#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 -1.13 0.41 1.61 1.04 -1.26 -5.02 113.70 109.35 1x5g s SER 2 Ca 0.00 0.69 0.24 0.00 0.48 0.00 0.00 55.95 57.36 1x5g s SER 2 Cb 0.00 1.94 1.29 0.00 0.10 0.00 0.00 66.02 69.35 1x5g s SER 2 CO 0.00 -0.21 1.66 0.77 0.98 0.00 0.00 173.24 176.44 1x5g h SER 3 N 7.99 0.34 0.00 7.02 4.64 -2.13 -3.44 113.55 127.97 1x5g h SER 3 Ca -0.20 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1x5g h SER 3 Cb 1.16 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1x5g h SER 3 CO 0.16 -0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1x5g n GLY 4 N -1.46 1.68 4.38 -0.77 0.00 -1.26 -4.76 105.19 103.00 1x5g n GLY 4 Ca 0.34 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1x5g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5g n SER 5 N -0.97 -0.22 -4.81 1.61 7.64 -1.26 -4.91 113.62 110.70 1x5g n SER 5 Ca 0.00 -1.25 -0.34 0.00 1.01 0.00 0.00 58.87 58.30 1x5g n SER 5 Cb 0.00 -1.70 -0.07 0.00 -1.01 0.00 0.00 64.21 61.44 1x5g n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5g s SER 6 N -3.95 5.87 -0.28 6.43 1.04 -1.26 -5.03 113.70 116.53 1x5g s SER 6 Ca 0.32 0.22 0.22 0.00 0.48 0.00 0.00 55.95 57.19 1x5g s SER 6 Cb -0.19 -1.75 0.50 0.00 0.10 0.00 0.00 66.02 64.68 1x5g s SER 6 CO 1.00 0.29 1.10 0.61 0.98 0.00 0.00 173.24 177.22 1x5g n GLY 7 N 1.28 1.74 3.22 7.32 0.00 -1.26 -5.10 105.19 112.39 1x5g n GLY 7 Ca -0.14 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.49 0.96 -0.33 1.61 1.81 -1.26 -5.11 118.95 113.14 1x5g s ARG 8 Ca 0.26 -1.09 -0.27 0.00 -1.72 0.00 0.00 55.73 52.92 1x5g s ARG 8 Cb 0.35 -1.02 0.01 0.00 -0.45 0.00 0.00 34.95 33.84 1x5g s ARG 8 CO -0.03 0.22 0.97 0.14 -0.68 0.00 0.00 175.30 175.92 1x5g s VAL 9 N -1.44 4.59 -0.18 3.52 -7.23 -1.26 -5.00 120.40 113.40 1x5g s VAL 9 Ca 0.03 1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 61.62 1x5g s VAL 9 Cb -0.09 -4.33 0.08 0.00 0.56 0.00 0.00 36.38 32.60 1x5g s VAL 9 CO 0.03 -0.45 0.20 -0.70 -0.31 0.00 0.00 175.10 173.87 1x5g s GLU 10 N 3.45 0.15 -0.23 4.82 -6.30 -1.26 -5.14 118.70 114.19 1x5g s GLU 10 Ca 0.40 0.25 -0.21 0.00 -2.50 0.00 0.00 54.97 52.92 1x5g s GLU 10 Cb -0.12 -1.08 0.06 0.00 0.00 0.00 0.00 34.13 32.98 1x5g s GLU 10 CO 0.16 -0.59 0.62 -0.08 0.02 0.00 0.00 175.26 175.39 1x5g s THR 11 N 2.30 -0.00 0.23 -1.70 -1.32 -1.26 -5.15 115.64 108.75 1x5g s THR 11 Ca 0.05 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.24 1x5g s THR 11 Cb -0.15 -0.86 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 1x5g s THR 11 CO -0.11 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.44 1x5g s GLN 12 N 0.44 4.58 0.00 7.08 -2.07 -1.26 -4.90 119.66 123.53 1x5g s GLN 12 Ca -0.01 1.82 0.09 0.00 -1.82 0.00 0.00 55.36 55.44 1x5g s GLN 12 Cb -0.04 -3.22 0.53 0.00 -1.09 0.00 0.00 33.01 29.19 1x5g s GLN 12 CO -0.01 0.08 0.98 -0.35 -1.32 0.00 0.00 175.29 174.67 1x5g n PRO 13 N 1.80 0.49 -3.15 9.60 -0.04 -1.26 -4.69 135.00 137.74 1x5g n PRO 13 Ca 0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 1x5g n PRO 13 Cb 0.45 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1x5g n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x5g s GLU 14 N -2.00 4.22 -0.51 0.54 2.12 -1.26 -4.97 118.70 116.84 1x5g s GLU 14 Ca 0.13 0.57 0.04 0.00 0.36 0.00 0.00 54.97 56.08 1x5g s GLU 14 Cb 0.06 -3.56 0.40 0.00 0.26 0.00 0.00 34.13 31.29 1x5g s GLU 14 CO 0.10 -0.19 1.23 0.28 -0.54 0.00 0.00 175.26 176.14 1x5g n VAL 15 N 4.57 2.63 -1.47 3.70 0.31 -1.26 -4.82 118.33 121.99 1x5g n VAL 15 Ca -0.02 -4.92 -0.35 0.00 -0.01 0.00 0.00 64.34 59.04 1x5g n VAL 15 Cb 0.50 -1.28 0.06 0.00 -0.91 0.00 0.00 33.84 32.21 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g n GLN 16 N -0.47 2.64 -4.15 5.55 6.02 -1.26 -4.96 117.38 120.75 1x5g n GLN 16 Ca 0.40 -3.21 -0.24 0.00 -0.01 0.00 0.00 57.00 53.95 1x5g n GLN 16 Cb 0.58 -2.23 -0.06 0.00 1.02 0.00 0.00 30.24 29.55 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 -3.71 3.63 0.68 1.08 2.01 -1.26 -4.76 118.68 116.35 1x5g s LEU 17 Ca 0.59 -0.30 -0.14 0.00 0.01 0.00 0.00 54.13 54.29 1x5g s LEU 17 Cb 0.47 -2.20 0.01 0.00 0.01 0.00 0.00 46.19 44.47 1x5g s LEU 17 CO -0.13 0.02 1.11 -2.16 1.01 0.00 0.00 176.35 176.20 1x5g s PRO 18 N -3.44 2.68 0.79 1.29 0.04 -1.26 -4.26 135.00 130.84 1x5g s PRO 18 Ca 0.31 1.34 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1x5g s PRO 18 Cb -0.09 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1x5g s PRO 18 CO 0.23 -1.33 1.12 0.20 0.04 0.00 0.00 177.00 177.25 1x5g s GLY 19 N -2.76 1.70 0.40 0.56 0.00 -1.23 -3.49 107.32 102.50 1x5g s GLY 19 Ca 0.66 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 1x5g s GLY 19 CO 0.45 -0.49 1.19 2.56 0.00 0.00 0.00 173.10 176.80 1x5g s PRO 20 N -5.46 4.04 -0.21 2.90 0.04 -1.26 -4.80 135.00 130.24 1x5g s PRO 20 Ca 0.65 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 1x5g s PRO 20 Cb -0.09 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1x5g s PRO 20 CO 0.48 -0.34 1.54 0.00 0.04 0.00 0.00 177.00 178.71 1x5g s ALA 21 N -1.39 3.36 1.16 8.56 0.00 -1.26 -4.54 121.76 127.65 1x5g s ALA 21 Ca 0.57 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1x5g s ALA 21 Cb -0.32 -3.81 0.19 0.00 0.00 0.00 0.00 23.12 19.19 1x5g s ALA 21 CO 0.40 -1.79 0.69 -0.35 0.00 0.00 0.00 175.76 174.71 1x5g n PRO 22 N 7.45 -2.35 -4.25 0.00 -0.04 -1.22 -4.17 135.00 130.41 1x5g n PRO 22 Ca 0.17 -1.10 -0.30 0.00 -0.04 0.00 0.00 63.50 62.23 1x5g n PRO 22 Cb 0.45 -1.03 -0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 -4.18 0.80 -4.49 3.54 5.03 -1.26 -1.47 115.26 113.23 1x5g n ASN 23 Ca 0.10 -1.24 -0.42 0.00 0.87 0.00 0.00 54.58 53.88 1x5g n ASN 23 Cb 0.37 -1.54 -0.04 0.00 -1.02 0.00 0.00 39.78 37.56 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 -7.25 4.03 0.31 3.41 2.96 -1.26 -3.63 118.68 117.25 1x5g s LEU 24 Ca 0.01 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1x5g s LEU 24 Cb -0.01 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1x5g s LEU 24 CO 0.97 -1.50 0.15 -0.13 -1.32 0.00 0.00 176.35 174.52 1x5g s ARG 25 N 4.45 2.51 -0.27 1.98 1.81 0.11 -5.00 118.95 124.54 1x5g s ARG 25 Ca 0.27 -1.40 -0.15 0.00 -1.72 0.00 0.00 55.73 52.73 1x5g s ARG 25 Cb -0.14 -2.29 0.08 0.00 -0.45 0.00 0.00 34.95 32.15 1x5g s ARG 25 CO 0.13 0.20 0.65 0.00 -0.68 0.00 0.00 175.30 175.60 1x5g s ALA 26 N -2.34 -1.77 -0.11 2.13 0.00 -1.26 -2.15 121.76 116.26 1x5g s ALA 26 Ca 0.36 2.30 -0.13 0.00 0.00 0.00 0.00 51.96 54.49 1x5g s ALA 26 Cb -0.05 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1x5g s ALA 26 CO 0.23 -0.39 0.36 1.52 0.00 0.00 0.00 175.76 177.49 1x5g s TYR 27 N 1.66 -0.36 -0.42 0.00 1.13 -0.42 -5.02 117.35 113.92 1x5g s TYR 27 Ca -0.10 0.83 -0.26 0.00 -1.41 0.00 0.00 57.07 56.13 1x5g s TYR 27 Cb -0.06 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.96 1x5g s TYR 27 CO -0.19 -0.24 0.97 0.00 -2.51 0.00 0.00 175.55 173.58 1x5g s ALA 28 N -0.15 3.31 -0.03 9.51 0.00 -1.26 -0.70 121.76 132.44 1x5g s ALA 28 Ca -0.03 -0.56 0.11 0.00 0.00 0.00 0.00 51.96 51.49 1x5g s ALA 28 Cb -0.03 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 1x5g s ALA 28 CO 0.01 -1.87 1.35 0.00 0.00 0.00 0.00 175.76 175.25 1x5g h ALA 29 N 8.80 0.53 -2.46 0.00 0.00 -1.89 -3.45 119.26 120.79 1x5g h ALA 29 Ca -0.23 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 53.87 1x5g h ALA 29 Cb 1.07 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.60 1x5g h ALA 29 CO 1.02 0.92 -0.61 -1.12 0.00 0.00 0.00 179.25 179.47 1x5g s SER 30 N -6.55 0.34 0.00 0.00 0.01 -1.18 -5.01 113.70 101.30 1x5g s SER 30 Ca 0.02 -0.78 0.15 0.00 1.31 0.00 0.00 55.95 56.66 1x5g s SER 30 Cb 0.09 0.21 0.89 0.00 0.21 0.00 0.00 66.02 67.42 1x5g s SER 30 CO 0.78 -0.55 1.36 -0.81 0.41 0.00 0.00 173.24 174.43 1x5g n PRO 31 N 0.47 0.43 0.00 12.44 -0.04 -1.26 -2.31 135.00 144.73 1x5g n PRO 31 Ca -0.17 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1x5g n PRO 31 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.06 0.00 -4.25 0.52 -2.24 -1.26 -3.64 114.28 102.34 1x5g n THR 32 Ca 0.11 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1x5g n THR 32 Cb 0.07 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 1x5g n THR 32 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5g s SER 33 N -0.35 0.71 -0.07 3.42 0.01 -0.98 -0.09 113.70 116.35 1x5g s SER 33 Ca 0.00 -1.47 -0.09 0.00 1.31 0.00 0.00 55.95 55.69 1x5g s SER 33 Cb 0.00 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.64 1x5g s SER 33 CO 0.00 -0.87 0.24 -0.63 0.41 0.00 0.00 173.24 172.39 1x5g s ILE 34 N -3.92 0.02 -0.18 1.44 1.01 0.39 -3.12 121.20 116.84 1x5g s ILE 34 Ca 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1x5g s ILE 34 Cb 0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1x5g s ILE 34 CO 0.16 -0.09 -0.06 -0.89 0.00 0.00 0.00 174.94 174.06 1x5g s THR 35 N -0.26 3.51 -0.07 2.92 2.01 0.12 -0.80 115.64 123.08 1x5g s THR 35 Ca -0.04 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1x5g s THR 35 Cb -0.03 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1x5g s THR 35 CO 0.01 0.47 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.47 1x5g s VAL 36 N 0.81 2.05 -0.01 3.82 1.01 -0.57 -1.30 120.40 126.21 1x5g s VAL 36 Ca -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1x5g s VAL 36 Cb -0.15 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1x5g s VAL 36 CO 0.02 0.57 -0.12 0.42 0.00 0.00 0.00 175.10 175.98 1x5g s THR 37 N -0.07 0.97 0.34 3.92 -4.23 -0.91 -1.92 115.64 113.75 1x5g s THR 37 Ca -0.07 -0.52 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1x5g s THR 37 Cb -0.15 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1x5g s THR 37 CO 0.05 0.28 0.33 -1.66 -0.54 0.00 0.00 174.62 173.08 1x5g s TRP 38 N -0.25 1.62 0.28 3.99 -2.14 -0.84 0.04 118.94 121.63 1x5g s TRP 38 Ca 0.04 -1.59 0.06 0.00 2.66 0.00 0.00 56.10 57.27 1x5g s TRP 38 Cb -0.05 -0.57 -0.06 0.00 -3.10 0.00 0.00 33.47 29.69 1x5g s TRP 38 CO -0.00 -0.95 -0.05 -1.21 -2.66 0.00 0.00 176.95 172.08 1x5g s GLU 39 N -3.30 1.55 0.03 3.25 0.41 -0.54 -4.78 118.70 115.32 1x5g s GLU 39 Ca 0.38 -1.79 -0.24 0.00 -0.41 0.00 0.00 54.97 52.91 1x5g s GLU 39 Cb 0.01 -1.12 -0.05 0.00 -1.78 0.00 0.00 34.13 31.20 1x5g s GLU 39 CO 0.27 0.02 0.74 0.99 -0.49 0.00 0.00 175.26 176.78 1x5g s THR 40 N -3.05 4.79 -0.13 3.63 2.01 -1.26 -3.46 115.64 118.17 1x5g s THR 40 Ca 0.30 1.56 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 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 0.12 0.36 1.55 -2.16 -0.69 0.00 0.00 174.62 173.79 1x5g s PRO 41 N 0.03 4.08 0.16 4.92 0.04 -1.26 -4.70 135.00 138.28 1x5g s PRO 41 Ca 0.38 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1x5g s PRO 41 Cb -0.20 -3.95 0.04 0.00 0.04 0.00 0.00 34.50 30.44 1x5g s PRO 41 CO 0.22 -0.94 1.81 -0.39 0.04 0.00 0.00 177.00 177.73 1x5g h VAL 42 N 5.72 1.14 -3.28 -0.36 -1.51 -1.95 -3.41 116.25 112.59 1x5g h VAL 42 Ca -0.34 -0.29 -0.58 0.00 -1.23 0.00 0.00 66.70 64.25 1x5g h VAL 42 Cb 1.15 0.46 -0.09 0.00 -2.13 0.00 0.00 31.29 30.69 1x5g h VAL 42 CO 0.97 0.14 -0.22 -0.44 -1.23 0.00 0.00 177.57 176.79 1x5g s SER 43 N -5.68 6.59 0.00 4.19 0.01 -1.26 -5.02 113.70 112.54 1x5g s SER 43 Ca -0.13 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1x5g s SER 43 Cb 0.12 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1x5g s SER 43 CO 0.74 0.07 0.00 0.61 0.41 0.00 0.00 173.24 175.07 1x5g n GLY 44 N 3.19 1.56 2.80 3.44 0.00 -1.26 -3.54 105.19 111.37 1x5g n GLY 44 Ca -0.10 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1x5g n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5g s ASN 45 N 2.00 4.15 0.00 1.61 2.47 -1.26 -4.94 114.94 118.96 1x5g s ASN 45 Ca 0.00 -1.91 0.00 0.00 0.42 0.00 0.00 52.86 51.37 1x5g s ASN 45 Cb 0.00 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 1x5g s ASN 45 CO 0.00 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 173.60 1x5g n GLY 46 N 4.52 -1.36 3.87 1.21 0.00 -1.26 -4.70 105.19 107.46 1x5g n GLY 46 Ca 0.01 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1x5g n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5g s GLU 47 N 0.00 3.30 0.05 1.61 -1.05 -1.26 -5.08 118.70 116.27 1x5g s GLU 47 Ca 0.00 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.12 1x5g s GLU 47 Cb 0.00 -3.00 -0.05 0.00 -0.44 0.00 0.00 34.13 30.64 1x5g s GLU 47 CO 0.00 0.65 0.92 0.42 0.95 0.00 0.00 175.26 178.20 1x5g s ILE 48 N -1.33 4.70 -0.05 1.83 -1.09 -1.26 -4.68 121.20 119.32 1x5g s ILE 48 Ca 0.28 1.95 -0.03 0.00 -2.23 0.00 0.00 60.65 60.62 1x5g s ILE 48 Cb -0.12 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 1x5g s ILE 48 CO 0.19 0.27 -0.05 1.56 -1.23 0.00 0.00 174.94 175.68 1x5g h GLN 49 N 6.09 0.00 -4.58 2.79 4.20 -1.83 -3.50 115.11 118.28 1x5g h GLN 49 Ca -0.42 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.07 1x5g h GLN 49 Cb 1.21 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.84 1x5g h GLN 49 CO 0.73 0.00 -0.68 0.54 -0.67 0.00 0.00 178.83 178.75 1x5g s ASN 50 N -4.34 0.92 -0.18 1.46 4.22 -1.02 -5.05 114.94 110.95 1x5g s ASN 50 Ca -0.04 -1.08 -0.01 0.00 -2.14 0.00 0.00 52.86 49.59 1x5g s ASN 50 Cb 0.01 0.15 -0.00 0.00 1.28 0.00 0.00 41.25 42.68 1x5g s ASN 50 CO 0.06 -0.55 -0.12 -0.31 -2.04 0.00 0.00 177.10 174.14 1x5g s TYR 51 N -3.75 2.84 -0.00 1.54 2.02 -0.98 -2.10 117.35 116.93 1x5g s TYR 51 Ca 0.16 -1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 55.66 1x5g s TYR 51 Cb 0.06 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1x5g s TYR 51 CO -0.03 -0.54 0.33 0.21 -1.57 0.00 0.00 175.55 173.96 1x5g s LYS 52 N 1.08 3.74 -0.04 -0.62 2.47 -0.09 -2.33 119.74 123.95 1x5g s LYS 52 Ca 0.00 0.18 0.01 0.00 -1.56 0.00 0.00 55.97 54.60 1x5g s LYS 52 Cb -0.14 -3.14 0.02 0.00 -1.46 0.00 0.00 37.83 33.11 1x5g s LYS 52 CO -0.03 0.67 -0.05 -1.17 0.16 0.00 0.00 175.35 174.93 1x5g s LEU 53 N -1.38 1.41 0.31 5.43 2.96 -1.13 -0.93 118.68 125.34 1x5g s LEU 53 Ca 0.25 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1x5g s LEU 53 Cb -0.15 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 1x5g s LEU 53 CO 0.13 -0.04 0.10 -0.31 -1.32 0.00 0.00 176.35 174.91 1x5g s TYR 54 N 0.78 2.75 -0.28 5.38 1.51 -0.70 -1.33 117.35 125.45 1x5g s TYR 54 Ca -0.10 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.48 1x5g s TYR 54 Cb -0.13 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.34 1x5g s TYR 54 CO 0.00 0.45 0.71 1.52 -1.11 0.00 0.00 175.55 177.13 1x5g s TYR 55 N -2.36 -0.99 0.14 2.71 1.13 -1.23 -3.36 117.35 113.39 1x5g s TYR 55 Ca 0.35 2.04 -0.14 0.00 -1.41 0.00 0.00 57.07 57.91 1x5g s TYR 55 Cb -0.04 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1x5g s TYR 55 CO 0.22 -0.49 0.37 0.00 -2.51 0.00 0.00 175.55 173.15 1x5g s MET 56 N 1.37 1.12 -0.09 -3.49 0.23 -1.08 -2.86 119.30 114.51 1x5g s MET 56 Ca -0.08 -0.87 -0.19 0.00 -1.03 0.00 0.00 55.69 53.52 1x5g s MET 56 Cb -0.05 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1x5g s MET 56 CO -0.16 -0.43 0.53 -2.00 -2.03 0.00 0.00 175.02 170.93 1x5g s GLU 57 N -3.86 4.34 -0.64 3.16 2.12 -1.26 0.32 118.70 122.88 1x5g s GLU 57 Ca 0.07 0.56 -0.27 0.00 0.36 0.00 0.00 54.97 55.70 1x5g s GLU 57 Cb 0.02 -3.42 -0.12 0.00 0.26 0.00 0.00 34.13 30.87 1x5g s GLU 57 CO -0.07 0.18 2.48 1.17 -0.54 0.00 0.00 175.26 178.47 1x5g n LYS 58 N 3.53 0.74 0.00 4.30 3.00 -1.21 -1.90 118.16 126.62 1x5g n LYS 58 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1x5g n LYS 58 Cb 0.52 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.57 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 6.17 1.71 0.00 3.14 0.00 -1.26 -4.97 105.19 109.98 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 -0.06 0.00 -2.51 2.61 -1.04 -0.80 -5.02 114.28 107.45 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 -0.43 -0.00 0.00 -1.82 0.00 0.00 70.33 68.08 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 -1.58 -5.90 -3.31 8.00 8.00 -1.26 -4.96 116.55 115.54 1x5g n ASP 61 Ca 0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 54.79 55.43 1x5g n ASP 61 Cb 0.28 -4.87 -0.03 0.00 -0.02 0.00 0.00 41.12 36.47 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1x5g s LYS 62 N -5.16 0.51 0.22 -1.24 2.47 -1.26 -5.17 119.74 110.12 1x5g s LYS 62 Ca 0.06 1.01 0.07 0.00 -1.56 0.00 0.00 55.97 55.55 1x5g s LYS 62 Cb -0.03 0.41 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 1x5g s LYS 62 CO 0.07 -0.52 0.11 -1.83 0.16 0.00 0.00 175.35 173.34 1x5g s GLU 63 N 2.79 2.70 0.45 4.03 1.03 -1.26 -4.66 118.70 123.78 1x5g s GLU 63 Ca 0.13 -1.10 0.04 0.00 0.03 0.00 0.00 54.97 54.07 1x5g s GLU 63 Cb -0.14 -2.46 0.04 0.00 -0.80 0.00 0.00 34.13 30.77 1x5g s GLU 63 CO -0.19 0.42 0.33 1.04 -1.33 0.00 0.00 175.26 175.53 1x5g n GLN 64 N -0.77 0.83 -3.94 -4.83 1.13 -1.13 -4.95 117.38 103.71 1x5g n GLN 64 Ca -0.08 -2.80 -0.16 0.00 -1.94 0.00 0.00 57.00 52.02 1x5g n GLN 64 Cb 0.57 0.30 -0.16 0.00 0.11 0.00 0.00 30.24 31.07 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 -3.62 0.36 -0.01 1.08 -4.77 -1.26 -3.52 116.67 104.93 1x5g s ASP 65 Ca 0.25 -0.03 0.04 0.00 -3.30 0.00 0.00 52.55 49.52 1x5g s ASP 65 Cb -0.02 -0.16 -0.01 0.00 -1.09 0.00 0.00 42.92 41.63 1x5g s ASP 65 CO 0.16 -0.07 -0.14 0.68 0.70 0.00 0.00 175.17 176.50 1x5g s VAL 66 N 0.74 1.11 0.13 2.11 -7.23 -0.44 -5.02 120.40 111.80 1x5g s VAL 66 Ca -0.07 -0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 1x5g s VAL 66 Cb -0.10 -0.93 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 1x5g s VAL 66 CO -0.01 0.29 1.20 1.51 -0.31 0.00 0.00 175.10 177.78 1x5g s ASP 67 N -0.39 7.08 -0.03 4.85 1.47 -1.26 -2.82 116.67 125.57 1x5g s ASP 67 Ca 0.05 2.13 0.00 0.00 1.18 0.00 0.00 52.55 55.92 1x5g s ASP 67 Cb -0.06 -2.59 0.03 0.00 -0.34 0.00 0.00 42.92 39.96 1x5g s ASP 67 CO -0.00 -0.42 0.02 -0.69 0.68 0.00 0.00 175.17 174.75 1x5g s VAL 68 N 0.48 0.06 -0.35 2.11 1.01 -0.99 -4.97 120.40 117.76 1x5g s VAL 68 Ca 0.56 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1x5g s VAL 68 Cb -0.31 -0.18 0.45 0.00 0.00 0.00 0.00 36.38 36.33 1x5g s VAL 68 CO 0.33 0.12 1.15 -1.20 0.00 0.00 0.00 175.10 175.50 1x5g n SER 69 N 4.24 4.52 -3.64 3.32 7.64 -1.26 -2.31 113.62 126.12 1x5g n SER 69 Ca -0.26 -3.60 -0.07 0.00 1.01 0.00 0.00 58.87 55.95 1x5g n SER 69 Cb 0.50 -0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 -3.57 -0.33 0.00 6.43 1.04 -1.26 -5.01 113.70 111.00 1x5g s SER 70 Ca 0.48 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1x5g s SER 70 Cb 0.40 0.54 0.17 0.00 0.10 0.00 0.00 66.02 67.23 1x5g s SER 70 CO -0.05 -0.94 1.13 1.41 0.98 0.00 0.00 173.24 175.77 1x5g n HIS 71 N -0.39 0.17 -3.73 5.02 8.25 -1.26 -4.74 115.22 118.53 1x5g n HIS 71 Ca -0.09 -0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 1x5g n HIS 71 Cb 0.62 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.04 -0.32 0.04 0.41 1.04 -1.26 -1.98 113.70 110.59 1x5g s SER 72 Ca 0.10 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 1x5g s SER 72 Cb 0.05 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1x5g s SER 72 CO 0.07 -0.16 0.02 -0.47 0.98 0.00 0.00 173.24 173.68 1x5g s TYR 73 N 1.06 0.34 -0.09 5.02 6.14 -0.81 -4.97 117.35 124.04 1x5g s TYR 73 Ca -0.07 -0.74 -0.00 0.00 0.64 0.00 0.00 57.07 56.89 1x5g s TYR 73 Cb -0.08 -0.25 0.02 0.00 0.42 0.00 0.00 41.96 42.07 1x5g s TYR 73 CO -0.07 -0.34 -0.05 0.99 0.64 0.00 0.00 175.55 176.71 1x5g s THR 74 N -2.94 0.80 -0.27 4.34 2.01 -1.26 -1.51 115.64 116.81 1x5g s THR 74 Ca -0.02 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1x5g s THR 74 Cb 0.01 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1x5g s THR 74 CO -0.06 0.32 0.18 -0.63 -0.69 0.00 0.00 174.62 173.75 1x5g s ILE 75 N 1.68 5.30 0.26 1.82 1.01 0.02 -4.94 121.20 126.34 1x5g s ILE 75 Ca 0.03 0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.94 1x5g s ILE 75 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1x5g s ILE 75 CO -0.06 0.26 0.02 0.20 0.00 0.00 0.00 174.94 175.36 1x5g s ASN 76 N 1.66 4.68 0.00 3.58 0.01 -1.26 -0.46 114.94 123.15 1x5g s ASN 76 Ca 0.07 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1x5g s ASN 76 Cb -0.16 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1x5g s ASN 76 CO 0.10 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 1x5g n GLY 77 N -0.85 0.52 3.64 0.66 0.00 -0.63 -4.97 105.19 103.56 1x5g n GLY 77 Ca -0.07 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.99 2.51 0.66 0.99 1.43 0.87 -5.03 118.68 119.12 1x5g s LEU 78 Ca 0.00 -1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 51.52 1x5g s LEU 78 Cb 0.00 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.53 1x5g s LEU 78 CO 0.00 -0.66 1.00 -0.54 0.23 0.00 0.00 176.35 176.38 1x5g s LYS 79 N -3.79 2.73 0.11 1.70 1.02 -1.26 -4.58 119.74 115.66 1x5g s LYS 79 Ca 0.23 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.18 1x5g s LYS 79 Cb 0.06 -2.15 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1x5g s LYS 79 CO 0.12 -0.95 0.54 0.15 -0.92 0.00 0.00 175.35 174.29 1x5g s LYS 80 N -5.19 4.05 -1.42 1.68 1.02 -1.24 -4.22 119.74 114.42 1x5g s LYS 80 Ca 0.57 0.57 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 1x5g s LYS 80 Cb -0.11 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1x5g s LYS 80 CO 0.47 0.55 0.44 0.98 -0.92 0.00 0.00 175.35 176.88 1x5g n TYR 81 N 1.21 -1.66 -4.30 3.18 9.36 -1.01 -4.97 117.16 118.97 1x5g n TYR 81 Ca -0.08 0.75 -0.19 0.00 3.32 0.00 0.00 57.90 61.71 1x5g n TYR 81 Cb 0.51 -3.70 -0.13 0.00 -0.63 0.00 0.00 39.34 35.39 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 -3.92 0.97 0.45 2.97 2.01 -1.26 -4.86 115.64 112.00 1x5g s THR 82 Ca 0.05 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1x5g s THR 82 Cb -0.03 -0.89 -0.08 0.00 0.01 0.00 0.00 72.50 71.50 1x5g s THR 82 CO 0.89 -0.03 0.90 -0.70 -0.69 0.00 0.00 174.62 175.00 1x5g s GLU 83 N -1.09 3.99 -0.17 4.92 2.12 -1.26 -1.74 118.70 125.47 1x5g s GLU 83 Ca 0.00 0.87 -0.09 0.00 0.36 0.00 0.00 54.97 56.11 1x5g s GLU 83 Cb -0.08 -2.23 0.06 0.00 0.26 0.00 0.00 34.13 32.14 1x5g s GLU 83 CO 0.01 -0.11 0.41 0.71 -0.54 0.00 0.00 175.26 175.74 1x5g s TYR 84 N -2.39 -0.62 0.43 5.30 2.02 -0.12 -3.30 117.35 118.67 1x5g s TYR 84 Ca 0.58 1.31 -0.12 0.00 -0.37 0.00 0.00 57.07 58.46 1x5g s TYR 84 Cb -0.10 0.27 -0.07 0.00 -0.40 0.00 0.00 41.96 41.67 1x5g s TYR 84 CO 0.25 -0.35 0.82 0.45 -1.57 0.00 0.00 175.55 175.15 1x5g s SER 85 N 1.46 6.56 -0.10 2.29 0.15 0.15 -1.54 113.70 122.66 1x5g s SER 85 Ca -0.09 1.25 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 1x5g s SER 85 Cb -0.08 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1x5g s SER 85 CO -0.13 -0.44 0.26 -0.36 1.20 0.00 0.00 173.24 173.77 1x5g s PHE 86 N -2.42 -0.30 -0.12 3.44 0.08 -0.99 -2.64 117.98 115.03 1x5g s PHE 86 Ca 0.53 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 58.20 1x5g s PHE 86 Cb -0.10 0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.47 1x5g s PHE 86 CO 0.31 -0.15 0.31 -0.98 -0.10 0.00 0.00 175.22 174.60 1x5g s ARG 87 N 0.31 0.36 -0.05 0.44 1.70 -1.22 -0.22 118.95 120.27 1x5g s ARG 87 Ca -0.01 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 1x5g s ARG 87 Cb -0.03 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 1x5g s ARG 87 CO -0.01 -0.05 -0.02 0.08 -1.08 0.00 0.00 175.30 174.22 1x5g s VAL 88 N 0.20 4.09 -0.04 4.99 1.01 -1.26 -1.72 120.40 127.67 1x5g s VAL 88 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1x5g s VAL 88 Cb -0.02 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1x5g s VAL 88 CO 0.00 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 1x5g s VAL 89 N -0.94 0.65 -0.06 2.92 1.01 -0.11 -2.88 120.40 121.00 1x5g s VAL 89 Ca 0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1x5g s VAL 89 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1x5g s VAL 89 CO 0.05 0.24 0.68 0.00 0.00 0.00 0.00 175.10 176.07 1x5g s ALA 90 N 0.70 3.35 -0.18 5.51 0.00 -1.26 -0.91 121.76 128.97 1x5g s ALA 90 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1x5g s ALA 90 Cb -0.13 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1x5g s ALA 90 CO 0.01 -0.08 -0.18 0.71 0.00 0.00 0.00 175.76 176.23 1x5g s TYR 91 N 0.71 2.80 0.31 0.00 1.51 -0.89 -1.93 117.35 119.86 1x5g s TYR 91 Ca 0.36 -1.50 0.05 0.00 -1.01 0.00 0.00 57.07 54.96 1x5g s TYR 91 Cb -0.18 -1.94 -0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1x5g s TYR 91 CO 0.18 -0.75 0.02 -0.80 -1.11 0.00 0.00 175.55 173.09 1x5g s ASN 92 N 1.28 2.52 0.32 2.29 0.01 -1.18 -2.27 114.94 117.91 1x5g s ASN 92 Ca 0.04 -1.31 0.08 0.00 -0.71 0.00 0.00 52.86 50.95 1x5g s ASN 92 Cb -0.13 -0.12 0.93 0.00 0.41 0.00 0.00 41.25 42.34 1x5g s ASN 92 CO -0.10 -0.52 1.55 2.29 -1.51 0.00 0.00 177.10 178.80 1x5g n LYS 93 N -0.65 -0.07 0.46 -0.60 2.85 -1.26 -0.65 118.16 118.23 1x5g n LYS 93 Ca -0.03 1.44 -0.18 0.00 -1.05 0.00 0.00 58.31 58.48 1x5g n LYS 93 Cb 0.66 -2.38 -0.09 0.00 -0.65 0.00 0.00 35.03 32.57 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 -1.10 0.00 5.58 3.86 -1.95 -3.49 115.15 118.06 1x5g h HIS 94 Ca 0.67 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1x5g h HIS 94 Cb 1.54 0.36 0.00 0.00 1.06 0.00 0.00 27.41 30.37 1x5g h HIS 94 CO -0.35 -0.68 0.00 0.41 0.86 0.00 0.00 177.93 178.17 1x5g n GLY 95 N -1.34 -2.02 3.71 2.45 0.00 0.17 -5.13 105.19 103.04 1x5g n GLY 95 Ca -0.15 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.79 4.32 0.00 1.61 0.04 -1.26 -3.11 135.00 134.81 1x5g s PRO 96 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x5g s PRO 96 Cb 0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x5g s PRO 96 CO 0.00 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1x5g n GLY 97 N 3.50 1.34 3.18 0.56 0.00 -0.81 -4.94 105.19 108.01 1x5g n GLY 97 Ca 0.12 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.73 1.61 0.24 -1.23 -4.83 118.33 110.38 1x5g n VAL 98 Ca 0.00 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1x5g n VAL 98 Cb 0.00 -0.99 -0.17 0.00 -1.47 0.00 0.00 33.84 31.20 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 -3.16 2.14 0.97 -1.34 0.15 -1.26 -4.39 113.70 106.81 1x5g s SER 99 Ca 0.67 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.77 1x5g s SER 99 Cb -0.11 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 1x5g s SER 99 CO 0.56 -0.26 -0.08 0.35 1.20 0.00 0.00 173.24 175.01 1x5g n THR 100 N 5.13 0.00 -2.22 6.45 -2.24 -1.14 -4.87 114.28 115.39 1x5g n THR 100 Ca -0.08 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1x5g n THR 100 Cb 0.49 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.01 4.39 0.11 -0.78 0.04 -1.26 -4.70 135.00 129.79 1x5g s PRO 101 Ca 0.50 2.05 -0.35 0.00 0.04 0.00 0.00 61.00 63.24 1x5g s PRO 101 Cb -0.19 -3.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.97 1x5g s PRO 101 CO 0.73 -0.26 1.02 -0.25 0.04 0.00 0.00 177.00 178.29 1x5g n ASP 102 N 2.73 0.43 -3.97 6.66 8.00 -1.26 -4.81 116.55 124.32 1x5g n ASP 102 Ca 0.06 1.14 -0.31 0.00 0.71 0.00 0.00 54.79 56.40 1x5g n ASP 102 Cb 0.43 -1.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.35 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 -0.23 3.20 0.20 2.53 1.01 0.69 -4.86 120.40 122.94 1x5g s VAL 103 Ca 0.78 -3.85 -0.30 0.00 0.00 0.00 0.00 61.98 58.61 1x5g s VAL 103 Cb -1.01 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1x5g s VAL 103 CO 0.54 -0.96 1.01 0.00 0.00 0.00 0.00 175.10 175.69 1x5g s ALA 104 N -1.03 3.34 -0.07 5.51 0.00 -1.26 -2.36 121.76 125.89 1x5g s ALA 104 Ca 0.23 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 1x5g s ALA 104 Cb -0.12 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1x5g s ALA 104 CO -0.11 -0.01 0.34 0.54 0.00 0.00 0.00 175.76 176.53 1x5g s VAL 105 N -0.67 0.03 -0.12 0.00 0.11 -0.59 -4.91 120.40 114.26 1x5g s VAL 105 Ca 0.45 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1x5g s VAL 105 Cb -0.27 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1x5g s VAL 105 CO 0.34 -0.14 0.33 -0.60 -3.33 0.00 0.00 175.10 171.70 1x5g s ARG 106 N -0.66 4.12 0.90 1.54 3.52 -1.26 -0.94 118.95 126.17 1x5g s ARG 106 Ca -0.08 0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.59 1x5g s ARG 106 Cb -0.04 -3.36 0.13 0.00 -1.56 0.00 0.00 34.95 30.12 1x5g s ARG 106 CO 0.03 0.37 1.17 0.95 -0.81 0.00 0.00 175.30 177.01 1x5g s THR 107 N 0.03 1.98 0.57 4.11 -4.23 -0.71 -4.69 115.64 112.69 1x5g s THR 107 Ca 0.19 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.53 1x5g s THR 107 Cb -0.14 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1x5g s THR 107 CO 0.07 0.00 1.06 -0.76 -0.54 0.00 0.00 174.62 174.44 1x5g s LEU 108 N -5.91 3.58 -0.26 4.79 1.43 -1.26 -3.90 118.68 117.15 1x5g s LEU 108 Ca 0.65 1.85 -0.08 0.00 -1.03 0.00 0.00 54.13 55.52 1x5g s LEU 108 Cb -0.12 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 1x5g s LEU 108 CO 0.52 -1.09 0.09 -0.55 0.23 0.00 0.00 176.35 175.55 1x5g s SER 109 N -2.58 5.24 -0.76 2.29 0.15 -1.26 -2.40 113.70 114.38 1x5g s SER 109 Ca 0.65 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.82 1x5g s SER 109 Cb -0.16 -1.94 0.06 0.00 -1.71 0.00 0.00 66.02 62.26 1x5g s SER 109 CO 0.33 -0.06 1.15 -0.62 1.20 0.00 0.00 173.24 175.24 1x5g s ASP 110 N 1.62 6.25 -0.38 5.45 2.15 -1.26 -4.85 116.67 125.65 1x5g s ASP 110 Ca 0.06 -0.95 0.06 0.00 0.43 0.00 0.00 52.55 52.15 1x5g s ASP 110 Cb -0.15 -2.49 0.44 0.00 -0.30 0.00 0.00 42.92 40.42 1x5g s ASP 110 CO 0.04 -1.56 1.24 -1.20 -0.17 0.00 0.00 175.17 173.53 1x5g n SER 111 N 8.34 5.12 0.00 -0.34 7.64 -1.26 -5.09 113.62 128.03 1x5g n SER 111 Ca 0.06 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1x5g n SER 111 Cb 0.48 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.65 0.29 3.56 0.23 0.00 -1.26 -4.42 105.19 102.93 1x5g n GLY 112 Ca 0.44 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 2.58 -0.38 1.61 0.04 -1.26 -4.94 135.00 132.64 1x5g s PRO 113 Ca 0.00 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.88 1x5g s PRO 113 Cb 0.00 -4.88 0.03 0.00 0.04 0.00 0.00 34.50 29.69 1x5g s PRO 113 CO 0.00 -3.20 0.22 0.45 0.04 0.00 0.00 177.00 174.51 1x5g s SER 114 N 8.05 5.77 -0.05 6.66 0.15 -1.26 -5.05 113.70 127.96 1x5g s SER 114 Ca 0.69 -1.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 1x5g s SER 114 Cb -0.08 -2.03 0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1x5g s SER 114 CO 0.05 -0.41 0.10 -0.55 1.20 0.00 0.00 173.24 173.63 1x5g s SER 115 N 1.61 0.35 0.00 5.45 0.15 -1.26 -5.16 113.70 114.85 1x5g s SER 115 Ca 0.02 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1x5g s SER 115 Cb -0.20 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1x5g s SER 115 CO 0.07 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.93