#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3x s ARG 6 N 0.00 3.54 0.07 1.57 0.52 -1.26 -5.02 118.95 118.36 3h3x s ARG 6 Ca 0.00 0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 55.36 3h3x s ARG 6 Cb 0.00 -2.23 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 3h3x s ARG 6 CO 0.00 -0.41 1.22 -2.14 0.02 0.00 0.00 175.30 173.99 3h3x s PRO 7 N -4.97 4.42 0.10 3.54 0.02 -1.26 -4.38 135.00 132.47 3h3x s PRO 7 Ca 0.51 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 3h3x s PRO 7 Cb -0.11 -3.34 -0.06 0.00 0.02 0.00 0.00 34.50 31.01 3h3x s PRO 7 CO 0.49 -0.28 1.22 0.45 -0.33 0.00 0.00 177.00 178.55 3h3x s SER 8 N 1.07 7.06 -0.17 2.53 0.15 -1.26 -0.67 113.70 122.41 3h3x s SER 8 Ca 0.59 2.10 0.01 0.00 0.70 0.00 0.00 55.95 59.35 3h3x s SER 8 Cb -0.30 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.45 3h3x s SER 8 CO 0.29 -0.46 -0.12 -0.69 1.20 0.00 0.00 173.24 173.46 3h3x s VAL 9 N 0.77 1.60 -0.16 4.45 1.01 0.45 -0.48 120.40 128.03 3h3x s VAL 9 Ca 0.58 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 3h3x s VAL 9 Cb -0.31 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3h3x s VAL 9 CO 0.31 0.34 0.27 -0.69 0.00 0.00 0.00 175.10 175.33 3h3x s VAL 10 N 1.45 5.32 -0.19 2.92 1.01 0.05 -1.22 120.40 129.74 3h3x s VAL 10 Ca 0.02 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3h3x s VAL 10 Cb -0.14 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3h3x s VAL 10 CO -0.10 0.41 -0.17 0.86 0.00 0.00 0.00 175.10 176.09 3h3x s TRP 11 N 0.39 2.81 -0.03 5.22 -0.11 -0.91 0.08 118.94 126.38 3h3x s TRP 11 Ca 0.15 -1.74 0.01 0.00 1.22 0.00 0.00 56.10 55.75 3h3x s TRP 11 Cb -0.13 -1.89 -0.03 0.00 -1.50 0.00 0.00 33.47 29.93 3h3x s TRP 11 CO 0.03 -0.81 -0.05 -0.51 -4.62 0.00 0.00 176.95 171.00 3h3x s LEU 12 N 1.28 3.28 -0.21 5.86 1.43 0.04 -4.35 118.68 126.01 3h3x s LEU 12 Ca 0.02 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3h3x s LEU 12 Cb -0.14 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 3h3x s LEU 12 CO -0.11 0.32 -0.07 -1.00 0.23 0.00 0.00 176.35 175.72 3h3x s HIS 13 N -0.94 2.92 0.00 0.29 3.76 -1.26 -1.35 115.29 118.71 3h3x s HIS 13 Ca 0.16 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 3h3x s HIS 13 Cb -0.11 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3h3x s HIS 13 CO 0.05 -0.56 0.00 0.09 -0.85 0.00 0.00 174.74 173.48 3h3x n ASN 14 N 4.68 0.00 -4.56 1.40 4.13 0.23 -4.97 115.26 116.17 3h3x n ASN 14 Ca -0.19 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.70 3h3x n ASN 14 Cb 0.51 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.71 3h3x n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h3x s ALA 15 N -2.49 2.44 0.17 5.41 0.00 -0.33 -4.85 121.76 122.11 3h3x s ALA 15 Ca 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 51.96 49.86 3h3x s ALA 15 Cb 0.00 -4.53 -0.02 0.00 0.00 0.00 0.00 23.12 18.57 3h3x s ALA 15 CO 0.00 -3.92 0.22 -1.83 0.00 0.00 0.00 175.76 170.23 3h3x s GLU 16 N 5.52 1.13 0.00 0.00 4.04 -1.26 -0.62 118.70 127.51 3h3x s GLU 16 Ca 0.52 -1.31 0.19 0.00 0.04 0.00 0.00 54.97 54.41 3h3x s GLU 16 Cb -0.02 0.33 0.08 0.00 0.02 0.00 0.00 34.13 34.54 3h3x s GLU 16 CO -0.07 -0.39 1.02 0.00 -1.84 0.00 0.00 175.26 173.98 3h3x n THR 18 N 0.53 0.00 0.25 0.00 -1.04 -1.26 -4.89 114.28 107.88 3h3x n THR 18 Ca 0.09 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.20 3h3x n THR 18 Cb 0.43 -0.13 0.64 0.00 -1.82 0.00 0.00 70.33 69.45 3h3x n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3h3x h GLY 19 N 0.00 0.00 1.50 3.41 0.00 -1.98 -1.68 103.07 104.32 3h3x h GLY 19 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3h3x h GLY 19 CO 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.80 3h3x h THR 21 N 0.33 1.25 -0.40 0.00 2.02 -1.90 -0.24 112.91 113.98 3h3x h THR 21 Ca -0.04 -1.03 -0.15 0.00 0.77 0.00 0.00 66.41 65.96 3h3x h THR 21 Cb 1.33 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3h3x h THR 21 CO 0.13 0.38 -0.34 -0.33 0.37 0.00 0.00 175.52 175.73 3h3x h GLU 22 N 0.91 0.93 -0.36 6.66 4.39 -1.05 -2.39 114.58 123.67 3h3x h GLU 22 Ca 0.18 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 3h3x h GLU 22 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3h3x h GLU 22 CO 0.02 1.12 0.05 0.00 -1.16 0.00 0.00 179.01 179.03 3h3x h ALA 23 N 0.83 0.48 -0.61 3.43 0.00 -0.52 -3.00 119.26 119.88 3h3x h ALA 23 Ca 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3h3x h ALA 23 Cb 0.92 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3h3x h ALA 23 CO 0.09 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.77 3h3x h ALA 24 N 0.90 0.80 0.00 0.00 0.00 -0.81 -1.20 119.26 118.95 3h3x h ALA 24 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h3x h ALA 24 Cb 0.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h3x h ALA 24 CO 0.01 -0.17 0.00 0.44 0.00 0.00 0.00 179.25 179.52 3h3x n ILE 25 N -4.98 0.00 1.73 0.00 -5.35 -0.92 -1.86 119.36 107.99 3h3x n ILE 25 Ca 0.09 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.72 3h3x n ILE 25 Cb 0.27 -0.62 0.72 0.00 -1.74 0.00 0.00 39.64 38.27 3h3x n ILE 25 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3h3x n ARG 26 N -0.99 1.33 -1.69 6.28 5.12 -0.45 -4.70 116.66 121.57 3h3x n ARG 26 Ca 0.17 -0.50 -0.44 0.00 -1.93 0.00 0.00 57.85 55.15 3h3x n ARG 26 Cb 0.08 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 3h3x n ARG 26 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3h3x n THR 27 N -0.40 1.04 0.04 0.55 5.66 -0.77 -4.94 114.28 115.47 3h3x n THR 27 Ca 0.21 -0.26 0.01 0.00 -3.05 0.00 0.00 64.05 60.96 3h3x n THR 27 Cb 0.24 -1.56 0.01 0.00 -1.55 0.00 0.00 70.33 67.47 3h3x n THR 27 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3h3x n ILE 28 N 1.82 0.27 -3.26 1.09 -5.35 -1.26 -3.99 119.36 108.68 3h3x n ILE 28 Ca 0.11 -0.64 -0.23 0.00 -0.27 0.00 0.00 62.75 61.72 3h3x n ILE 28 Cb 0.33 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 39.04 3h3x n ILE 28 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3h3x n LYS 29 N -0.02 0.30 -2.65 6.28 4.81 -1.26 -3.91 118.16 121.70 3h3x n LYS 29 Ca 0.01 -2.97 -0.23 0.00 -0.87 0.00 0.00 58.31 54.25 3h3x n LYS 29 Cb 0.11 -1.59 0.10 0.00 0.02 0.00 0.00 35.03 33.66 3h3x n LYS 29 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3h3x s PRO 30 N 0.08 1.81 0.67 1.64 0.04 -1.26 -4.95 135.00 133.02 3h3x s PRO 30 Ca 0.33 -1.17 -0.16 0.00 0.04 0.00 0.00 61.00 60.04 3h3x s PRO 30 Cb 0.05 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3h3x s PRO 30 CO -0.17 -1.33 1.15 0.71 0.04 0.00 0.00 177.00 177.41 3h3x s TYR 31 N -3.06 2.40 0.45 0.56 2.02 -1.25 -4.74 117.35 113.73 3h3x s TYR 31 Ca 0.65 1.56 0.21 0.00 -0.37 0.00 0.00 57.07 59.12 3h3x s TYR 31 Cb -0.06 -3.32 1.19 0.00 -0.40 0.00 0.00 41.96 39.37 3h3x s TYR 31 CO 0.43 -2.05 1.89 0.97 -1.57 0.00 0.00 175.55 175.22 3h3x h ILE 32 N 0.12 0.68 -0.32 2.71 6.09 -1.84 -0.46 117.51 124.49 3h3x h ILE 32 Ca -0.48 -0.10 -0.12 0.00 -1.37 0.00 0.00 64.86 62.79 3h3x h ILE 32 Cb 1.27 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 3h3x h ILE 32 CO 0.53 0.05 -0.28 -2.24 -3.07 0.00 0.00 178.15 173.14 3h3x h ASP 33 N 0.29 0.80 -0.79 2.19 2.03 -1.95 -1.63 116.42 117.37 3h3x h ASP 33 Ca 0.42 -0.46 -0.05 0.00 -0.73 0.00 0.00 57.03 56.22 3h3x h ASP 33 Cb 1.21 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.45 3h3x h ASP 33 CO -0.12 1.10 0.30 0.00 -1.03 0.00 0.00 179.24 179.49 3h3x h ALA 34 N 0.73 1.04 -0.26 4.15 0.00 -1.47 -0.24 119.26 123.21 3h3x h ALA 34 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h3x h ALA 34 Cb 0.86 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h3x h ALA 34 CO 0.07 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.38 3h3x h LEU 35 N 1.16 0.20 -0.00 0.00 5.85 -1.12 0.71 115.31 122.10 3h3x h LEU 35 Ca 0.26 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3h3x h LEU 35 Cb 0.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3h3x h LEU 35 CO -0.02 0.15 -0.45 2.30 -0.34 0.00 0.00 178.44 180.08 3h3x n ILE 36 N -4.97 0.00 -0.07 4.05 -5.35 -0.63 -0.84 119.36 111.55 3h3x n ILE 36 Ca -0.02 -0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 3h3x n ILE 36 Cb 0.06 0.18 -0.16 0.00 -1.74 0.00 0.00 39.64 37.98 3h3x n ILE 36 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h3x n LEU 37 N -1.50 0.00 -0.03 7.28 4.77 -0.13 -4.65 117.00 122.75 3h3x n LEU 37 Ca 0.06 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 3h3x n LEU 37 Cb 0.34 0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3h3x n LEU 37 CO 0.34 0.32 -0.68 0.47 -1.33 0.00 0.00 177.39 176.51 3h3x n ASP 38 N -2.56 3.60 -0.12 -1.43 8.00 0.23 -4.95 116.55 119.33 3h3x n ASP 38 Ca -0.22 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.03 3h3x n ASP 38 Cb 0.94 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 3h3x n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3h3x n THR 39 N -2.63 1.51 -4.51 -3.53 -1.04 -0.53 -4.99 114.28 98.57 3h3x n THR 39 Ca -0.09 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.51 3h3x n THR 39 Cb 0.60 -2.06 -0.10 0.00 -1.82 0.00 0.00 70.33 66.95 3h3x n THR 39 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3h3x s ILE 40 N -2.55 2.28 -0.45 12.58 -4.36 -0.02 -4.16 121.20 124.53 3h3x s ILE 40 Ca -0.33 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 57.82 3h3x s ILE 40 Cb 0.10 -2.71 0.10 0.00 1.25 0.00 0.00 42.46 41.19 3h3x s ILE 40 CO 0.47 -0.18 0.31 -0.55 0.24 0.00 0.00 174.94 175.24 3h3x s SER 41 N -3.64 5.72 -0.80 4.36 0.15 0.16 -4.43 113.70 115.21 3h3x s SER 41 Ca 0.33 -1.67 -0.25 0.00 0.70 0.00 0.00 55.95 55.06 3h3x s SER 41 Cb 0.03 -2.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 3h3x s SER 41 CO 0.17 -0.62 1.27 -0.22 1.20 0.00 0.00 173.24 175.04 3h3x s LEU 42 N 1.42 3.52 0.00 3.45 2.96 -1.26 -0.41 118.68 128.35 3h3x s LEU 42 Ca 0.04 -0.85 0.23 0.00 -0.22 0.00 0.00 54.13 53.34 3h3x s LEU 42 Cb -0.25 -2.53 0.18 0.00 0.50 0.00 0.00 46.19 44.09 3h3x s LEU 42 CO 0.01 -1.66 1.19 0.47 -1.32 0.00 0.00 176.35 175.04 3h3x n ASP 43 N 8.88 0.79 -3.65 3.68 8.00 -0.36 -4.79 116.55 129.10 3h3x n ASP 43 Ca 0.10 -0.64 -0.05 0.00 0.71 0.00 0.00 54.79 54.91 3h3x n ASP 43 Cb 0.49 0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 3h3x n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3h3x s TYR 44 N -2.96 -1.12 -0.32 1.24 5.04 -1.25 -4.65 117.35 113.32 3h3x s TYR 44 Ca 0.10 2.13 0.02 0.00 -2.44 0.00 0.00 57.07 56.88 3h3x s TYR 44 Cb 0.17 0.66 0.19 0.00 0.35 0.00 0.00 41.96 43.33 3h3x s TYR 44 CO 0.76 -0.56 0.72 -1.14 -1.34 0.00 0.00 175.55 173.99 3h3x s GLN 45 N 2.09 0.51 0.42 4.97 -0.44 -1.26 -2.14 119.66 123.80 3h3x s GLN 45 Ca -0.08 0.23 0.08 0.00 -2.50 0.00 0.00 55.36 53.09 3h3x s GLN 45 Cb -0.08 0.16 0.90 0.00 -1.64 0.00 0.00 33.01 32.35 3h3x s GLN 45 CO -0.19 -0.87 2.05 0.93 0.50 0.00 0.00 175.29 177.71 3h3x h GLU 46 N 7.41 0.51 -0.39 1.67 5.08 -1.95 0.13 114.58 127.03 3h3x h GLU 46 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3h3x h GLU 46 Cb 1.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3h3x h GLU 46 CO 0.07 0.33 0.09 1.15 -1.00 0.00 0.00 179.01 179.66 3h3x h THR 47 N 0.52 1.18 0.00 1.13 2.02 -1.97 -3.35 112.91 112.44 3h3x h THR 47 Ca 0.17 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3h3x h THR 47 Cb 0.04 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3h3x h THR 47 CO -0.04 0.24 0.00 2.30 0.37 0.00 0.00 175.52 178.39 3h3x n ILE 48 N -4.32 0.00 -1.58 3.11 -5.35 -0.74 -5.08 119.36 105.39 3h3x n ILE 48 Ca 0.02 -0.41 -0.33 0.00 -0.27 0.00 0.00 62.75 61.76 3h3x n ILE 48 Cb 0.20 1.02 0.07 0.00 -1.74 0.00 0.00 39.64 39.18 3h3x n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3x s MET 49 N -0.73 2.48 0.02 6.28 0.23 0.37 -4.97 119.30 122.98 3h3x s MET 49 Ca 0.00 1.51 -0.13 0.00 -1.03 0.00 0.00 55.69 56.03 3h3x s MET 49 Cb 0.00 -1.90 -0.34 0.00 -1.53 0.00 0.00 34.83 31.06 3h3x s MET 49 CO 0.00 -1.52 0.95 0.00 -2.03 0.00 0.00 175.02 172.42 3h3x h ALA 50 N -0.21 -0.07 -2.84 3.16 0.00 -1.95 -3.46 119.26 113.89 3h3x h ALA 50 Ca -0.47 -0.92 -0.53 0.00 0.00 0.00 0.00 54.91 52.99 3h3x h ALA 50 Cb 1.26 0.21 0.10 0.00 0.00 0.00 0.00 17.79 19.36 3h3x h ALA 50 CO 0.52 0.80 0.54 0.00 0.00 0.00 0.00 179.25 181.11 3h3x s ALA 51 N -2.60 2.92 0.24 0.00 0.00 -1.26 -5.05 121.76 116.01 3h3x s ALA 51 Ca -0.10 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3h3x s ALA 51 Cb 0.05 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3h3x s ALA 51 CO 0.92 -0.97 -0.04 0.00 0.00 0.00 0.00 175.76 175.67 3h3x s ALA 52 N -1.43 2.01 0.00 0.00 0.00 -1.26 -4.52 121.76 116.56 3h3x s ALA 52 Ca 0.67 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3h3x s ALA 52 Cb -0.34 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3h3x s ALA 52 CO 0.41 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3h3x n GLY 53 N -0.47 3.24 0.36 0.00 0.00 -1.26 -2.35 105.19 104.71 3h3x n GLY 53 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 3h3x n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3x h GLU 54 N 0.00 1.18 -1.00 1.61 5.08 -1.98 -0.38 114.58 119.09 3h3x h GLU 54 Ca 0.00 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3h3x h GLU 54 Cb 0.00 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 3h3x h GLU 54 CO 0.00 0.84 0.65 0.00 -1.00 0.00 0.00 179.01 179.50 3h3x h ALA 55 N 1.36 1.26 0.10 3.43 0.00 -1.90 0.15 119.26 123.66 3h3x h ALA 55 Ca 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h3x h ALA 55 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.37 3h3x h ALA 55 CO -0.05 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 3h3x h ALA 56 N 1.36 -0.13 -0.14 0.00 0.00 -0.94 -2.00 119.26 117.41 3h3x h ALA 56 Ca 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3h3x h ALA 56 Cb -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h3x h ALA 56 CO -0.08 -0.51 -0.00 1.49 0.00 0.00 0.00 179.25 180.15 3h3x h GLU 57 N -0.26 0.19 -0.27 0.00 4.81 -0.83 -1.79 114.58 116.42 3h3x h GLU 57 Ca -0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3h3x h GLU 57 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3h3x h GLU 57 CO 0.02 0.22 -0.00 0.00 -0.73 0.00 0.00 179.01 178.52 3h3x h ALA 58 N 1.81 0.37 -0.99 2.92 0.00 -0.60 -2.22 119.26 120.55 3h3x h ALA 58 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3h3x h ALA 58 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3h3x h ALA 58 CO 0.00 0.11 0.65 0.00 0.00 0.00 0.00 179.25 180.01 3h3x h ALA 59 N 0.82 1.33 0.25 0.00 0.00 -0.57 0.91 119.26 122.00 3h3x h ALA 59 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h3x h ALA 59 Cb 0.43 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h3x h ALA 59 CO 0.01 0.59 -0.12 1.25 0.00 0.00 0.00 179.25 180.99 3h3x h LEU 60 N 1.29 -0.28 -1.87 0.00 5.85 -1.24 -1.39 115.31 117.67 3h3x h LEU 60 Ca 0.38 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.12 3h3x h LEU 60 Cb -0.06 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3h3x h LEU 60 CO -0.10 -0.10 0.30 0.45 -0.34 0.00 0.00 178.44 178.65 3h3x h HIS 61 N -0.45 0.16 -0.22 1.25 3.86 -1.10 0.68 115.15 119.33 3h3x h HIS 61 Ca -0.03 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3h3x h HIS 61 Cb 0.34 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3h3x h HIS 61 CO -0.03 0.08 -0.18 0.37 0.86 0.00 0.00 177.93 179.03 3h3x h GLN 62 N 0.15 0.51 -0.49 2.45 4.15 -0.59 -2.65 115.11 118.64 3h3x h GLN 62 Ca 0.20 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 3h3x h GLN 62 Cb 0.61 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3h3x h GLN 62 CO -0.03 0.83 -0.17 0.00 -1.93 0.00 0.00 178.83 177.53 3h3x h ALA 63 N 0.67 0.78 0.00 3.38 0.00 -0.08 -2.42 119.26 121.59 3h3x h ALA 63 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3h3x h ALA 63 Cb 0.72 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h3x h ALA 63 CO 0.05 0.66 -0.16 -0.07 0.00 0.00 0.00 179.25 179.73 3h3x h LEU 64 N 0.84 0.00 -2.59 0.00 3.38 -0.97 -2.61 115.31 113.37 3h3x h LEU 64 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3h3x h LEU 64 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3h3x h LEU 64 CO 0.06 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.12 3h3x n GLU 65 N -3.61 2.63 -1.87 1.13 -0.58 -1.00 -5.00 120.64 112.34 3h3x n GLU 65 Ca -0.01 -2.49 -0.39 0.00 -0.42 0.00 0.00 57.16 53.85 3h3x n GLU 65 Cb 0.29 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.64 3h3x n GLU 65 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3h3x s GLY 66 N -1.18 2.91 0.27 0.62 0.00 -0.93 -4.92 107.32 104.09 3h3x s GLY 66 Ca 0.44 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.56 3h3x s GLY 66 CO 0.32 1.95 1.68 0.50 0.00 0.00 0.00 173.10 177.55 3h3x h LYS 67 N 2.21 0.37 -0.31 2.90 6.56 -1.91 -2.93 116.57 123.46 3h3x h LYS 67 Ca -0.51 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.91 3h3x h LYS 67 Cb 1.27 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 3h3x h LYS 67 CO 0.61 0.70 0.00 -0.25 -2.06 0.00 0.00 179.45 178.44 3h3x n ASP 68 N -4.05 1.65 -0.71 0.86 8.00 -1.26 -5.04 116.55 116.01 3h3x n ASP 68 Ca -0.01 -2.00 0.07 0.00 0.71 0.00 0.00 54.79 53.55 3h3x n ASP 68 Cb 0.47 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 3h3x n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 69 N 0.98 -1.82 3.56 0.44 0.00 -1.11 -4.96 105.19 102.28 3h3x n GLY 69 Ca 0.10 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 3h3x n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3x s TYR 70 N -1.02 0.01 0.04 1.61 -0.85 -1.26 -4.42 117.35 111.45 3h3x s TYR 70 Ca 0.00 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 3h3x s TYR 70 Cb 0.00 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 3h3x s TYR 70 CO 0.00 -0.95 0.04 0.71 -1.52 0.00 0.00 175.55 173.83 3h3x s TYR 71 N -3.91 3.15 -0.19 -3.49 2.02 0.37 -0.82 117.35 114.48 3h3x s TYR 71 Ca 0.13 0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 3h3x s TYR 71 Cb -0.01 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3h3x s TYR 71 CO 0.01 0.50 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.30 3h3x s LEU 72 N -1.99 3.18 -0.15 -1.29 2.96 -0.56 -0.77 118.68 120.07 3h3x s LEU 72 Ca 0.24 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3h3x s LEU 72 Cb -0.12 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3h3x s LEU 72 CO 0.16 0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.56 3h3x s VAL 73 N 0.87 4.02 -0.07 1.68 1.01 0.11 -0.86 120.40 127.17 3h3x s VAL 73 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3h3x s VAL 73 Cb -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3h3x s VAL 73 CO 0.02 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 3h3x s VAL 74 N 0.22 1.59 -0.09 2.92 1.01 0.01 -0.78 120.40 125.27 3h3x s VAL 74 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3h3x s VAL 74 Cb -0.14 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3h3x s VAL 74 CO 0.02 0.46 -0.16 -0.70 0.00 0.00 0.00 175.10 174.72 3h3x s GLU 75 N 0.29 2.18 0.00 2.72 2.12 -0.46 -1.61 118.70 123.95 3h3x s GLU 75 Ca -0.11 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3h3x s GLU 75 Cb -0.15 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.47 3h3x s GLU 75 CO 0.05 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 3h3x n GLY 76 N 3.89 2.11 3.82 -1.50 0.00 -1.26 -0.60 105.19 111.64 3h3x n GLY 76 Ca -0.21 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 3h3x n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3x s GLY 77 N -0.06 1.69 -0.29 -0.02 0.00 0.21 -3.52 107.32 105.33 3h3x s GLY 77 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 3h3x s GLY 77 CO 0.00 -0.26 0.01 1.08 0.00 0.00 0.00 173.10 173.93 3h3x s LEU 78 N -6.19 3.71 -0.08 0.66 1.43 0.23 -1.19 118.68 117.25 3h3x s LEU 78 Ca 0.71 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3h3x s LEU 78 Cb -0.07 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3h3x s LEU 78 CO 0.54 -0.21 1.15 -2.16 0.23 0.00 0.00 176.35 175.89 3h3x s PRO 79 N 1.34 4.36 0.00 1.29 0.04 -1.26 -0.91 135.00 139.85 3h3x s PRO 79 Ca -0.02 1.59 0.12 0.00 0.04 0.00 0.00 61.00 62.74 3h3x s PRO 79 Cb -0.18 -3.57 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 3h3x s PRO 79 CO -0.01 -0.44 0.54 0.25 0.04 0.00 0.00 177.00 177.38 3h3x n THR 80 N 4.67 0.00 -1.56 1.26 -2.24 -0.78 -4.30 114.28 111.33 3h3x n THR 80 Ca 0.11 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 3h3x n THR 80 Cb 0.47 1.02 0.08 0.00 -2.10 0.00 0.00 70.33 69.80 3h3x n THR 80 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3h3x s ILE 81 N -2.05 2.25 -1.51 2.28 2.07 -0.69 -2.74 121.20 120.81 3h3x s ILE 81 Ca 0.05 0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.36 3h3x s ILE 81 Cb 0.09 -2.83 0.06 0.00 0.13 0.00 0.00 42.46 39.91 3h3x s ILE 81 CO 0.47 -0.05 0.58 0.47 -1.91 0.00 0.00 174.94 174.50 3h3x n ASP 82 N -2.41 -1.64 -1.90 4.50 8.00 -1.26 -1.70 116.55 120.14 3h3x n ASP 82 Ca 0.14 -0.99 -0.16 0.00 0.71 0.00 0.00 54.79 54.49 3h3x n ASP 82 Cb 0.50 -3.04 -0.00 0.00 -0.02 0.00 0.00 41.12 38.55 3h3x n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 83 N -1.78 -0.29 2.14 0.44 0.00 -1.20 -2.39 105.19 102.11 3h3x n GLY 83 Ca -0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3h3x n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 84 N -1.06 0.56 0.06 -0.02 0.00 -0.69 -4.87 105.19 99.17 3h3x n GLY 84 Ca -0.18 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.46 3h3x n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h3x n GLN 85 N -2.64 0.61 0.00 1.61 6.02 -1.01 -3.36 117.38 118.62 3h3x n GLN 85 Ca -0.02 -0.12 0.15 0.00 -0.01 0.00 0.00 57.00 57.00 3h3x n GLN 85 Cb 0.11 -1.50 0.69 0.00 1.02 0.00 0.00 30.24 30.56 3h3x n GLN 85 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3h3x n TRP 86 N -1.09 0.00 -3.45 1.08 7.02 -1.26 -4.53 117.44 115.22 3h3x n TRP 86 Ca 0.15 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.45 3h3x n TRP 86 Cb 0.25 -0.02 -0.11 0.00 -2.42 0.00 0.00 31.31 29.01 3h3x n TRP 86 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3h3x s GLY 87 N -2.05 -0.05 0.04 6.99 0.00 -1.21 -5.03 107.32 106.00 3h3x s GLY 87 Ca 0.41 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.10 3h3x s GLY 87 CO 0.36 2.40 -0.10 1.06 0.00 0.00 0.00 173.10 176.82 3h3x s MET 88 N 2.34 0.66 -0.03 2.90 -1.94 -1.26 -0.93 119.30 121.04 3h3x s MET 88 Ca 0.09 -0.67 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 3h3x s MET 88 Cb -0.15 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.13 3h3x s MET 88 CO -0.23 0.13 -0.07 0.08 -0.01 0.00 0.00 175.02 174.92 3h3x s VAL 89 N -0.97 0.66 -1.49 -6.03 1.01 -0.23 -4.82 120.40 108.53 3h3x s VAL 89 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3h3x s VAL 89 Cb -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3h3x s VAL 89 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.34 3h3x n ALA 90 N 3.59 -0.58 -0.75 5.51 0.00 -1.26 -1.10 120.51 125.92 3h3x n ALA 90 Ca -0.21 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3h3x n ALA 90 Cb 0.53 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3h3x n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3x n GLY 91 N -0.73 0.63 3.31 0.00 0.00 -1.26 -5.04 105.19 102.10 3h3x n GLY 91 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3h3x n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3x s HIS 92 N -2.03 2.67 0.27 1.61 0.09 -0.26 -5.10 115.29 112.54 3h3x s HIS 92 Ca 0.00 -0.77 -0.29 0.00 -0.00 0.00 0.00 55.06 54.00 3h3x s HIS 92 Cb 0.00 -1.76 -0.14 0.00 -0.00 0.00 0.00 32.58 30.68 3h3x s HIS 92 CO 0.00 -0.26 1.09 -2.30 -0.00 0.00 0.00 174.74 173.27 3h3x n PRO 93 N 3.39 1.46 -0.32 8.40 -0.02 -1.26 -1.07 135.00 145.58 3h3x n PRO 93 Ca -0.18 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 3h3x n PRO 93 Cb 0.53 -1.95 0.08 0.00 -0.02 0.00 0.00 33.50 32.14 3h3x n PRO 93 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3h3x h MET 94 N 2.43 1.20 -0.99 -0.52 2.86 -1.17 -1.78 114.93 116.97 3h3x h MET 94 Ca -0.41 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.18 3h3x h MET 94 Cb 1.33 -0.23 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 3h3x h MET 94 CO 0.63 0.89 0.63 0.97 1.06 0.00 0.00 176.91 181.10 3h3x h ILE 95 N 1.20 0.98 -0.38 -1.22 6.09 -1.85 0.22 117.51 122.55 3h3x h ILE 95 Ca 0.30 -0.36 -0.03 0.00 -1.37 0.00 0.00 64.86 63.41 3h3x h ILE 95 Cb 0.05 -0.15 -0.02 0.00 0.47 0.00 0.00 36.82 37.17 3h3x h ILE 95 CO -0.05 0.19 0.14 -0.08 -3.07 0.00 0.00 178.15 175.28 3h3x h GLU 96 N 1.04 0.58 -0.26 2.19 4.81 -1.69 -0.88 114.58 120.36 3h3x h GLU 96 Ca 0.47 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.43 3h3x h GLU 96 Cb 0.38 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3h3x h GLU 96 CO -0.22 0.57 -0.43 1.15 -0.73 0.00 0.00 179.01 179.35 3h3x h THR 97 N 0.47 1.30 -0.53 0.32 2.02 -1.02 -2.36 112.91 113.11 3h3x h THR 97 Ca 0.13 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.60 3h3x h THR 97 Cb 0.22 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3h3x h THR 97 CO -0.01 0.52 -0.01 0.74 0.37 0.00 0.00 175.52 177.13 3h3x h THR 98 N 0.50 1.25 -0.16 3.16 2.02 -0.96 -1.42 112.91 117.30 3h3x h THR 98 Ca 0.02 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3h3x h THR 98 Cb 1.03 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3h3x h THR 98 CO 0.10 0.39 0.10 0.50 0.37 0.00 0.00 175.52 176.98 3h3x h LYS 99 N 0.83 0.21 -0.06 6.66 3.64 -1.03 -1.00 116.57 125.82 3h3x h LYS 99 Ca 0.15 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h3x h LYS 99 Cb 0.51 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3h3x h LYS 99 CO 0.03 0.16 0.01 0.87 -2.27 0.00 0.00 179.45 178.25 3h3x h LYS 100 N 0.20 0.03 -0.41 1.90 1.57 -1.22 -2.49 116.57 116.15 3h3x h LYS 100 Ca 0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3h3x h LYS 100 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3h3x h LYS 100 CO -0.01 0.02 0.22 0.00 -0.57 0.00 0.00 179.45 179.11 3h3x h ALA 101 N 1.05 1.61 -0.03 3.86 0.00 -1.11 -2.88 119.26 121.76 3h3x h ALA 101 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3h3x h ALA 101 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h3x h ALA 101 CO -0.04 0.33 -0.87 0.00 0.00 0.00 0.00 179.25 178.66 3h3x h ALA 102 N 1.67 0.42 -0.99 0.00 0.00 -1.05 -3.07 119.26 116.25 3h3x h ALA 102 Ca 0.15 -0.67 0.23 0.00 0.00 0.00 0.00 54.91 54.61 3h3x h ALA 102 Cb 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3h3x h ALA 102 CO -0.02 0.79 0.63 0.00 0.00 0.00 0.00 179.25 180.65 3h3x h ALA 103 N 0.78 2.06 -0.21 0.00 0.00 -1.21 -2.54 119.26 118.13 3h3x h ALA 103 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h3x h ALA 103 Cb 1.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3h3x h ALA 103 CO 0.15 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 180.61 3h3x n LYS 104 N -4.64 2.16 -2.21 0.00 5.02 -1.24 -5.03 118.16 112.23 3h3x n LYS 104 Ca 0.23 -1.70 -0.36 0.00 -2.02 0.00 0.00 58.31 54.46 3h3x n LYS 104 Cb 0.74 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.54 3h3x n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3x s ALA 105 N -0.94 2.73 -0.16 7.82 0.00 -0.96 -4.64 121.76 125.61 3h3x s ALA 105 Ca 0.17 0.89 0.27 0.00 0.00 0.00 0.00 51.96 53.29 3h3x s ALA 105 Cb 0.09 -3.39 0.81 0.00 0.00 0.00 0.00 23.12 20.64 3h3x s ALA 105 CO 0.13 -0.83 1.78 0.87 0.00 0.00 0.00 175.76 177.71 3h3x h LYS 106 N 1.32 0.00 -1.05 0.00 1.57 -1.33 -3.47 116.57 113.61 3h3x h LYS 106 Ca -0.50 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 58.59 3h3x h LYS 106 Cb 1.27 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.35 3h3x h LYS 106 CO 0.57 0.03 0.98 0.20 -0.57 0.00 0.00 179.45 180.66 3h3x s GLY 107 N -4.21 -0.12 -0.13 3.86 0.00 -1.26 -5.05 107.32 100.41 3h3x s GLY 107 Ca 0.04 2.18 -0.00 0.00 0.00 0.00 0.00 44.72 46.94 3h3x s GLY 107 CO 0.62 0.77 -0.08 -0.42 0.00 0.00 0.00 173.10 173.98 3h3x s ILE 108 N -1.76 1.15 -0.24 0.90 1.01 -1.26 -1.49 121.20 119.51 3h3x s ILE 108 Ca 0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 3h3x s ILE 108 Cb -0.01 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3h3x s ILE 108 CO -0.04 0.32 0.09 -0.63 0.00 0.00 0.00 174.94 174.68 3h3x s ILE 109 N 1.65 4.63 -0.49 2.92 1.01 -0.04 0.04 121.20 130.92 3h3x s ILE 109 Ca 0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.43 3h3x s ILE 109 Cb -0.13 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.23 3h3x s ILE 109 CO -0.08 0.35 0.61 0.00 0.00 0.00 0.00 174.94 175.81 3h3x s ILE 111 N 2.61 4.65 0.00 0.00 2.07 -0.63 -0.98 121.20 128.91 3h3x s ILE 111 Ca 0.16 1.17 0.00 0.00 -1.41 0.00 0.00 60.65 60.57 3h3x s ILE 111 Cb -0.18 -4.28 0.00 0.00 0.13 0.00 0.00 42.46 38.13 3h3x s ILE 111 CO 0.13 -0.45 0.00 0.61 -1.91 0.00 0.00 174.94 173.32 3h3x n GLY 112 N 4.33 2.23 0.30 1.50 0.00 0.73 -4.43 105.19 109.86 3h3x n GLY 112 Ca 0.06 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.35 3h3x n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h3x h THR 113 N 0.00 0.95 0.19 2.61 2.02 -1.57 -2.08 112.91 115.02 3h3x h THR 113 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3h3x h THR 113 Cb 0.00 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3h3x h THR 113 CO 0.00 0.03 -0.09 0.00 0.37 0.00 0.00 175.52 175.83 3h3x h SER 115 N -0.47 0.97 -0.22 0.00 4.64 -1.57 0.19 113.55 117.09 3h3x h SER 115 Ca -0.03 -0.53 0.01 0.00 -0.47 0.00 0.00 61.79 60.77 3h3x h SER 115 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3h3x h SER 115 CO 0.04 1.32 0.13 0.00 -0.87 0.00 0.00 176.83 177.45 3h3x h ALA 116 N 0.68 0.27 0.00 5.18 0.00 -1.39 0.79 119.26 124.79 3h3x h ALA 116 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h3x h ALA 116 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h3x h ALA 116 CO 0.12 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 179.76 3h3x n TYR 117 N -4.96 0.00 0.00 0.00 4.01 -0.31 -4.49 117.16 111.42 3h3x n TYR 117 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3h3x n TYR 117 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 3h3x n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h3x n GLY 118 N 0.06 3.12 7.00 2.72 0.00 0.65 -4.20 105.19 114.54 3h3x n GLY 118 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3h3x n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 119 N 0.00 0.84 0.29 -0.02 0.00 -1.19 -3.88 105.19 101.23 3h3x n GLY 119 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.26 3h3x n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h3x h VAL 120 N 0.00 0.96 0.00 1.61 3.04 -1.93 0.06 116.25 119.99 3h3x h VAL 120 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3h3x h VAL 120 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 3h3x h VAL 120 CO 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 3h3x n GLN 121 N -4.72 0.13 0.05 4.17 0.00 -1.26 -2.33 117.38 113.41 3h3x n GLN 121 Ca 0.12 0.40 0.12 0.00 0.00 0.00 0.00 57.00 57.63 3h3x n GLN 121 Cb 0.22 -1.77 0.13 0.00 0.00 0.00 0.00 30.24 28.82 3h3x n GLN 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3h3x n LYS 122 N -2.03 0.28 -1.65 2.61 4.81 -0.00 -4.47 118.16 117.71 3h3x n LYS 122 Ca 0.02 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.10 3h3x n LYS 122 Cb 0.19 -1.65 0.01 0.00 0.02 0.00 0.00 35.03 33.60 3h3x n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h3x n ALA 123 N -1.81 0.63 -1.53 3.14 0.00 -0.99 -4.17 120.51 115.78 3h3x n ALA 123 Ca 0.03 0.27 -0.47 0.00 0.00 0.00 0.00 53.44 53.27 3h3x n ALA 123 Cb 0.43 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 3h3x n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h3x n LYS 124 N 0.21 0.86 -0.78 0.00 5.02 -1.26 -0.16 118.16 122.05 3h3x n LYS 124 Ca 0.08 0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 56.59 3h3x n LYS 124 Cb 0.38 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 33.97 3h3x n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h3x n PRO 125 N 1.13 2.62 -3.81 1.97 -0.04 -1.26 -4.99 135.00 130.61 3h3x n PRO 125 Ca 0.14 -2.17 -0.33 0.00 -0.04 0.00 0.00 63.50 61.10 3h3x n PRO 125 Cb 0.27 -1.92 0.02 0.00 -0.04 0.00 0.00 33.50 31.83 3h3x n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3h3x n ASN 126 N -0.23 -4.96 0.27 3.54 5.15 0.77 -4.87 115.26 114.92 3h3x n ASN 126 Ca 0.34 -1.04 0.10 0.00 -0.60 0.00 0.00 54.58 53.38 3h3x n ASN 126 Cb 1.17 -2.44 0.72 0.00 -0.53 0.00 0.00 39.78 38.70 3h3x n ASN 126 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h3x h PRO 127 N -1.57 0.00 -0.06 1.20 0.13 -1.83 -1.94 132.00 127.93 3h3x h PRO 127 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3h3x h PRO 127 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3h3x h PRO 127 CO 0.45 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.14 3h3x n SER 128 N -4.17 2.23 -3.49 1.44 3.41 -1.26 -4.92 113.62 106.86 3h3x n SER 128 Ca -0.03 -1.75 -0.18 0.00 -0.26 0.00 0.00 58.87 56.65 3h3x n SER 128 Cb 0.13 -0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.14 3h3x n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3x n GLN 129 N 0.74 -6.38 -2.51 4.33 6.02 -0.73 -1.70 117.38 117.14 3h3x n GLN 129 Ca 0.17 0.80 -0.39 0.00 -0.01 0.00 0.00 57.00 57.58 3h3x n GLN 129 Cb 0.47 -5.74 -0.04 0.00 1.02 0.00 0.00 30.24 25.94 3h3x n GLN 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h3x s ALA 130 N -3.41 3.27 0.02 -1.58 0.00 -1.26 -1.87 121.76 116.94 3h3x s ALA 130 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3h3x s ALA 130 Cb -0.02 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3h3x s ALA 130 CO 0.75 -0.17 -0.03 0.15 0.00 0.00 0.00 175.76 176.45 3h3x s LYS 131 N -1.86 0.35 0.95 0.00 1.02 -0.09 -4.71 119.74 115.40 3h3x s LYS 131 Ca 0.50 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 3h3x s LYS 131 Cb -0.28 0.09 0.16 0.00 -0.52 0.00 0.00 37.83 37.28 3h3x s LYS 131 CO 0.35 -0.05 1.11 0.20 -0.92 0.00 0.00 175.35 176.05 3h3x s GLY 132 N -1.59 1.57 0.04 -3.33 0.00 -1.26 -0.60 107.32 102.15 3h3x s GLY 132 Ca -0.14 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.92 3h3x s GLY 132 CO -0.02 0.15 1.50 -2.08 0.00 0.00 0.00 173.10 172.65 3h3x h VAL 133 N -1.69 1.22 -0.07 1.40 2.07 -1.06 -1.90 116.25 116.22 3h3x h VAL 133 Ca -0.53 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3h3x h VAL 133 Cb 1.33 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3h3x h VAL 133 CO 0.60 0.18 0.04 0.77 0.02 0.00 0.00 177.57 179.18 3h3x h SER 134 N -0.16 0.09 -0.58 0.57 4.64 -1.79 0.21 113.55 116.54 3h3x h SER 134 Ca 0.02 -0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3h3x h SER 134 Cb 0.28 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.27 3h3x h SER 134 CO 0.00 0.17 0.16 -0.08 -0.87 0.00 0.00 176.83 176.21 3h3x h GLU 135 N 0.01 0.30 0.19 4.77 4.22 -1.85 1.07 114.58 123.29 3h3x h GLU 135 Ca 0.03 -0.02 -0.26 0.00 0.08 0.00 0.00 59.36 59.19 3h3x h GLU 135 Cb 0.10 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.31 3h3x h GLU 135 CO -0.00 0.20 -1.12 0.00 -2.18 0.00 0.00 179.01 175.91 3h3x h ALA 136 N 1.43 -0.12 0.00 2.92 0.00 -1.01 -3.35 119.26 119.13 3h3x h ALA 136 Ca 0.30 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3h3x h ALA 136 Cb 0.40 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h3x h ALA 136 CO -0.35 0.52 -0.79 1.28 0.00 0.00 0.00 179.25 179.91 3h3x n LEU 137 N -3.94 0.64 -1.25 0.00 4.77 0.72 -4.98 117.00 112.96 3h3x n LEU 137 Ca -0.15 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 3h3x n LEU 137 Cb 0.95 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.91 3h3x n LEU 137 CO 0.54 0.09 0.05 0.61 -1.33 0.00 0.00 177.39 177.36 3h3x n GLY 138 N 1.43 0.51 2.94 -0.72 0.00 0.37 -5.00 105.19 104.71 3h3x n GLY 138 Ca 0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 3h3x n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s VAL 139 N -3.00 0.04 0.15 1.61 0.11 -1.05 -5.04 120.40 113.23 3h3x s VAL 139 Ca 0.14 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 3h3x s VAL 139 Cb -0.06 -0.14 -0.07 0.00 -1.53 0.00 0.00 36.38 34.57 3h3x s VAL 139 CO 0.17 -0.20 1.18 -0.75 -3.33 0.00 0.00 175.10 172.18 3h3x s LYS 140 N -0.59 4.49 0.08 1.54 2.20 -1.26 -4.25 119.74 121.95 3h3x s LYS 140 Ca -0.06 1.82 0.05 0.00 -0.36 0.00 0.00 55.97 57.41 3h3x s LYS 140 Cb -0.04 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3h3x s LYS 140 CO -0.00 -0.11 -0.14 0.95 -0.36 0.00 0.00 175.35 175.69 3h3x s THR 141 N 0.25 1.10 -0.30 3.43 -4.23 -1.26 -4.65 115.64 109.98 3h3x s THR 141 Ca 0.54 -1.37 -0.22 0.00 -1.18 0.00 0.00 61.69 59.46 3h3x s THR 141 Cb -0.31 -1.13 -0.00 0.00 1.34 0.00 0.00 72.50 72.39 3h3x s THR 141 CO 0.34 -0.28 0.72 -0.63 -0.54 0.00 0.00 174.62 174.23 3h3x s ILE 142 N -1.47 4.86 -0.19 2.99 1.01 0.11 -4.83 121.20 123.68 3h3x s ILE 142 Ca -0.00 1.05 -0.13 0.00 0.00 0.00 0.00 60.65 61.56 3h3x s ILE 142 Cb -0.09 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3h3x s ILE 142 CO 0.02 -0.19 0.25 0.20 0.00 0.00 0.00 174.94 175.22 3h3x s ASN 143 N 1.62 6.33 -0.65 3.58 0.01 0.21 -0.16 114.94 125.88 3h3x s ASN 143 Ca 0.29 0.38 0.06 0.00 -0.71 0.00 0.00 52.86 52.88 3h3x s ASN 143 Cb -0.14 -2.16 0.21 0.00 0.41 0.00 0.00 41.25 39.57 3h3x s ASN 143 CO 0.12 0.08 0.62 -0.38 -1.51 0.00 0.00 177.10 176.03 3h3x n ILE 144 N 3.82 1.83 -2.23 0.60 2.08 -0.15 -4.00 119.36 121.31 3h3x n ILE 144 Ca -0.13 -4.97 -0.27 0.00 0.56 0.00 0.00 62.75 57.94 3h3x n ILE 144 Cb 0.52 -2.12 0.17 0.00 -0.75 0.00 0.00 39.64 37.46 3h3x n ILE 144 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h3x s PRO 145 N -1.93 0.86 0.00 0.38 0.04 -1.26 -0.19 135.00 132.89 3h3x s PRO 145 Ca 0.33 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.54 3h3x s PRO 145 Cb 0.07 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3h3x s PRO 145 CO -0.09 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.21 3h3x n GLY 146 N -3.45 3.18 2.34 0.56 0.00 -1.23 -4.19 105.19 102.40 3h3x n GLY 146 Ca 0.17 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 3h3x n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x s PRO 148 N -0.56 2.72 0.64 0.00 0.04 -1.26 -5.06 135.00 131.52 3h3x s PRO 148 Ca 0.34 -0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.17 3h3x s PRO 148 Cb 0.09 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3h3x s PRO 148 CO -0.16 -0.87 1.13 -1.25 0.04 0.00 0.00 177.00 175.89 3h3x s PRO 149 N -5.08 2.83 0.27 0.56 0.04 -1.19 -4.98 135.00 127.44 3h3x s PRO 149 Ca 0.56 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 3h3x s PRO 149 Cb -0.11 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3h3x s PRO 149 CO 0.45 -1.25 1.63 -1.71 0.04 0.00 0.00 177.00 176.16 3h3x n ASN 150 N -2.22 3.85 -0.21 6.66 2.85 -1.26 -4.82 115.26 120.11 3h3x n ASN 150 Ca 0.11 1.12 0.19 0.00 -0.11 0.00 0.00 54.58 55.90 3h3x n ASN 150 Cb 0.51 -1.58 0.54 0.00 1.24 0.00 0.00 39.78 40.49 3h3x n ASN 150 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3h3x h PRO 151 N 5.31 0.34 -0.82 1.20 0.13 -1.91 0.12 132.00 136.36 3h3x h PRO 151 Ca -0.46 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 3h3x h PRO 151 Cb 1.22 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3h3x h PRO 151 CO 0.84 0.23 0.47 0.82 -0.23 0.00 0.00 178.00 180.12 3h3x h ILE 152 N 0.35 0.91 -0.14 -3.56 2.04 -1.92 0.06 117.51 115.25 3h3x h ILE 152 Ca 0.44 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.86 3h3x h ILE 152 Cb 1.16 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3h3x h ILE 152 CO -0.14 0.14 -0.62 0.78 0.00 0.00 0.00 178.15 178.31 3h3x h ASN 153 N 0.79 0.57 0.16 1.72 2.35 -1.14 -1.71 115.58 118.33 3h3x h ASN 153 Ca 0.40 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3h3x h ASN 153 Cb 0.36 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3h3x h ASN 153 CO -0.25 1.05 -0.08 0.15 -1.65 0.00 0.00 177.43 176.65 3h3x h PHE 154 N 0.37 -0.20 -0.67 1.19 3.57 -1.04 -2.49 116.94 117.67 3h3x h PHE 154 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3h3x h PHE 154 Cb 1.17 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 3h3x h PHE 154 CO 0.05 0.07 0.44 0.28 -2.23 0.00 0.00 178.31 176.92 3h3x h VAL 155 N -1.01 1.14 -0.32 1.41 2.07 -1.13 -1.33 116.25 117.08 3h3x h VAL 155 Ca -0.02 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3h3x h VAL 155 Cb 0.37 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3h3x h VAL 155 CO 0.04 0.16 0.19 1.23 0.02 0.00 0.00 177.57 179.20 3h3x h GLY 156 N 0.87 0.44 0.96 2.17 0.00 -1.38 -0.07 103.07 106.06 3h3x h GLY 156 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3h3x h GLY 156 CO -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 176.54 176.54 3h3x h ALA 157 N 1.15 -0.18 -0.10 3.60 0.00 -0.88 -1.00 119.26 121.84 3h3x h ALA 157 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h3x h ALA 157 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h3x h ALA 157 CO -0.06 -0.58 -0.03 0.28 0.00 0.00 0.00 179.25 178.86 3h3x h VAL 158 N -0.23 0.89 -0.57 0.00 2.07 -1.00 0.14 116.25 117.56 3h3x h VAL 158 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3h3x h VAL 158 Cb 0.18 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3h3x h VAL 158 CO 0.03 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.54 3h3x h VAL 159 N -0.01 1.17 -0.19 2.57 2.07 -0.99 -1.06 116.25 119.82 3h3x h VAL 159 Ca 0.05 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3h3x h VAL 159 Cb 0.08 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3h3x h VAL 159 CO -0.11 0.17 -0.07 -0.74 0.02 0.00 0.00 177.57 176.84 3h3x h HIS 160 N 0.76 -0.17 -0.47 1.57 6.17 -0.61 -0.54 115.15 121.86 3h3x h HIS 160 Ca 0.20 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.32 3h3x h HIS 160 Cb -0.02 0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.99 3h3x h HIS 160 CO -0.02 -0.12 0.30 0.28 0.71 0.00 0.00 177.93 179.07 3h3x h VAL 161 N -0.04 1.09 -0.06 5.26 2.07 -0.36 0.42 116.25 124.63 3h3x h VAL 161 Ca 0.10 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3h3x h VAL 161 Cb 0.19 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3h3x h VAL 161 CO -0.22 0.11 -0.41 -0.07 0.02 0.00 0.00 177.57 176.99 3h3x h LEU 162 N 0.60 0.13 0.00 2.57 3.38 -0.98 -3.28 115.31 117.72 3h3x h LEU 162 Ca 0.18 -0.05 -0.38 0.00 0.09 0.00 0.00 57.88 57.72 3h3x h LEU 162 Cb -0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3h3x h LEU 162 CO -0.06 0.53 -2.25 0.35 0.09 0.00 0.00 178.44 177.11 3h3x n THR 163 N -4.03 1.22 -0.10 0.22 -2.24 -0.23 -4.85 114.28 104.28 3h3x n THR 163 Ca -0.02 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 3h3x n THR 163 Cb 0.46 -1.80 -0.12 0.00 -2.10 0.00 0.00 70.33 66.77 3h3x n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h3x n LYS 164 N -3.99 0.65 0.00 -0.78 5.02 0.13 -5.08 118.16 114.12 3h3x n LYS 164 Ca -0.44 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3h3x n LYS 164 Cb 0.81 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3h3x n LYS 164 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 165 N 1.85 0.86 3.66 0.72 0.00 -0.40 -5.01 105.19 106.86 3h3x n GLY 165 Ca -0.43 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.17 3h3x n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3x s ILE 166 N -1.53 4.63 0.62 -0.61 1.01 -1.26 -3.35 121.20 120.70 3h3x s ILE 166 Ca 0.00 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.45 3h3x s ILE 166 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3h3x s ILE 166 CO 0.00 -0.16 1.12 -2.16 0.00 0.00 0.00 174.94 173.73 3h3x s PRO 167 N 3.17 3.01 -0.08 2.79 0.04 -1.26 -4.93 135.00 137.74 3h3x s PRO 167 Ca 0.46 1.46 -0.37 0.00 0.04 0.00 0.00 61.00 62.59 3h3x s PRO 167 Cb -0.16 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 3h3x s PRO 167 CO 0.08 -1.10 1.65 -0.25 0.04 0.00 0.00 177.00 177.42 3h3x n ASP 168 N -2.02 2.54 -4.67 6.66 8.00 -1.26 -4.89 116.55 120.91 3h3x n ASP 168 Ca 0.11 1.06 -0.27 0.00 0.71 0.00 0.00 54.79 56.41 3h3x n ASP 168 Cb 0.52 -1.25 -0.08 0.00 -0.02 0.00 0.00 41.12 40.29 3h3x n ASP 168 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h3x s LEU 169 N 2.51 3.33 0.00 0.64 1.43 -1.26 -1.00 118.68 124.33 3h3x s LEU 169 Ca 0.91 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 3h3x s LEU 169 Cb -0.90 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 43.42 3h3x s LEU 169 CO 0.54 0.09 0.50 -0.90 0.23 0.00 0.00 176.35 176.81 3h3x n ASP 170 N -0.12 0.34 -0.11 2.29 5.68 0.52 -4.84 116.55 120.31 3h3x n ASP 170 Ca -0.10 -1.37 0.23 0.00 -0.50 0.00 0.00 54.79 53.05 3h3x n ASP 170 Cb 0.55 -0.36 0.66 0.00 -1.14 0.00 0.00 41.12 40.84 3h3x n ASP 170 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3h3x h GLU 171 N 0.00 0.09 -0.63 0.11 4.11 -2.01 -1.38 114.58 114.87 3h3x h GLU 171 Ca -0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.26 3h3x h GLU 171 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3h3x h GLU 171 CO 0.14 0.06 0.00 0.09 0.07 0.00 0.00 179.01 179.38 3h3x n ASN 172 N -4.37 4.01 -0.14 3.06 5.03 -1.26 -4.92 115.26 116.67 3h3x n ASN 172 Ca 0.15 -2.41 -0.02 0.00 0.87 0.00 0.00 54.58 53.16 3h3x n ASN 172 Cb 0.74 -0.53 -0.01 0.00 -1.02 0.00 0.00 39.78 38.95 3h3x n ASN 172 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h3x n GLY 173 N 0.89 0.54 3.78 7.41 0.00 -0.52 -4.73 105.19 112.56 3h3x n GLY 173 Ca 0.21 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3h3x n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x s ARG 174 N -1.31 4.12 0.09 1.61 0.52 -1.26 -0.62 118.95 122.10 3h3x s ARG 174 Ca 0.00 0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 55.26 3h3x s ARG 174 Cb 0.00 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.04 3h3x s ARG 174 CO 0.00 0.42 1.86 -2.14 0.02 0.00 0.00 175.30 175.47 3h3x s PRO 175 N -0.19 4.14 0.63 3.54 0.02 -1.26 -0.35 135.00 141.53 3h3x s PRO 175 Ca 0.23 2.58 0.36 0.00 0.02 0.00 0.00 61.00 64.19 3h3x s PRO 175 Cb -0.15 -3.79 2.07 0.00 0.02 0.00 0.00 34.50 32.65 3h3x s PRO 175 CO 0.10 -0.88 2.28 0.87 -0.33 0.00 0.00 177.00 179.04 3h3x h LYS 176 N 9.28 0.00 -0.82 5.54 1.57 -1.40 -1.20 116.57 129.54 3h3x h LYS 176 Ca -0.47 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.49 3h3x h LYS 176 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 3h3x h LYS 176 CO 0.95 0.00 0.55 -0.07 -0.57 0.00 0.00 179.45 180.31 3h3x h LEU 177 N 0.00 0.35 0.00 2.94 3.38 -1.90 -2.40 115.31 117.68 3h3x h LEU 177 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h3x h LEU 177 Cb 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h3x h LEU 177 CO -0.00 0.16 -1.00 0.49 0.09 0.00 0.00 178.44 178.18 3h3x n PHE 178 N -4.47 0.00 -0.55 1.13 3.72 -0.87 -4.77 117.46 111.64 3h3x n PHE 178 Ca 0.17 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.62 3h3x n PHE 178 Cb 0.64 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.28 3h3x n PHE 178 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3h3x n TYR 179 N -1.63 0.13 0.40 1.38 4.01 -0.51 -3.55 117.16 117.39 3h3x n TYR 179 Ca 0.00 -0.74 0.13 0.00 -0.16 0.00 0.00 57.90 57.13 3h3x n TYR 179 Cb 0.14 -0.11 0.46 0.00 -0.31 0.00 0.00 39.34 39.52 3h3x n TYR 179 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3h3x h GLY 180 N 0.36 0.00 -4.77 2.72 0.00 -1.62 -3.42 103.07 96.34 3h3x h GLY 180 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3h3x h GLY 180 CO 0.02 0.00 -0.80 -0.54 0.00 0.00 0.00 176.54 175.22 3h3x s GLU 181 N -3.32 1.04 0.51 4.80 2.02 -1.26 -5.06 118.70 117.42 3h3x s GLU 181 Ca 0.06 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.11 3h3x s GLU 181 Cb 0.09 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.21 3h3x s GLU 181 CO 0.52 0.27 1.20 -0.51 0.02 0.00 0.00 175.26 176.76 3h3x s LEU 182 N -0.95 3.90 0.12 1.80 1.43 -1.26 -2.29 118.68 121.42 3h3x s LEU 182 Ca 0.03 2.38 -0.20 0.00 -1.03 0.00 0.00 54.13 55.32 3h3x s LEU 182 Cb -0.07 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3h3x s LEU 182 CO 0.01 -1.17 1.76 0.58 0.23 0.00 0.00 176.35 177.75 3h3x h VAL 183 N 1.56 1.00 -0.69 -1.59 2.07 -0.85 -2.87 116.25 114.87 3h3x h VAL 183 Ca -0.50 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.09 3h3x h VAL 183 Cb 1.27 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 3h3x h VAL 183 CO 0.58 0.04 0.20 -0.74 0.02 0.00 0.00 177.57 177.67 3h3x h HIS 184 N 0.20 0.33 -0.00 1.57 6.17 -1.74 -2.02 115.15 119.66 3h3x h HIS 184 Ca 0.08 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.19 3h3x h HIS 184 Cb 0.02 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 29.91 3h3x h HIS 184 CO -0.09 -0.02 0.01 -0.44 0.71 0.00 0.00 177.93 178.10 3h3x h ASP 185 N 0.32 0.00 -0.37 3.26 3.32 -1.81 -2.18 116.42 118.96 3h3x h ASP 185 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3h3x h ASP 185 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3h3x h ASP 185 CO -0.44 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.67 3h3x n ASN 186 N -3.28 3.17 -4.68 6.45 3.02 -0.78 -5.02 115.26 114.14 3h3x n ASN 186 Ca -0.03 -2.14 -0.42 0.00 -0.03 0.00 0.00 54.58 51.96 3h3x n ASN 186 Cb 0.08 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3h3x n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3x n PRO 188 N 5.47 0.10 0.00 0.00 -0.02 -1.26 -1.48 135.00 137.81 3h3x n PRO 188 Ca 0.12 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 3h3x n PRO 188 Cb 0.45 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 3h3x n PRO 188 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h3x n ARG 189 N -1.31 1.76 -0.30 -0.52 1.74 -1.26 -4.48 116.66 112.30 3h3x n ARG 189 Ca 0.03 -1.27 0.10 0.00 -0.77 0.00 0.00 57.85 55.93 3h3x n ARG 189 Cb 0.06 -1.47 0.26 0.00 -1.02 0.00 0.00 32.46 30.29 3h3x n ARG 189 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h3x h LEU 190 N 3.11 0.44 -1.54 0.55 5.85 -1.57 0.38 115.31 122.53 3h3x h LEU 190 Ca 0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3h3x h LEU 190 Cb 0.72 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3h3x h LEU 190 CO 0.00 0.13 0.33 -0.65 -0.34 0.00 0.00 178.44 177.90 3h3x h PRO 191 N 0.53 0.60 -0.28 5.25 0.11 -1.83 0.70 132.00 137.07 3h3x h PRO 191 Ca 0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 3h3x h PRO 191 Cb 0.82 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3h3x h PRO 191 CO -0.43 0.40 0.02 0.45 -0.21 0.00 0.00 178.00 178.22 3h3x h HIS 192 N 0.62 0.52 -0.54 0.65 3.86 -1.26 -1.87 115.15 117.13 3h3x h HIS 192 Ca 0.19 -0.08 0.11 0.00 -1.16 0.00 0.00 60.37 59.42 3h3x h HIS 192 Cb 0.00 -0.14 -0.11 0.00 1.06 0.00 0.00 27.41 28.23 3h3x h HIS 192 CO -0.00 0.61 -0.19 0.35 0.86 0.00 0.00 177.93 179.57 3h3x h PHE 193 N 0.28 -0.45 0.00 2.45 3.57 -0.86 0.06 116.94 122.00 3h3x h PHE 193 Ca 0.08 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3h3x h PHE 193 Cb 0.39 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3h3x h PHE 193 CO 0.03 -0.28 -0.20 0.93 -2.23 0.00 0.00 178.31 176.56 3h3x h GLU 194 N -0.06 0.00 -0.01 1.11 5.08 -0.75 -2.07 114.58 117.88 3h3x h GLU 194 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3h3x h GLU 194 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h3x h GLU 194 CO -0.59 0.20 -0.04 0.00 -1.00 0.00 0.00 179.01 177.59 3h3x n ALA 195 N -2.42 2.65 -3.46 3.43 0.00 -0.72 -4.94 120.51 115.06 3h3x n ALA 195 Ca -0.02 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 3h3x n ALA 195 Cb 0.28 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.63 3h3x n ALA 195 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h3x n SER 196 N 0.03 -6.11 -4.24 0.00 7.64 -0.67 -4.98 113.62 105.30 3h3x n SER 196 Ca 0.18 -0.48 -0.42 0.00 1.01 0.00 0.00 58.87 59.16 3h3x n SER 196 Cb 0.35 -4.75 -0.07 0.00 -1.01 0.00 0.00 64.21 58.73 3h3x n SER 196 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3h3x s GLU 197 N -6.16 2.75 0.03 1.43 2.02 -0.08 -5.03 118.70 113.66 3h3x s GLU 197 Ca 0.52 -1.94 0.07 0.00 0.02 0.00 0.00 54.97 53.65 3h3x s GLU 197 Cb -0.23 -4.06 -0.03 0.00 0.10 0.00 0.00 34.13 29.92 3h3x s GLU 197 CO 0.64 -1.23 -0.21 -0.06 0.02 0.00 0.00 175.26 174.42 3h3x s PHE 198 N 1.08 2.48 0.01 1.61 0.08 -1.26 -2.34 117.98 119.64 3h3x s PHE 198 Ca 0.08 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 3h3x s PHE 198 Cb -0.24 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3h3x s PHE 198 CO -0.01 0.18 1.15 0.00 -0.10 0.00 0.00 175.22 176.43 3h3x s ALA 199 N -0.83 3.37 -0.39 5.36 0.00 -0.72 -4.88 121.76 123.67 3h3x s ALA 199 Ca 0.13 0.71 0.23 0.00 0.00 0.00 0.00 51.96 53.03 3h3x s ALA 199 Cb -0.10 -3.44 0.25 0.00 0.00 0.00 0.00 23.12 19.82 3h3x s ALA 199 CO 0.03 -0.49 1.43 -1.00 0.00 0.00 0.00 175.76 175.73 3h3x h PRO 200 N 6.98 0.00 -3.08 0.00 0.13 -1.95 -3.39 132.00 130.70 3h3x h PRO 200 Ca -0.39 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3h3x h PRO 200 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 3h3x h PRO 200 CO 0.82 0.00 0.18 -1.54 -0.23 0.00 0.00 178.00 177.23 3h3x s SER 201 N -5.82 -0.33 0.50 1.44 1.04 -1.26 -4.93 113.70 104.34 3h3x s SER 201 Ca 0.05 -0.45 0.29 0.00 0.48 0.00 0.00 55.95 56.33 3h3x s SER 201 Cb 0.07 0.67 1.05 0.00 0.10 0.00 0.00 66.02 67.90 3h3x s SER 201 CO 0.71 -1.19 1.87 -0.26 0.98 0.00 0.00 173.24 175.34 3h3x h PHE 202 N 2.04 0.00 -0.00 5.02 0.04 -1.98 -2.98 116.94 119.08 3h3x h PHE 202 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3h3x h PHE 202 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3h3x h PHE 202 CO 0.36 0.05 -0.60 -0.40 -0.60 0.00 0.00 178.31 177.12 3h3x n ASP 203 N -3.14 0.87 -4.72 2.17 5.75 -1.26 -4.73 116.55 111.49 3h3x n ASP 203 Ca 0.01 -0.69 -0.33 0.00 -0.01 0.00 0.00 54.79 53.78 3h3x n ASP 203 Cb 0.38 0.47 0.11 0.00 -1.03 0.00 0.00 41.12 41.05 3h3x n ASP 203 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3h3x s SER 204 N -2.87 3.96 0.43 -1.12 1.04 -1.13 -4.90 113.70 109.11 3h3x s SER 204 Ca 0.13 2.24 0.09 0.00 0.48 0.00 0.00 55.95 58.89 3h3x s SER 204 Cb 0.17 -2.57 0.94 0.00 0.10 0.00 0.00 66.02 64.66 3h3x s SER 204 CO 0.71 -2.41 2.07 -0.33 0.98 0.00 0.00 173.24 174.25 3h3x h GLU 205 N -0.76 0.40 -0.59 4.02 4.39 -1.93 -2.49 114.58 117.62 3h3x h GLU 205 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3h3x h GLU 205 Cb 1.28 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 3h3x h GLU 205 CO 0.48 0.28 0.37 0.93 -1.16 0.00 0.00 179.01 179.91 3h3x h GLU 206 N 0.41 0.79 -0.65 2.33 3.07 -1.91 -0.30 114.58 118.31 3h3x h GLU 206 Ca 0.11 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3h3x h GLU 206 Cb -0.01 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 3h3x h GLU 206 CO -0.02 0.55 0.40 0.00 -1.40 0.00 0.00 179.01 178.54 3h3x h ALA 207 N 1.19 0.83 -0.13 3.43 0.00 -1.69 -1.33 119.26 121.56 3h3x h ALA 207 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h3x h ALA 207 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3h3x h ALA 207 CO -0.04 0.30 0.01 0.87 0.00 0.00 0.00 179.25 180.38 3h3x h LYS 208 N 0.88 0.19 -0.27 0.00 1.57 -0.94 -0.92 116.57 117.08 3h3x h LYS 208 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3h3x h LYS 208 Cb -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3h3x h LYS 208 CO -0.04 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 3h3x n LYS 209 N -4.43 1.89 -2.53 3.15 5.02 -0.19 -4.91 118.16 116.17 3h3x n LYS 209 Ca -0.01 -1.36 -0.08 0.00 -2.02 0.00 0.00 58.31 54.84 3h3x n LYS 209 Cb 0.15 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3h3x n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 210 N 1.18 0.26 3.79 0.72 0.00 -0.35 -5.03 105.19 105.77 3h3x n GLY 210 Ca 0.16 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3h3x n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3x s PHE 211 N -2.76 2.82 0.31 1.61 0.40 -0.55 -4.92 117.98 114.89 3h3x s PHE 211 Ca 0.11 1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 57.64 3h3x s PHE 211 Cb -0.05 -2.99 -0.12 0.00 0.51 0.00 0.00 43.02 40.37 3h3x s PHE 211 CO 0.13 -1.52 1.39 0.00 0.70 0.00 0.00 175.22 175.92 3h3x n LEU 213 N 1.38 4.28 -0.22 0.00 4.77 -1.26 -1.76 117.00 124.19 3h3x n LEU 213 Ca 0.07 -2.17 -0.06 0.00 -0.03 0.00 0.00 56.01 53.82 3h3x n LEU 213 Cb 0.35 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3h3x n LEU 213 CO 0.63 0.53 1.08 0.22 -1.33 0.00 0.00 177.39 178.52 3h3x h TYR 214 N 2.88 0.84 0.00 -1.77 3.20 -1.89 -1.21 116.97 119.02 3h3x h TYR 214 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3h3x h TYR 214 Cb 1.50 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3h3x h TYR 214 CO 0.75 0.59 0.00 -1.91 -1.64 0.00 0.00 178.16 175.96 3h3x n GLU 215 N -4.58 0.10 -0.91 1.82 2.13 -1.26 -1.71 120.64 116.24 3h3x n GLU 215 Ca 0.04 0.26 0.01 0.00 0.66 0.00 0.00 57.16 58.14 3h3x n GLU 215 Cb 0.07 -1.67 0.34 0.00 0.27 0.00 0.00 31.44 30.46 3h3x n GLU 215 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h3x n LEU 216 N -1.85 5.68 0.00 4.31 4.77 -0.48 -4.73 117.00 124.70 3h3x n LEU 216 Ca 0.04 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 3h3x n LEU 216 Cb 0.25 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3h3x n LEU 216 CO 0.20 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3h3x n GLY 217 N 0.28 0.44 3.71 -0.72 0.00 -0.69 -4.36 105.19 103.85 3h3x n GLY 217 Ca 0.32 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.74 3h3x n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n LYS 219 N 4.82 4.41 -0.13 0.00 4.76 -0.47 -4.52 118.16 127.02 3h3x n LYS 219 Ca 0.27 -3.06 -0.05 0.00 -2.87 0.00 0.00 58.31 52.60 3h3x n LYS 219 Cb 0.09 -2.12 0.01 0.00 -1.84 0.00 0.00 35.03 31.17 3h3x n LYS 219 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3h3x h GLY 220 N 3.91 0.05 2.00 0.72 0.00 -1.89 -2.19 103.07 105.67 3h3x h GLY 220 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3h3x h GLY 220 CO 0.39 -0.21 0.00 -1.05 0.00 0.00 0.00 176.54 175.67 3h3x n PRO 221 N -5.40 0.06 -0.05 4.80 -0.02 -1.26 -2.44 135.00 130.70 3h3x n PRO 221 Ca 0.03 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 3h3x n PRO 221 Cb 0.31 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.14 3h3x n PRO 221 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3h3x n VAL 222 N -1.83 1.24 -4.90 -1.45 0.24 -0.84 -4.92 118.33 105.87 3h3x n VAL 222 Ca -0.00 -1.38 -0.31 0.00 -2.04 0.00 0.00 64.34 60.60 3h3x n VAL 222 Cb 0.03 0.24 -0.17 0.00 -1.47 0.00 0.00 33.84 32.48 3h3x n VAL 222 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h3x s THR 223 N -1.62 1.90 -0.40 3.34 2.01 -1.02 -5.01 115.64 114.84 3h3x s THR 223 Ca 0.13 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 3h3x s THR 223 Cb 0.11 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.96 3h3x s THR 223 CO 0.01 0.52 0.42 -0.31 -0.69 0.00 0.00 174.62 174.58 3h3x s TYR 224 N 0.60 3.18 0.13 4.92 1.51 -1.26 -0.46 117.35 125.96 3h3x s TYR 224 Ca -0.13 -0.25 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 3h3x s TYR 224 Cb -0.17 -2.84 0.07 0.00 -0.11 0.00 0.00 41.96 38.91 3h3x s TYR 224 CO 0.04 -0.62 0.99 1.21 -1.11 0.00 0.00 175.55 176.05 3h3x s ASN 225 N 1.79 -0.18 -0.06 2.29 3.84 -0.97 -4.83 114.94 116.83 3h3x s ASN 225 Ca 0.12 -0.35 0.10 0.00 0.21 0.00 0.00 52.86 52.94 3h3x s ASN 225 Cb -0.17 0.45 0.27 0.00 -0.55 0.00 0.00 41.25 41.25 3h3x s ASN 225 CO 0.13 -0.82 1.21 -0.46 -2.79 0.00 0.00 177.10 174.37 3h3x n ASN 226 N -0.46 2.81 -0.37 -4.21 6.94 -1.23 -3.90 115.26 114.84 3h3x n ASN 226 Ca -0.06 -2.37 -0.06 0.00 -0.02 0.00 0.00 54.58 52.07 3h3x n ASN 226 Cb 0.61 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 3h3x n ASN 226 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h3x h PRO 228 N 0.00 0.00 -0.12 0.00 0.13 -1.88 0.33 132.00 130.45 3h3x h PRO 228 Ca 0.23 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.21 3h3x h PRO 228 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.59 3h3x h PRO 228 CO -0.88 0.14 -0.48 -0.22 -0.23 0.00 0.00 178.00 176.32 3h3x h LYS 229 N 0.00 0.54 0.00 0.86 1.63 -1.24 -3.38 116.57 114.98 3h3x h LYS 229 Ca -0.00 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3h3x h LYS 229 Cb 0.75 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3h3x h LYS 229 CO 0.02 1.05 -0.99 1.33 -3.45 0.00 0.00 179.45 177.40 3h3x n VAL 230 N -4.23 0.00 -1.17 2.00 0.24 -0.71 -5.11 118.33 109.34 3h3x n VAL 230 Ca -0.08 -0.25 0.14 0.00 -2.04 0.00 0.00 64.34 62.11 3h3x n VAL 230 Cb 0.59 0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 3h3x n VAL 230 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h3x n LEU 231 N -1.56 -0.62 -4.56 1.34 4.77 0.11 -4.72 117.00 111.76 3h3x n LEU 231 Ca 0.00 1.41 -0.34 0.00 -0.03 0.00 0.00 56.01 57.06 3h3x n LEU 231 Cb 0.23 -3.76 -0.12 0.00 -2.33 0.00 0.00 43.42 37.44 3h3x n LEU 231 CO 0.22 -2.29 -0.39 -0.36 -1.33 0.00 0.00 177.39 173.25 3h3x s PHE 232 N -3.02 2.89 -1.94 -1.77 0.08 0.67 -4.59 117.98 110.30 3h3x s PHE 232 Ca 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.04 3h3x s PHE 232 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3h3x s PHE 232 CO 0.00 0.31 0.00 0.09 -0.10 0.00 0.00 175.22 175.52 3h3x n ASN 233 N 2.21 -5.09 -1.68 1.36 4.13 -1.26 -1.44 115.26 113.48 3h3x n ASN 233 Ca -0.18 0.38 -0.21 0.00 1.68 0.00 0.00 54.58 56.26 3h3x n ASN 233 Cb 0.53 -4.48 -0.08 0.00 -1.54 0.00 0.00 39.78 34.21 3h3x n ASN 233 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h3x n GLN 234 N -2.40 -1.48 0.00 3.52 3.00 -1.26 -4.82 117.38 113.94 3h3x n GLN 234 Ca -0.20 1.22 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 3h3x n GLN 234 Cb 0.63 -5.63 0.00 0.00 0.00 0.00 0.00 30.24 25.24 3h3x n GLN 234 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3h3x n VAL 235 N -2.54 0.00 -3.66 5.09 0.24 -0.52 -5.08 118.33 111.85 3h3x n VAL 235 Ca -0.21 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 3h3x n VAL 235 Cb 0.69 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 3h3x n VAL 235 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3h3x s ASN 236 N -0.61 -0.38 0.18 -1.34 3.84 -1.04 -4.98 114.94 110.62 3h3x s ASN 236 Ca 0.00 -0.32 -0.12 0.00 0.21 0.00 0.00 52.86 52.62 3h3x s ASN 236 Cb 0.00 0.64 0.01 0.00 -0.55 0.00 0.00 41.25 41.34 3h3x s ASN 236 CO 0.00 -1.12 0.38 -1.66 -2.79 0.00 0.00 177.10 171.91 3h3x s TRP 237 N -3.75 0.19 0.22 0.43 1.48 -1.26 -0.24 118.94 116.01 3h3x s TRP 237 Ca 0.07 -0.54 -0.08 0.00 -1.06 0.00 0.00 56.10 54.48 3h3x s TRP 237 Cb -0.03 0.13 0.32 0.00 -1.16 0.00 0.00 33.47 32.73 3h3x s TRP 237 CO -0.02 -0.81 1.74 -1.35 -4.06 0.00 0.00 176.95 172.45 3h3x h PRO 238 N 2.40 0.39 -0.25 3.25 0.11 -1.95 -1.18 132.00 134.77 3h3x h PRO 238 Ca -0.30 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 3h3x h PRO 238 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h3x h PRO 238 CO 0.44 0.26 -0.26 0.28 -0.21 0.00 0.00 178.00 178.50 3h3x h VAL 239 N 0.40 1.27 -0.35 3.15 2.07 -1.84 -0.16 116.25 120.78 3h3x h VAL 239 Ca 0.33 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 3h3x h VAL 239 Cb 0.44 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3h3x h VAL 239 CO -0.34 0.41 0.00 -0.61 0.02 0.00 0.00 177.57 177.05 3h3x h GLN 240 N 0.42 0.54 -0.85 1.57 4.15 -1.69 0.20 115.11 119.46 3h3x h GLN 240 Ca 0.06 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3h3x h GLN 240 Cb 0.68 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3h3x h GLN 240 CO 0.05 0.57 0.00 0.00 -1.93 0.00 0.00 178.83 177.52 3h3x n ALA 241 N -2.48 2.77 -0.77 3.38 0.00 -0.34 -4.88 120.51 118.19 3h3x n ALA 241 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3h3x n ALA 241 Cb 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3h3x n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3x n GLY 242 N 0.18 0.87 3.51 0.00 0.00 0.06 -5.03 105.19 104.78 3h3x n GLY 242 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3h3x n GLY 242 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3x s HIS 243 N -3.46 2.86 0.63 1.61 5.04 -0.22 -4.96 115.29 116.79 3h3x s HIS 243 Ca 0.00 -0.19 -0.18 0.00 -1.54 0.00 0.00 55.06 53.16 3h3x s HIS 243 Cb 0.00 -1.75 -0.04 0.00 0.04 0.00 0.00 32.58 30.84 3h3x s HIS 243 CO 0.00 0.15 0.94 -0.35 -2.34 0.00 0.00 174.74 173.14 3h3x n PRO 244 N 2.65 0.80 -2.08 2.88 -0.04 -1.26 -2.82 135.00 135.12 3h3x n PRO 244 Ca -0.18 0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 3h3x n PRO 244 Cb 0.53 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 3h3x n PRO 244 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3x n LEU 246 N 0.62 0.88 -1.66 0.00 4.77 -1.26 -1.37 117.00 118.98 3h3x n LEU 246 Ca 0.01 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 3h3x n LEU 246 Cb 0.42 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3h3x n LEU 246 CO 0.59 0.18 -0.05 0.61 -1.33 0.00 0.00 177.39 177.39 3h3x n GLY 247 N 1.43 -0.04 0.23 -0.72 0.00 -1.26 -4.81 105.19 100.03 3h3x n GLY 247 Ca 0.08 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.96 3h3x n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n SER 249 N -2.70 1.50 -4.87 0.00 3.41 -1.26 -3.57 113.62 106.13 3h3x n SER 249 Ca -0.01 -1.61 -0.35 0.00 -0.26 0.00 0.00 58.87 56.65 3h3x n SER 249 Cb 0.16 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3h3x n SER 249 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3h3x s GLU 250 N -1.88 3.76 0.26 4.33 0.41 -0.49 -4.46 118.70 120.64 3h3x s GLU 250 Ca 0.35 0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.78 3h3x s GLU 250 Cb 0.19 -3.00 -0.11 0.00 -1.78 0.00 0.00 34.13 29.43 3h3x s GLU 250 CO 0.29 0.56 1.51 -2.14 -0.49 0.00 0.00 175.26 174.99 3h3x s PRO 251 N -1.91 4.21 -1.54 0.39 0.02 -1.26 -2.39 135.00 132.52 3h3x s PRO 251 Ca 0.33 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 3h3x s PRO 251 Cb -0.14 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3h3x s PRO 251 CO 0.18 -0.51 0.07 -0.25 -0.33 0.00 0.00 177.00 176.16 3h3x n ASP 252 N 2.32 -5.28 -0.11 2.53 8.00 -1.26 -4.87 116.55 117.87 3h3x n ASP 252 Ca 0.08 0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.67 3h3x n ASP 252 Cb 0.39 -4.41 0.43 0.00 -0.02 0.00 0.00 41.12 37.51 3h3x n ASP 252 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3h3x h PHE 253 N -0.16 0.58 -0.62 1.24 -0.00 -1.77 -1.35 116.94 114.86 3h3x h PHE 253 Ca -0.44 0.02 0.18 0.00 -0.00 0.00 0.00 57.97 57.73 3h3x h PHE 253 Cb 1.32 -0.19 -0.02 0.00 -0.00 0.00 0.00 35.95 37.05 3h3x h PHE 253 CO 0.60 0.30 0.57 -1.49 -0.00 0.00 0.00 178.31 178.30 3h3x h TRP 254 N 0.57 0.00 0.00 6.09 4.06 -1.89 0.46 115.95 125.24 3h3x h TRP 254 Ca 0.27 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.17 3h3x h TRP 254 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 3h3x h TRP 254 CO -0.00 0.00 -1.63 -0.25 -3.56 0.00 0.00 178.44 173.00 3h3x n ASP 255 N -3.85 2.11 -0.05 -3.49 8.00 -0.58 -4.35 116.55 114.34 3h3x n ASP 255 Ca 0.12 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.64 3h3x n ASP 255 Cb 0.81 1.39 -0.17 0.00 -0.02 0.00 0.00 41.12 43.13 3h3x n ASP 255 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3h3x n THR 256 N -2.06 0.59 0.60 -3.53 -2.24 -0.55 -4.30 114.28 102.80 3h3x n THR 256 Ca -0.06 -0.65 0.10 0.00 -2.27 0.00 0.00 64.05 61.17 3h3x n THR 256 Cb 0.46 -0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.62 3h3x n THR 256 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h3x n MET 257 N -2.47 2.03 -3.81 -0.78 2.81 0.15 -4.96 117.12 110.10 3h3x n MET 257 Ca -0.16 -1.89 -0.32 0.00 -1.81 0.00 0.00 57.70 53.52 3h3x n MET 257 Cb 0.82 -1.41 -0.05 0.00 -0.71 0.00 0.00 33.22 31.87 3h3x n MET 257 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3h3x s THR 258 N -1.55 5.30 0.27 2.03 -4.23 -1.25 -3.71 115.64 112.50 3h3x s THR 258 Ca 0.28 -0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 3h3x s THR 258 Cb 0.18 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 3h3x s THR 258 CO 0.26 0.16 1.42 -2.84 -0.54 0.00 0.00 174.62 173.08 3h3x s PRO 259 N -2.38 4.27 0.51 3.99 0.02 -1.26 -4.98 135.00 135.17 3h3x s PRO 259 Ca 0.35 2.31 0.25 0.00 0.02 0.00 0.00 61.00 63.93 3h3x s PRO 259 Cb -0.13 -3.09 1.40 0.00 0.02 0.00 0.00 34.50 32.70 3h3x s PRO 259 CO 0.24 -0.39 2.07 0.74 -0.33 0.00 0.00 177.00 179.33 3h3x h PHE 260 N 4.60 0.00 -0.68 6.54 0.04 -1.93 -2.75 116.94 122.75 3h3x h PHE 260 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3h3x h PHE 260 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3h3x h PHE 260 CO 0.59 0.12 0.00 0.66 -0.60 0.00 0.00 178.31 179.08 3h3x n TYR 261 N -3.80 0.99 -4.26 -0.55 4.01 -1.26 -4.38 117.16 107.91 3h3x n TYR 261 Ca -0.02 -0.47 -0.21 0.00 -0.16 0.00 0.00 57.90 57.04 3h3x n TYR 261 Cb 0.22 -0.03 -0.12 0.00 -0.31 0.00 0.00 39.34 39.11 3h3x n TYR 261 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3h3x s GLU 262 N -1.18 1.07 0.00 -0.72 2.02 -1.04 -3.68 118.70 115.16 3h3x s GLU 262 Ca 0.46 -1.19 0.29 0.00 0.02 0.00 0.00 54.97 54.55 3h3x s GLU 262 Cb 0.25 -1.14 1.46 0.00 0.10 0.00 0.00 34.13 34.80 3h3x s GLU 262 CO 0.30 0.24 2.01 1.04 0.02 0.00 0.00 175.26 178.87 3h3x n GLN 263 N 0.81 0.39 0.00 1.61 1.13 -1.26 -4.49 117.38 115.57 3h3x n GLN 263 Ca -0.17 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 3h3x n GLN 263 Cb 0.55 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.40 3h3x n GLN 263 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03