -0.18 0.00 3.32 0.00 0.00 57.90 61.75 1x5g n TYR 81 Cb 0.52 -4.63 -0.14 0.00 -0.63 0.00 0.00 39.34 34.47 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 -3.30 0.77 0.43 2.97 2.01 -1.26 -4.90 115.64 112.36 1x5g s THR 82 Ca 0.22 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1x5g s THR 82 Cb -0.10 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.66 1x5g s THR 82 CO 0.64 0.09 0.83 -0.70 -0.69 0.00 0.00 174.62 174.79 1x5g s GLU 83 N -0.56 3.85 -0.17 4.92 2.12 -1.26 -1.93 118.70 125.67 1x5g s GLU 83 Ca 0.02 0.64 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 1x5g s GLU 83 Cb -0.05 -2.32 0.06 0.00 0.26 0.00 0.00 34.13 32.09 1x5g s GLU 83 CO 0.00 -0.09 0.41 0.71 -0.54 0.00 0.00 175.26 175.75 1x5g s TYR 84 N -2.41 -0.62 0.20 5.30 2.02 -0.07 -2.91 117.35 118.85 1x5g s TYR 84 Ca 0.54 1.31 -0.25 0.00 -0.37 0.00 0.00 57.07 58.30 1x5g s TYR 84 Cb -0.10 0.27 -0.08 0.00 -0.40 0.00 0.00 41.96 41.64 1x5g s TYR 84 CO 0.30 -0.36 0.80 0.45 -1.57 0.00 0.00 175.55 175.17 1x5g s SER 85 N 1.52 7.37 -0.01 2.29 0.15 0.13 -1.33 113.70 123.81 1x5g s SER 85 Ca -0.09 1.66 0.02 0.00 0.70 0.00 0.00 55.95 58.24 1x5g s SER 85 Cb -0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x5g s SER 85 CO -0.13 0.16 -0.06 -0.36 1.20 0.00 0.00 173.24 174.05 1x5g s PHE 86 N -1.25 0.60 -0.11 3.44 0.08 -0.98 -1.94 117.98 117.83 1x5g s PHE 86 Ca 0.38 -0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.22 1x5g s PHE 86 Cb -0.22 -0.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1x5g s PHE 86 CO 0.26 -0.04 0.29 -0.98 -0.10 0.00 0.00 175.22 174.64 1x5g s ARG 87 N 0.07 0.33 -0.01 0.44 1.70 -1.17 -0.29 118.95 120.03 1x5g s ARG 87 Ca -0.01 0.41 0.01 0.00 -0.47 0.00 0.00 55.73 55.67 1x5g s ARG 87 Cb -0.05 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1x5g s ARG 87 CO -0.00 -0.05 0.01 0.08 -1.08 0.00 0.00 175.30 174.27 1x5g s VAL 88 N 0.21 4.25 -0.03 4.99 1.01 -1.26 -1.17 120.40 128.40 1x5g s VAL 88 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1x5g s VAL 88 Cb -0.02 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1x5g s VAL 88 CO -0.00 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 1x5g s VAL 89 N -1.09 0.58 -0.11 2.92 1.01 -0.47 -2.75 120.40 120.49 1x5g s VAL 89 Ca 0.20 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1x5g s VAL 89 Cb -0.12 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1x5g s VAL 89 CO 0.10 0.21 0.70 0.00 0.00 0.00 0.00 175.10 176.11 1x5g s ALA 90 N 0.59 3.41 -0.26 5.51 0.00 -1.26 -1.80 121.76 127.95 1x5g s ALA 90 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1x5g s ALA 90 Cb -0.11 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.07 1x5g s ALA 90 CO 0.00 -0.28 -0.09 0.71 0.00 0.00 0.00 175.76 176.10 1x5g s TYR 91 N 1.23 3.22 0.53 0.00 1.51 -1.04 -2.16 117.35 120.65 1x5g s TYR 91 Ca 0.35 -2.16 0.04 0.00 -1.01 0.00 0.00 57.07 54.29 1x5g s TYR 91 Cb -0.17 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1x5g s TYR 91 CO 0.15 -0.85 0.27 0.54 -1.11 0.00 0.00 175.55 174.55 1x5g s ASN 92 N 1.15 4.47 0.37 2.29 2.20 -1.21 0.22 114.94 124.43 1x5g s ASN 92 Ca -0.07 -1.38 0.15 0.00 -0.94 0.00 0.00 52.86 50.63 1x5g s ASN 92 Cb -0.19 0.44 1.03 0.00 -2.00 0.00 0.00 41.25 40.52 1x5g s ASN 92 CO -0.05 -1.01 1.75 0.07 -2.94 0.00 0.00 177.10 174.91 1x5g h LYS 93 N 0.96 0.44 0.00 3.55 5.09 -1.89 -2.69 116.57 122.03 1x5g h LYS 93 Ca -0.39 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.32 1x5g h LYS 93 Cb 1.31 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1x5g h LYS 93 CO 0.63 0.29 0.00 0.72 -2.09 0.00 0.00 179.45 179.00 1x5g n HIS 94 N -4.74 0.00 -3.22 0.07 8.25 -1.26 -5.05 115.22 109.26 1x5g n HIS 94 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1x5g n HIS 94 Cb 0.85 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1x5g n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5g n GLY 95 N -0.26 -1.24 3.67 -1.41 0.00 -1.02 -5.12 105.19 99.82 1x5g n GLY 95 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.45 4.22 0.00 1.61 0.04 -1.26 -3.30 135.00 135.87 1x5g s PRO 96 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x5g s PRO 96 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1x5g s PRO 96 CO 0.00 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1x5g n GLY 97 N 3.86 0.58 3.35 0.56 0.00 -0.92 -4.91 105.19 107.71 1x5g n GLY 97 Ca 0.15 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.00 -4.00 1.61 0.24 -1.25 -4.84 118.33 110.08 1x5g n VAL 98 Ca 0.00 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1x5g n VAL 98 Cb 0.00 -0.93 -0.16 0.00 -1.47 0.00 0.00 33.84 31.27 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 -2.51 2.88 0.92 -1.34 0.15 -1.26 -4.41 113.70 108.13 1x5g s SER 99 Ca 0.66 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 56.57 1x5g s SER 99 Cb -0.20 -1.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1x5g s SER 99 CO 0.62 -0.09 0.38 0.35 1.20 0.00 0.00 173.24 175.70 1x5g n THR 100 N 4.76 0.30 -2.21 6.45 -2.24 -1.11 -4.89 114.28 115.34 1x5g n THR 100 Ca -0.16 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1x5g n THR 100 Cb 0.49 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.44 4.34 0.17 -0.78 0.04 -1.26 -4.72 135.00 129.34 1x5g s PRO 101 Ca 0.58 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.34 1x5g s PRO 101 Cb -0.23 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.89 1x5g s PRO 101 CO 0.66 -0.39 0.78 -0.40 0.04 0.00 0.00 177.00 177.69 1x5g n ASP 102 N 3.73 -0.36 -3.82 6.66 5.68 -1.26 -4.81 116.55 122.37 1x5g n ASP 102 Ca 0.10 1.14 -0.28 0.00 -0.50 0.00 0.00 54.79 55.26 1x5g n ASP 102 Cb 0.43 -1.02 -0.12 0.00 -1.14 0.00 0.00 41.12 39.27 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x5g s VAL 103 N -0.69 2.47 0.10 2.12 1.01 0.60 -4.88 120.40 121.13 1x5g s VAL 103 Ca 0.70 -4.00 -0.31 0.00 0.00 0.00 0.00 61.98 58.37 1x5g s VAL 103 Cb -0.96 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1x5g s VAL 103 CO 0.56 -1.04 1.23 0.00 0.00 0.00 0.00 175.10 175.86 1x5g s ALA 104 N -1.20 3.44 0.02 5.51 0.00 -1.26 -2.32 121.76 125.95 1x5g s ALA 104 Ca 0.26 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1x5g s ALA 104 Cb -0.03 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1x5g s ALA 104 CO -0.17 -0.46 -0.04 0.54 0.00 0.00 0.00 175.76 175.63 1x5g s VAL 105 N 0.85 0.28 -0.22 0.00 0.11 -0.44 -4.89 120.40 116.09 1x5g s VAL 105 Ca 0.59 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1x5g s VAL 105 Cb -0.31 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1x5g s VAL 105 CO 0.31 -0.24 0.21 -0.60 -3.33 0.00 0.00 175.10 171.45 1x5g s ARG 106 N -0.92 4.13 0.79 1.54 3.52 -1.26 -0.89 118.95 125.86 1x5g s ARG 106 Ca -0.07 -0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 1x5g s ARG 106 Cb -0.06 -3.50 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1x5g s ARG 106 CO -0.00 0.11 1.09 0.95 -0.81 0.00 0.00 175.30 176.64 1x5g s THR 107 N 0.89 3.21 0.45 4.11 -4.23 -0.81 -4.74 115.64 114.52 1x5g s THR 107 Ca 0.11 0.39 -0.24 0.00 -1.18 0.00 0.00 61.69 60.77 1x5g s THR 107 Cb -0.13 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 1x5g s THR 107 CO 0.04 -0.52 1.19 -0.76 -0.54 0.00 0.00 174.62 174.03 1x5g s LEU 108 N -5.77 4.05 -0.20 4.79 1.43 -1.26 -3.59 118.68 118.13 1x5g s LEU 108 Ca 0.60 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.97 1x5g s LEU 108 Cb -0.15 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 1x5g s LEU 108 CO 0.55 -0.90 0.13 -0.55 0.23 0.00 0.00 176.35 175.80 1x5g s SER 109 N -1.25 6.18 0.02 2.29 0.15 -1.26 -2.99 113.70 116.85 1x5g s SER 109 Ca 0.62 0.22 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 1x5g s SER 109 Cb -0.30 -2.08 -0.16 0.00 -1.71 0.00 0.00 66.02 61.76 1x5g s SER 109 CO 0.37 0.18 1.33 -2.24 1.20 0.00 0.00 173.24 174.08 1x5g h ASP 110 N 6.69 0.25 -3.45 5.45 2.03 -1.92 -3.38 116.42 122.09 1x5g h ASP 110 Ca -0.41 -0.47 -0.76 0.00 -0.73 0.00 0.00 57.03 54.66 1x5g h ASP 110 Cb 1.15 -0.07 -0.24 0.00 -0.83 0.00 0.00 39.33 39.34 1x5g h ASP 110 CO 0.75 0.67 0.20 -0.55 -1.03 0.00 0.00 179.24 179.29 1x5g s SER 111 N -5.96 6.65 -0.42 4.15 0.15 -1.26 -4.92 113.70 112.09 1x5g s SER 111 Ca -0.15 -2.42 0.06 0.00 0.70 0.00 0.00 55.95 54.15 1x5g s SER 111 Cb 0.04 -2.25 0.17 0.00 -1.71 0.00 0.00 66.02 62.28 1x5g s SER 111 CO 0.73 -0.72 0.55 -0.83 1.20 0.00 0.00 173.24 174.17 1x5g s GLY 112 N 2.64 -0.71 0.00 9.45 0.00 -1.26 -4.98 107.32 112.45 1x5g s GLY 112 Ca 0.19 -0.45 0.11 0.00 0.00 0.00 0.00 44.72 44.56 1x5g s GLY 112 CO -0.07 3.27 1.09 -1.55 0.00 0.00 0.00 173.10 175.84 1x5g n PRO 113 N 3.99 0.49 -0.92 2.90 -0.04 -1.26 -4.86 135.00 135.30 1x5g n PRO 113 Ca 0.14 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1x5g n PRO 113 Cb 0.52 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1x5g n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5g n SER 114 N -0.85 0.57 -4.05 3.54 2.88 -1.26 -4.89 113.62 109.55 1x5g n SER 114 Ca 0.08 0.52 -0.31 0.00 -1.33 0.00 0.00 58.87 57.83 1x5g n SER 114 Cb 0.04 -0.62 -0.16 0.00 -0.75 0.00 0.00 64.21 62.71 1x5g n SER 114 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5g s SER 115 N 3.85 2.83 0.00 -3.46 0.15 -1.26 -5.29 113.70 110.51 1x5g s SER 115 Ca 0.81 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1x5g s SER 115 Cb -1.04 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1x5g s SER 115 CO 0.47 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.49