#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3x s LYS 4 N 0.00 4.61 0.16 0.00 2.20 -1.26 -4.99 119.74 120.46 3h3x s LYS 4 Ca 0.00 1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.87 3h3x s LYS 4 Cb 0.00 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 3h3x s LYS 4 CO 0.00 0.07 1.54 -1.58 -0.36 0.00 0.00 175.35 175.02 3h3x s HIS 5 N 0.18 3.09 -0.00 4.03 5.65 -1.26 -5.02 115.29 121.96 3h3x s HIS 5 Ca 0.50 0.69 -0.11 0.00 0.25 0.00 0.00 55.06 56.39 3h3x s HIS 5 Cb -0.26 -3.89 -0.05 0.00 -1.18 0.00 0.00 32.58 27.20 3h3x s HIS 5 CO 0.31 -3.24 0.33 1.03 -0.65 0.00 0.00 174.74 172.52 3h3x s ARG 6 N 1.11 3.73 0.30 2.88 0.52 -1.26 -5.07 118.95 121.16 3h3x s ARG 6 Ca 0.69 0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.78 3h3x s ARG 6 Cb -0.43 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 31.80 3h3x s ARG 6 CO 0.31 0.67 1.39 -2.14 0.02 0.00 0.00 175.30 175.56 3h3x s PRO 7 N -1.38 4.28 0.02 3.54 0.02 -1.26 -4.23 135.00 135.99 3h3x s PRO 7 Ca 0.25 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 3h3x s PRO 7 Cb -0.15 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 3h3x s PRO 7 CO 0.13 -0.34 0.98 0.45 -0.33 0.00 0.00 177.00 177.88 3h3x s SER 8 N -0.05 7.39 -0.16 2.53 0.15 -1.26 -0.11 113.70 122.19 3h3x s SER 8 Ca 0.54 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.88 3h3x s SER 8 Cb -0.42 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.34 3h3x s SER 8 CO 0.50 -0.23 -0.16 -0.69 1.20 0.00 0.00 173.24 173.86 3h3x s VAL 9 N 0.85 1.72 -0.22 4.45 1.01 -0.22 -0.20 120.40 127.80 3h3x s VAL 9 Ca 0.51 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3h3x s VAL 9 Cb -0.21 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3h3x s VAL 9 CO 0.28 0.48 0.18 -0.69 0.00 0.00 0.00 175.10 175.35 3h3x s VAL 10 N 1.43 5.36 -0.21 2.92 1.01 0.37 -1.27 120.40 130.00 3h3x s VAL 10 Ca 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3h3x s VAL 10 Cb -0.13 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 3h3x s VAL 10 CO -0.11 0.37 -0.08 0.86 0.00 0.00 0.00 175.10 176.13 3h3x s TRP 11 N 0.85 2.92 0.02 5.22 -0.11 -0.85 -0.21 118.94 126.79 3h3x s TRP 11 Ca 0.09 -1.12 0.02 0.00 1.22 0.00 0.00 56.10 56.30 3h3x s TRP 11 Cb -0.13 -2.06 -0.04 0.00 -1.50 0.00 0.00 33.47 29.74 3h3x s TRP 11 CO 0.03 -0.62 0.03 -0.51 -4.62 0.00 0.00 176.95 171.26 3h3x s LEU 12 N 1.43 3.64 -0.20 5.86 1.43 0.33 -4.34 118.68 126.84 3h3x s LEU 12 Ca 0.05 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3h3x s LEU 12 Cb -0.14 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3h3x s LEU 12 CO -0.06 0.25 -0.10 -1.00 0.23 0.00 0.00 176.35 175.68 3h3x s HIS 13 N -1.18 2.89 0.00 0.29 3.76 -1.26 -1.44 115.29 118.35 3h3x s HIS 13 Ca 0.22 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3h3x s HIS 13 Cb -0.12 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.54 3h3x s HIS 13 CO 0.14 -0.61 0.00 0.09 -0.85 0.00 0.00 174.74 173.50 3h3x n ASN 14 N 4.67 0.00 -4.56 1.40 5.03 0.32 -4.96 115.26 117.17 3h3x n ASN 14 Ca -0.19 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.85 3h3x n ASN 14 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 3h3x n ASN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h3x s ALA 15 N -2.42 2.72 0.20 5.41 0.00 -0.03 -4.86 121.76 122.77 3h3x s ALA 15 Ca 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 51.96 49.79 3h3x s ALA 15 Cb 0.00 -4.48 -0.02 0.00 0.00 0.00 0.00 23.12 18.62 3h3x s ALA 15 CO 0.00 -3.56 0.27 -1.83 0.00 0.00 0.00 175.76 170.64 3h3x s GLU 16 N 5.11 1.27 0.00 0.00 4.04 -1.26 -0.52 118.70 127.34 3h3x s GLU 16 Ca 0.44 -1.38 0.12 0.00 0.04 0.00 0.00 54.97 54.19 3h3x s GLU 16 Cb -0.01 0.36 0.08 0.00 0.02 0.00 0.00 34.13 34.57 3h3x s GLU 16 CO -0.06 -0.47 0.83 0.00 -1.84 0.00 0.00 175.26 173.73 3h3x n THR 18 N 0.50 0.00 0.09 0.00 -1.04 -1.26 -4.91 114.28 107.66 3h3x n THR 18 Ca 0.06 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 3h3x n THR 18 Cb 0.28 -0.17 0.54 0.00 -1.82 0.00 0.00 70.33 69.17 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 0.30 1.19 3.41 0.00 -1.98 -1.35 103.07 104.63 3h3x h GLY 19 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 3h3x h GLY 19 CO 0.00 0.09 -0.75 0.00 0.00 0.00 0.00 176.54 175.88 3h3x h THR 21 N 0.56 1.12 -0.82 0.00 2.02 -1.89 0.94 112.91 114.84 3h3x h THR 21 Ca -0.04 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3h3x h THR 21 Cb 1.38 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 3h3x h THR 21 CO 0.16 0.11 0.50 -0.33 0.37 0.00 0.00 175.52 176.32 3h3x h GLU 22 N 0.16 0.87 0.21 6.66 4.39 -1.09 -2.06 114.58 123.72 3h3x h GLU 22 Ca 0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3h3x h GLU 22 Cb 0.10 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3h3x h GLU 22 CO -0.01 0.58 -0.10 0.00 -1.16 0.00 0.00 179.01 178.32 3h3x h ALA 23 N 1.40 -0.28 -0.78 3.43 0.00 0.07 -3.07 119.26 120.02 3h3x h ALA 23 Ca 0.36 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.29 3h3x h ALA 23 Cb 0.19 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 3h3x h ALA 23 CO -0.18 -0.58 -0.31 0.00 0.00 0.00 0.00 179.25 178.18 3h3x h ALA 24 N 0.30 0.21 0.00 0.00 0.00 -0.54 -0.66 119.26 118.58 3h3x h ALA 24 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3h3x h ALA 24 Cb 0.34 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h3x h ALA 24 CO 0.05 -0.57 0.00 0.44 0.00 0.00 0.00 179.25 179.17 3h3x n ILE 25 N -5.48 0.00 1.77 0.00 -5.35 -0.80 -1.81 119.36 107.69 3h3x n ILE 25 Ca 0.08 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.72 3h3x n ILE 25 Cb 0.39 -0.69 0.79 0.00 -1.74 0.00 0.00 39.64 38.39 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 -0.98 1.07 -1.74 6.28 5.12 -0.25 -4.69 116.66 121.47 3h3x n ARG 26 Ca 0.13 -0.26 -0.42 0.00 -1.93 0.00 0.00 57.85 55.38 3h3x n ARG 26 Cb 0.06 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 29.86 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 -0.74 1.96 -0.03 0.55 5.66 -0.75 -4.94 114.28 115.99 3h3x n THR 27 Ca 0.21 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 3h3x n THR 27 Cb 0.20 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.20 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 0.45 0.22 -3.21 1.09 -5.35 -1.26 -4.08 119.36 107.21 3h3x n ILE 28 Ca 0.03 -0.59 -0.20 0.00 -0.27 0.00 0.00 62.75 61.72 3h3x n ILE 28 Cb 0.37 0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 39.12 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 -0.11 0.29 -2.73 6.28 4.81 -1.26 -3.85 118.16 121.59 3h3x n LYS 29 Ca 0.00 -2.84 -0.22 0.00 -0.87 0.00 0.00 58.31 54.38 3h3x n LYS 29 Cb 0.06 -1.61 0.07 0.00 0.02 0.00 0.00 35.03 33.58 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 0.29 2.10 0.61 1.64 0.04 -1.26 -4.94 135.00 133.48 3h3x s PRO 30 Ca 0.32 -1.17 -0.18 0.00 0.04 0.00 0.00 61.00 60.01 3h3x s PRO 30 Cb 0.03 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3h3x s PRO 30 CO -0.16 -1.06 1.23 0.71 0.04 0.00 0.00 177.00 177.76 3h3x s TYR 31 N -2.89 2.31 0.44 0.56 2.02 -1.25 -4.73 117.35 113.80 3h3x s TYR 31 Ca 0.62 1.51 0.21 0.00 -0.37 0.00 0.00 57.07 59.05 3h3x s TYR 31 Cb -0.07 -3.53 1.18 0.00 -0.40 0.00 0.00 41.96 39.14 3h3x s TYR 31 CO 0.41 -2.39 1.83 0.97 -1.57 0.00 0.00 175.55 174.80 3h3x h ILE 32 N 0.76 0.60 -0.39 2.71 6.09 -1.84 0.51 117.51 125.95 3h3x h ILE 32 Ca -0.50 -0.11 -0.15 0.00 -1.37 0.00 0.00 64.86 62.72 3h3x h ILE 32 Cb 1.31 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3h3x h ILE 32 CO 0.54 0.06 -0.36 -2.24 -3.07 0.00 0.00 178.15 173.09 3h3x h ASP 33 N 0.32 0.99 -0.53 2.19 2.03 -1.95 -0.95 116.42 118.51 3h3x h ASP 33 Ca 0.51 -0.46 -0.08 0.00 -0.73 0.00 0.00 57.03 56.27 3h3x h ASP 33 Cb 1.42 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.62 3h3x h ASP 33 CO -0.17 1.24 0.05 0.00 -1.03 0.00 0.00 179.24 179.33 3h3x h ALA 34 N 0.78 1.01 0.06 4.15 0.00 -1.29 -1.17 119.26 122.80 3h3x h ALA 34 Ca 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3h3x h ALA 34 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3h3x h ALA 34 CO 0.09 0.62 -0.13 1.25 0.00 0.00 0.00 179.25 181.08 3h3x h LEU 35 N 0.89 -0.36 0.00 0.00 5.85 -0.93 0.28 115.31 121.04 3h3x h LEU 35 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3h3x h LEU 35 Cb 0.45 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3h3x h LEU 35 CO 0.02 -0.19 -0.28 2.30 -0.34 0.00 0.00 178.44 179.94 3h3x n ILE 36 N -5.26 0.02 -0.10 4.05 -5.35 -0.40 -1.19 119.36 111.14 3h3x n ILE 36 Ca -0.06 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.31 3h3x n ILE 36 Cb 0.18 -0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.53 0.00 -0.04 7.28 4.77 -0.46 -4.61 117.00 122.42 3h3x n LEU 37 Ca 0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3h3x n LEU 37 Cb 0.34 0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 3h3x n LEU 37 CO 0.32 0.47 -0.74 0.47 -1.33 0.00 0.00 177.39 176.58 3h3x n ASP 38 N -2.72 3.09 -0.10 -1.43 8.00 0.08 -4.93 116.55 118.54 3h3x n ASP 38 Ca -0.31 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.00 3h3x n ASP 38 Cb 1.13 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.79 1.49 -4.32 -3.53 -1.04 -0.34 -4.95 114.28 98.81 3h3x n THR 39 Ca -0.13 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.62 3h3x n THR 39 Cb 0.63 -2.17 -0.09 0.00 -1.82 0.00 0.00 70.33 66.89 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 -2.49 2.48 -0.50 12.58 -4.36 -0.33 -4.05 121.20 124.53 3h3x s ILE 40 Ca -0.27 -1.91 -0.08 0.00 -0.26 0.00 0.00 60.65 58.13 3h3x s ILE 40 Cb 0.07 -2.87 0.13 0.00 1.25 0.00 0.00 42.46 41.03 3h3x s ILE 40 CO 0.43 -0.13 0.37 -0.55 0.24 0.00 0.00 174.94 175.30 3h3x s SER 41 N -3.76 5.69 -0.71 4.36 0.15 0.85 -4.40 113.70 115.88 3h3x s SER 41 Ca 0.36 -2.06 -0.27 0.00 0.70 0.00 0.00 55.95 54.69 3h3x s SER 41 Cb 0.02 -1.99 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 3h3x s SER 41 CO 0.20 -0.65 1.46 -0.22 1.20 0.00 0.00 173.24 175.24 3h3x s LEU 42 N 1.14 3.20 0.00 3.45 2.96 -1.26 -1.05 118.68 127.12 3h3x s LEU 42 Ca 0.08 -0.23 0.23 0.00 -0.22 0.00 0.00 54.13 53.99 3h3x s LEU 42 Cb -0.24 -2.55 0.12 0.00 0.50 0.00 0.00 46.19 44.02 3h3x s LEU 42 CO -0.02 -2.00 1.15 0.47 -1.32 0.00 0.00 176.35 174.63 3h3x n ASP 43 N 10.42 1.26 -3.63 3.68 8.00 -0.40 -4.81 116.55 131.07 3h3x n ASP 43 Ca 0.09 -1.03 -0.04 0.00 0.71 0.00 0.00 54.79 54.52 3h3x n ASP 43 Cb 0.50 0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.75 -1.10 -0.29 1.24 5.04 -1.25 -4.63 117.35 113.61 3h3x s TYR 44 Ca 0.15 2.06 0.02 0.00 -2.44 0.00 0.00 57.07 56.86 3h3x s TYR 44 Cb 0.17 0.66 0.20 0.00 0.35 0.00 0.00 41.96 43.34 3h3x s TYR 44 CO 0.69 -0.55 0.68 -1.14 -1.34 0.00 0.00 175.55 173.89 3h3x s GLN 45 N 2.11 0.48 0.45 4.97 -0.44 -1.26 -2.00 119.66 123.97 3h3x s GLN 45 Ca -0.08 0.49 0.11 0.00 -2.50 0.00 0.00 55.36 53.38 3h3x s GLN 45 Cb -0.07 0.23 1.02 0.00 -1.64 0.00 0.00 33.01 32.54 3h3x s GLN 45 CO -0.19 -0.88 2.07 0.93 0.50 0.00 0.00 175.29 177.72 3h3x h GLU 46 N 7.86 0.24 -0.88 1.67 5.08 -1.95 -0.01 114.58 126.59 3h3x h GLU 46 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3h3x h GLU 46 Cb 1.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3h3x h GLU 46 CO 0.11 0.21 0.48 1.15 -1.00 0.00 0.00 179.01 179.95 3h3x h THR 47 N 0.24 1.26 0.00 1.13 2.02 -1.97 -3.36 112.91 112.23 3h3x h THR 47 Ca 0.06 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3h3x h THR 47 Cb 0.06 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3h3x h THR 47 CO -0.01 0.29 0.00 2.30 0.37 0.00 0.00 175.52 178.48 3h3x n ILE 48 N -4.34 0.00 -2.19 3.11 -5.35 -0.85 -5.07 119.36 104.67 3h3x n ILE 48 Ca 0.09 -0.44 -0.37 0.00 -0.27 0.00 0.00 62.75 61.76 3h3x n ILE 48 Cb 0.10 1.02 -0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.77 3.73 0.12 6.28 0.23 -0.07 -4.96 119.30 123.86 3h3x s MET 49 Ca 0.00 1.86 -0.13 0.00 -1.03 0.00 0.00 55.69 56.39 3h3x s MET 49 Cb 0.00 -2.44 -0.06 0.00 -1.53 0.00 0.00 34.83 30.80 3h3x s MET 49 CO 0.00 -0.60 1.46 0.00 -2.03 0.00 0.00 175.02 173.86 3h3x h ALA 50 N 2.09 0.50 -2.87 3.16 0.00 -1.95 -3.45 119.26 116.74 3h3x h ALA 50 Ca -0.49 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.49 3h3x h ALA 50 Cb 1.25 -0.11 0.08 0.00 0.00 0.00 0.00 17.79 19.01 3h3x h ALA 50 CO 0.60 0.51 0.60 0.00 0.00 0.00 0.00 179.25 180.96 3h3x s ALA 51 N -4.47 3.22 0.36 0.00 0.00 -1.26 -5.05 121.76 114.56 3h3x s ALA 51 Ca -0.12 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3h3x s ALA 51 Cb 0.10 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 3h3x s ALA 51 CO 0.84 -0.84 -0.05 0.00 0.00 0.00 0.00 175.76 175.71 3h3x s ALA 52 N -1.28 2.92 0.00 0.00 0.00 -1.26 -4.47 121.76 117.67 3h3x s ALA 52 Ca 0.58 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3h3x s ALA 52 Cb -0.38 0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3h3x s ALA 52 CO 0.48 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.62 3h3x n GLY 53 N -0.82 3.17 0.29 0.00 0.00 -1.26 -2.03 105.19 104.54 3h3x n GLY 53 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 1.02 -0.50 1.61 5.08 -1.98 -0.51 114.58 119.29 3h3x h GLU 54 Ca 0.00 -0.30 0.10 0.00 -1.00 0.00 0.00 59.36 58.16 3h3x h GLU 54 Cb 0.00 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.04 3h3x h GLU 54 CO 0.00 0.98 -0.23 0.00 -1.00 0.00 0.00 179.01 178.76 3h3x h ALA 55 N 1.00 0.13 -0.26 3.43 0.00 -1.92 0.27 119.26 121.91 3h3x h ALA 55 Ca 0.18 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3h3x h ALA 55 Cb 0.48 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3h3x h ALA 55 CO 0.02 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 178.77 3h3x h ALA 56 N 1.21 0.27 -0.45 0.00 0.00 -0.77 -2.34 119.26 117.18 3h3x h ALA 56 Ca 0.23 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3h3x h ALA 56 Cb 0.48 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h3x h ALA 56 CO -0.58 -0.35 0.01 1.49 0.00 0.00 0.00 179.25 179.83 3h3x h GLU 57 N 0.17 0.74 -0.18 0.00 4.81 -0.81 -1.10 114.58 118.20 3h3x h GLU 57 Ca 0.12 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3h3x h GLU 57 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3h3x h GLU 57 CO -0.14 0.75 0.10 0.00 -0.73 0.00 0.00 179.01 178.99 3h3x h ALA 58 N 1.31 0.23 -0.95 2.92 0.00 -0.81 -2.07 119.26 119.89 3h3x h ALA 58 Ca 0.14 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3h3x h ALA 58 Cb 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3h3x h ALA 58 CO 0.02 -0.24 0.60 0.00 0.00 0.00 0.00 179.25 179.63 3h3x h ALA 59 N 1.00 1.75 0.02 0.00 0.00 -0.67 0.31 119.26 121.67 3h3x h ALA 59 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h3x h ALA 59 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h3x h ALA 59 CO -0.01 -0.03 -0.01 1.25 0.00 0.00 0.00 179.25 180.45 3h3x h LEU 60 N 0.76 -0.02 -1.79 0.00 5.85 -1.21 -0.80 115.31 118.10 3h3x h LEU 60 Ca 0.50 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3h3x h LEU 60 Cb 0.75 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3h3x h LEU 60 CO -0.26 0.18 -0.07 0.45 -0.34 0.00 0.00 178.44 178.40 3h3x h HIS 61 N -0.23 0.00 -0.13 1.25 3.86 -0.08 0.15 115.15 119.97 3h3x h HIS 61 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3h3x h HIS 61 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.69 3h3x h HIS 61 CO -0.01 0.07 -0.58 1.96 0.86 0.00 0.00 177.93 180.23 3h3x h GLN 62 N 0.00 0.62 -0.28 2.45 4.20 -0.25 -2.85 115.11 119.01 3h3x h GLN 62 Ca -0.00 -0.50 -0.13 0.00 0.06 0.00 0.00 58.65 58.08 3h3x h GLN 62 Cb 0.41 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3h3x h GLN 62 CO 0.01 1.12 -0.38 0.00 -0.67 0.00 0.00 178.83 178.91 3h3x h ALA 63 N 0.51 0.82 0.00 3.87 0.00 -0.08 -2.33 119.26 122.05 3h3x h ALA 63 Ca -0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3h3x h ALA 63 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3h3x h ALA 63 CO 0.12 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.63 3h3x h LEU 64 N 0.53 0.00 -2.38 0.00 3.38 -1.06 -2.46 115.31 113.32 3h3x h LEU 64 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h3x h LEU 64 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3h3x h LEU 64 CO 0.08 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 3h3x n GLU 65 N -3.78 2.54 -1.71 1.13 1.02 -1.07 -4.99 120.64 113.77 3h3x n GLU 65 Ca -0.01 -2.34 -0.42 0.00 -0.02 0.00 0.00 57.16 54.36 3h3x n GLU 65 Cb 0.40 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 3h3x n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h3x n GLY 66 N 1.54 0.79 0.36 0.62 0.00 -0.89 -4.91 105.19 102.69 3h3x n GLY 66 Ca 0.20 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 3h3x n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x h LYS 67 N 3.00 1.27 -0.15 1.61 6.56 -1.90 -2.78 116.57 124.18 3h3x h LYS 67 Ca -0.47 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 3h3x h LYS 67 Cb 1.27 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 3h3x h LYS 67 CO 0.66 0.91 0.00 -0.25 -2.06 0.00 0.00 179.45 178.70 3h3x n ASP 68 N -4.34 0.96 -0.81 0.86 8.00 -1.26 -5.04 116.55 114.92 3h3x n ASP 68 Ca 0.10 -1.82 0.08 0.00 0.71 0.00 0.00 54.79 53.87 3h3x n ASP 68 Cb 0.08 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.87 -1.85 3.44 0.44 0.00 -1.05 -4.96 105.19 102.08 3h3x n GLY 69 Ca 0.10 -1.26 -0.10 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 -1.23 -0.10 0.08 1.61 -0.85 -1.26 -4.41 117.35 111.19 3h3x s TYR 70 Ca 0.00 -0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 3h3x s TYR 70 Cb 0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 3h3x s TYR 70 CO 0.00 -0.84 0.15 0.71 -1.52 0.00 0.00 175.55 174.06 3h3x s TYR 71 N -3.86 3.35 -0.21 -3.49 1.51 0.73 -1.19 117.35 114.19 3h3x s TYR 71 Ca 0.08 0.15 -0.04 0.00 -1.01 0.00 0.00 57.07 56.25 3h3x s TYR 71 Cb 0.00 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3h3x s TYR 71 CO -0.05 0.55 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.74 3h3x s LEU 72 N -2.54 3.06 -0.18 -1.29 2.96 -0.71 -0.48 118.68 119.51 3h3x s LEU 72 Ca 0.32 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 3h3x s LEU 72 Cb -0.12 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3h3x s LEU 72 CO 0.25 0.02 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.61 3h3x s VAL 73 N 1.23 4.09 -0.11 1.68 1.01 0.71 -0.64 120.40 128.37 3h3x s VAL 73 Ca 0.03 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3h3x s VAL 73 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3h3x s VAL 73 CO -0.00 0.46 -0.23 -0.69 0.00 0.00 0.00 175.10 174.64 3h3x s VAL 74 N 0.60 2.13 -0.14 2.92 1.01 -0.16 -0.51 120.40 126.25 3h3x s VAL 74 Ca -0.01 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3h3x s VAL 74 Cb -0.14 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3h3x s VAL 74 CO 0.02 0.55 -0.21 -0.70 0.00 0.00 0.00 175.10 174.76 3h3x s GLU 75 N 0.48 3.05 0.00 2.72 2.12 -0.52 -1.38 118.70 125.16 3h3x s GLU 75 Ca -0.15 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.34 3h3x s GLU 75 Cb -0.17 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.77 3h3x s GLU 75 CO 0.06 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 3h3x n GLY 76 N 4.02 2.62 3.96 -1.50 0.00 -1.26 -0.52 105.19 112.51 3h3x n GLY 76 Ca -0.20 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 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 0.00 1.80 -0.26 -0.02 0.00 0.33 -3.01 107.32 106.16 3h3x s GLY 77 Ca 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 3h3x s GLY 77 CO 0.00 -0.69 -0.05 1.08 0.00 0.00 0.00 173.10 173.44 3h3x s LEU 78 N -5.74 3.36 -0.09 0.66 1.43 0.28 -0.85 118.68 117.72 3h3x s LEU 78 Ca 0.74 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 3h3x s LEU 78 Cb -0.03 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3h3x s LEU 78 CO 0.51 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.81 3h3x s PRO 79 N 1.29 4.41 -0.00 1.29 0.04 -1.26 -0.96 135.00 139.81 3h3x s PRO 79 Ca -0.02 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.56 3h3x s PRO 79 Cb -0.18 -3.54 -0.12 0.00 0.04 0.00 0.00 34.50 30.70 3h3x s PRO 79 CO -0.04 -0.33 0.37 0.25 0.04 0.00 0.00 177.00 177.29 3h3x n THR 80 N 4.55 0.00 -0.99 1.26 -2.24 -0.84 -4.23 114.28 111.79 3h3x n THR 80 Ca 0.09 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 3h3x n THR 80 Cb 0.48 0.85 0.14 0.00 -2.10 0.00 0.00 70.33 69.69 3h3x n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3x n ILE 81 N -1.36 1.42 -4.20 2.28 3.06 -0.91 -2.52 119.36 117.13 3h3x n ILE 81 Ca 0.01 -0.16 -0.29 0.00 -2.50 0.00 0.00 62.75 59.80 3h3x n ILE 81 Cb 0.18 -1.10 -0.07 0.00 0.54 0.00 0.00 39.64 39.18 3h3x n ILE 81 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3h3x n ASP 82 N -3.30 0.37 -2.60 9.51 9.92 -1.26 -1.51 116.55 127.67 3h3x n ASP 82 Ca 0.13 -1.18 -0.21 0.00 -0.53 0.00 0.00 54.79 53.00 3h3x n ASP 82 Cb 0.51 -2.11 0.01 0.00 -0.64 0.00 0.00 41.12 38.89 3h3x n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h3x n GLY 83 N -2.32 -0.47 2.13 0.44 0.00 -1.19 -2.27 105.19 101.51 3h3x n GLY 83 Ca -0.30 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.26 0.52 0.01 -0.02 0.00 -0.57 -4.86 105.19 99.01 3h3x n GLY 84 Ca -0.18 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.62 0.16 0.00 1.61 6.02 -0.96 -3.09 117.38 118.50 3h3x n GLN 85 Ca -0.02 -0.03 0.16 0.00 -0.01 0.00 0.00 57.00 57.10 3h3x n GLN 85 Cb 0.09 -1.50 0.88 0.00 1.02 0.00 0.00 30.24 30.73 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 -1.39 0.00 -3.49 1.08 7.02 -1.26 -4.55 117.44 114.84 3h3x n TRP 86 Ca 0.09 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.40 3h3x n TRP 86 Cb 0.31 -0.05 -0.12 0.00 -2.42 0.00 0.00 31.31 29.03 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 -2.11 -0.05 0.02 6.99 0.00 -1.18 -5.03 107.32 105.96 3h3x s GLY 87 Ca 0.44 0.38 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 3h3x s GLY 87 CO 0.39 2.18 -0.01 1.06 0.00 0.00 0.00 173.10 176.72 3h3x s MET 88 N 2.35 0.31 -0.04 2.90 -1.94 -1.26 -1.05 119.30 120.57 3h3x s MET 88 Ca 0.07 -0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 3h3x s MET 88 Cb -0.15 0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.83 3h3x s MET 88 CO -0.12 -0.05 0.09 0.08 -0.01 0.00 0.00 175.02 175.01 3h3x s VAL 89 N -1.34 -0.04 -1.41 -6.03 1.01 -0.45 -4.83 120.40 107.31 3h3x s VAL 89 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h3x s VAL 89 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3h3x s VAL 89 CO -0.01 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.15 3h3x n ALA 90 N 3.89 -0.67 -0.99 5.51 0.00 -1.26 -1.14 120.51 125.85 3h3x n ALA 90 Ca -0.23 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h3x n ALA 90 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.86 0.51 3.42 0.00 0.00 -1.26 -5.04 105.19 101.95 3h3x n GLY 91 Ca -0.19 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 2.62 0.24 1.61 0.09 -0.29 -5.10 115.29 112.46 3h3x s HIS 92 Ca 0.00 -0.29 -0.31 0.00 -0.00 0.00 0.00 55.06 54.46 3h3x s HIS 92 Cb 0.00 -1.62 -0.14 0.00 -0.00 0.00 0.00 32.58 30.82 3h3x s HIS 92 CO 0.00 0.08 1.23 -2.30 -0.00 0.00 0.00 174.74 173.76 3h3x n PRO 93 N 2.48 1.64 -0.23 8.40 -0.02 -1.26 -1.34 135.00 144.67 3h3x n PRO 93 Ca -0.17 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3h3x n PRO 93 Cb 0.52 -2.12 0.11 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.29 0.60 -0.88 -0.52 2.86 -1.24 -1.73 114.93 117.30 3h3x h MET 94 Ca -0.43 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.31 3h3x h MET 94 Cb 1.31 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.75 3h3x h MET 94 CO 0.69 0.40 0.49 0.97 1.06 0.00 0.00 176.91 180.52 3h3x h ILE 95 N 0.62 0.80 -0.45 -1.22 2.10 -1.85 0.46 117.51 117.96 3h3x h ILE 95 Ca 0.31 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.99 3h3x h ILE 95 Cb 0.26 -0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 35.97 3h3x h ILE 95 CO -0.22 0.13 0.25 -0.08 -1.08 0.00 0.00 178.15 177.16 3h3x h GLU 96 N 0.73 0.63 -0.03 2.19 4.81 -1.69 -1.00 114.58 120.22 3h3x h GLU 96 Ca 0.47 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.37 3h3x h GLU 96 Cb 0.59 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.87 3h3x h GLU 96 CO -0.32 0.49 -0.98 1.15 -0.73 0.00 0.00 179.01 178.61 3h3x h THR 97 N 0.59 1.28 -0.72 0.32 2.02 -0.99 -1.85 112.91 113.55 3h3x h THR 97 Ca 0.16 -2.19 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 3h3x h THR 97 Cb 0.04 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3h3x h THR 97 CO -0.03 0.68 0.35 0.74 0.37 0.00 0.00 175.52 177.64 3h3x h THR 98 N 0.43 1.23 -0.62 3.16 2.02 -0.91 -1.13 112.91 117.09 3h3x h THR 98 Ca -0.11 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3h3x h THR 98 Cb 1.63 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3h3x h THR 98 CO 0.19 0.27 0.28 0.50 0.37 0.00 0.00 175.52 177.14 3h3x h LYS 99 N 1.01 0.91 0.14 6.66 3.64 -1.11 0.18 116.57 128.00 3h3x h LYS 99 Ca 0.25 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3h3x h LYS 99 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3h3x h LYS 99 CO -0.03 0.75 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.56 3h3x h LYS 100 N 0.86 -0.25 -0.29 1.90 3.64 -0.95 -2.56 116.57 118.91 3h3x h LYS 100 Ca 0.21 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3h3x h LYS 100 Cb 0.16 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h3x h LYS 100 CO -0.02 -0.17 -0.24 0.00 -2.27 0.00 0.00 179.45 176.75 3h3x h ALA 101 N 0.58 1.04 -0.09 5.00 0.00 -0.90 -2.66 119.26 122.23 3h3x h ALA 101 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3h3x h ALA 101 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h3x h ALA 101 CO -0.01 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 3h3x h ALA 102 N 1.25 1.47 -0.29 0.00 0.00 -0.59 -3.23 119.26 117.87 3h3x h ALA 102 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3h3x h ALA 102 Cb 0.68 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3h3x h ALA 102 CO 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3h3x h ALA 103 N 1.64 0.24 -0.41 0.00 0.00 -1.08 -2.80 119.26 116.84 3h3x h ALA 103 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h3x h ALA 103 Cb 0.47 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h3x h ALA 103 CO 0.03 -0.43 0.00 1.63 0.00 0.00 0.00 179.25 180.49 3h3x n LYS 104 N -5.18 2.45 -2.31 0.00 5.02 -1.24 -4.99 118.16 111.91 3h3x n LYS 104 Ca -0.00 -2.25 -0.41 0.00 -2.02 0.00 0.00 58.31 53.63 3h3x n LYS 104 Cb 0.16 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.32 3.46 0.52 7.82 0.00 -1.06 -4.68 121.76 126.51 3h3x s ALA 105 Ca 0.37 1.04 0.19 0.00 0.00 0.00 0.00 51.96 53.56 3h3x s ALA 105 Cb 0.21 -3.42 1.31 0.00 0.00 0.00 0.00 23.12 21.23 3h3x s ALA 105 CO 0.29 -0.41 2.10 0.87 0.00 0.00 0.00 175.76 178.61 3h3x h LYS 106 N 4.41 0.00 -1.77 0.00 1.57 -1.51 -3.46 116.57 115.82 3h3x h LYS 106 Ca -0.46 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.52 3h3x h LYS 106 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.35 3h3x h LYS 106 CO 0.71 0.00 0.70 0.20 -0.57 0.00 0.00 179.45 180.48 3h3x s GLY 107 N -4.05 -0.35 -0.10 3.86 0.00 -1.26 -5.05 107.32 100.36 3h3x s GLY 107 Ca -0.05 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.01 3h3x s GLY 107 CO 0.69 0.44 -0.08 -0.42 0.00 0.00 0.00 173.10 173.72 3h3x s ILE 108 N -2.68 1.02 -0.21 0.90 1.01 -1.26 -1.74 121.20 118.24 3h3x s ILE 108 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 3h3x s ILE 108 Cb -0.01 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3h3x s ILE 108 CO -0.06 0.36 0.01 -0.63 0.00 0.00 0.00 174.94 174.62 3h3x s ILE 109 N 1.51 3.99 -0.50 2.92 1.01 0.19 -0.55 121.20 129.77 3h3x s ILE 109 Ca 0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 3h3x s ILE 109 Cb -0.13 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.57 3h3x s ILE 109 CO -0.06 0.41 0.67 0.00 0.00 0.00 0.00 174.94 175.96 3h3x s ILE 111 N 2.85 4.60 0.00 0.00 2.07 -0.48 -0.41 121.20 129.83 3h3x s ILE 111 Ca 0.18 0.81 0.00 0.00 -1.41 0.00 0.00 60.65 60.23 3h3x s ILE 111 Cb -0.17 -4.33 0.00 0.00 0.13 0.00 0.00 42.46 38.08 3h3x s ILE 111 CO 0.14 -0.65 0.00 0.61 -1.91 0.00 0.00 174.94 173.13 3h3x n GLY 112 N 4.73 1.76 0.28 1.50 0.00 0.10 -4.47 105.19 109.08 3h3x n GLY 112 Ca 0.05 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.26 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 1.12 0.62 2.61 2.02 -1.51 -2.02 112.91 115.76 3h3x h THR 113 Ca 0.00 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3h3x h THR 113 Cb 0.00 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3h3x h THR 113 CO 0.00 0.15 -0.42 0.00 0.37 0.00 0.00 175.52 175.62 3h3x h SER 115 N -1.00 0.80 -0.18 0.00 4.64 -1.46 0.35 113.55 116.70 3h3x h SER 115 Ca -0.08 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3h3x h SER 115 Cb 0.82 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3h3x h SER 115 CO 0.05 0.89 0.08 0.00 -0.87 0.00 0.00 176.83 176.98 3h3x h ALA 116 N 0.94 0.23 0.00 5.18 0.00 -1.36 0.12 119.26 124.37 3h3x h ALA 116 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h3x h ALA 116 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h3x h ALA 116 CO 0.02 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.73 3h3x n TYR 117 N -4.87 0.00 0.00 0.00 4.01 0.09 -4.45 117.16 111.94 3h3x n TYR 117 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3h3x n TYR 117 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.16 3.23 7.00 2.72 0.00 0.12 -4.15 105.19 114.27 3h3x n GLY 118 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.39 0.32 -0.02 0.00 -1.20 -4.00 105.19 100.68 3h3x n GLY 119 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 1.08 0.00 1.61 3.04 -1.93 0.36 116.25 120.41 3h3x h VAL 120 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3h3x h VAL 120 Cb 0.00 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.29 3h3x h VAL 120 CO 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 176.74 3h3x n GLN 121 N -4.61 0.11 0.02 4.17 0.00 -1.26 -2.48 117.38 113.32 3h3x n GLN 121 Ca 0.11 0.34 0.12 0.00 0.00 0.00 0.00 57.00 57.57 3h3x n GLN 121 Cb 0.14 -1.70 0.13 0.00 0.00 0.00 0.00 30.24 28.81 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 -1.91 0.12 -1.62 2.61 4.81 0.11 -4.50 118.16 117.78 3h3x n LYS 122 Ca 0.03 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.07 3h3x n LYS 122 Cb 0.21 -1.55 0.02 0.00 0.02 0.00 0.00 35.03 33.73 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 -1.63 0.29 -1.58 3.14 0.00 -1.04 -4.20 120.51 115.49 3h3x n ALA 123 Ca 0.04 0.19 -0.47 0.00 0.00 0.00 0.00 53.44 53.20 3h3x n ALA 123 Cb 0.38 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.06 1.25 -0.85 0.00 5.02 -1.26 0.07 118.16 122.34 3h3x n LYS 124 Ca 0.10 0.44 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 3h3x n LYS 124 Cb 0.41 -1.89 0.18 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.36 2.52 -3.80 1.97 -0.04 -1.26 -5.00 135.00 130.75 3h3x n PRO 125 Ca 0.13 -2.28 -0.30 0.00 -0.04 0.00 0.00 63.50 61.01 3h3x n PRO 125 Cb 0.28 -1.94 0.01 0.00 -0.04 0.00 0.00 33.50 31.81 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 -0.38 -4.96 0.20 3.54 5.15 0.11 -4.88 115.26 114.05 3h3x n ASN 126 Ca 0.38 -0.99 0.05 0.00 -0.60 0.00 0.00 54.58 53.42 3h3x n ASN 126 Cb 1.26 -2.18 0.51 0.00 -0.53 0.00 0.00 39.78 38.84 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 -1.07 0.07 -0.13 1.20 0.13 -1.83 -2.29 132.00 128.08 3h3x h PRO 127 Ca -0.61 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3h3x h PRO 127 Cb 1.36 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3h3x h PRO 127 CO 0.42 0.18 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 3h3x n SER 128 N -4.38 2.11 -3.64 1.44 3.41 -1.26 -4.92 113.62 106.38 3h3x n SER 128 Ca -0.02 -1.73 -0.22 0.00 -0.26 0.00 0.00 58.87 56.64 3h3x n SER 128 Cb 0.20 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.63 -5.88 -2.26 4.33 6.02 -0.86 -1.99 117.38 117.37 3h3x n GLN 129 Ca 0.17 0.71 -0.39 0.00 -0.01 0.00 0.00 57.00 57.48 3h3x n GLN 129 Cb 0.43 -5.51 -0.02 0.00 1.02 0.00 0.00 30.24 26.16 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 -3.48 3.21 0.08 -1.58 0.00 -1.26 -2.06 121.76 116.67 3h3x s ALA 130 Ca 0.17 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.18 3h3x s ALA 130 Cb -0.08 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3h3x s ALA 130 CO 0.78 -0.56 -0.09 0.15 0.00 0.00 0.00 175.76 176.05 3h3x s LYS 131 N -2.19 0.73 0.92 0.00 1.02 -0.13 -4.77 119.74 115.32 3h3x s LYS 131 Ca 0.56 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 3h3x s LYS 131 Cb -0.32 -0.39 0.14 0.00 -0.52 0.00 0.00 37.83 36.74 3h3x s LYS 131 CO 0.41 0.05 1.12 0.20 -0.92 0.00 0.00 175.35 176.22 3h3x s GLY 132 N -2.26 1.58 0.05 -3.33 0.00 -1.26 -0.56 107.32 101.54 3h3x s GLY 132 Ca 0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 3h3x s GLY 132 CO -0.01 0.11 1.55 -2.08 0.00 0.00 0.00 173.10 172.68 3h3x h VAL 133 N -1.56 1.17 -0.05 1.40 2.07 -0.96 -0.87 116.25 117.45 3h3x h VAL 133 Ca -0.51 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3h3x h VAL 133 Cb 1.32 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3h3x h VAL 133 CO 0.60 0.13 -0.20 0.77 0.02 0.00 0.00 177.57 178.90 3h3x h SER 134 N -0.15 0.08 -0.14 0.57 4.64 -1.79 0.41 113.55 117.17 3h3x h SER 134 Ca 0.01 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3h3x h SER 134 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h3x h SER 134 CO -0.00 0.29 -0.30 -0.08 -0.87 0.00 0.00 176.83 175.87 3h3x h GLU 135 N 0.08 0.45 -0.17 4.77 4.81 -1.81 0.13 114.58 122.85 3h3x h GLU 135 Ca 0.01 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3h3x h GLU 135 Cb 0.40 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3h3x h GLU 135 CO 0.03 0.90 -0.40 0.00 -0.73 0.00 0.00 179.01 178.81 3h3x h ALA 136 N 0.55 1.00 0.00 2.92 0.00 0.15 -3.33 119.26 120.55 3h3x h ALA 136 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3h3x h ALA 136 Cb 0.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3h3x h ALA 136 CO 0.07 0.61 -2.02 1.28 0.00 0.00 0.00 179.25 179.19 3h3x n LEU 137 N -4.03 0.00 -1.66 0.00 4.77 0.13 -5.01 117.00 111.20 3h3x n LEU 137 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 3h3x n LEU 137 Cb 0.49 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3h3x n LEU 137 CO 0.43 0.18 0.03 0.61 -1.33 0.00 0.00 177.39 177.31 3h3x n GLY 138 N 1.60 0.16 3.10 -0.72 0.00 0.45 -5.04 105.19 104.73 3h3x n GLY 138 Ca -0.14 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 3h3x n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3x s VAL 139 N -2.92 0.96 0.20 1.61 -7.23 -1.20 -5.05 120.40 106.77 3h3x s VAL 139 Ca 0.18 -0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 59.27 3h3x s VAL 139 Cb -0.08 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.91 3h3x s VAL 139 CO 0.22 0.08 1.47 -0.75 -0.31 0.00 0.00 175.10 175.81 3h3x s LYS 140 N -0.79 4.26 0.12 4.82 2.20 -1.26 -4.26 119.74 124.83 3h3x s LYS 140 Ca 0.02 2.28 0.10 0.00 -0.36 0.00 0.00 55.97 58.01 3h3x s LYS 140 Cb -0.06 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 3h3x s LYS 140 CO 0.00 -0.47 -0.25 0.95 -0.36 0.00 0.00 175.35 175.23 3h3x s THR 141 N 0.51 2.07 -0.38 3.43 -4.23 -1.26 -4.64 115.64 111.14 3h3x s THR 141 Ca 0.63 -1.70 -0.25 0.00 -1.18 0.00 0.00 61.69 59.20 3h3x s THR 141 Cb -0.42 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3h3x s THR 141 CO 0.37 0.03 0.87 -0.63 -0.54 0.00 0.00 174.62 174.72 3h3x s ILE 142 N -1.13 4.63 -0.21 2.99 1.01 0.29 -4.85 121.20 123.94 3h3x s ILE 142 Ca 0.12 1.02 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 3h3x s ILE 142 Cb -0.10 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 3h3x s ILE 142 CO 0.06 -0.53 0.40 0.20 0.00 0.00 0.00 174.94 175.06 3h3x s ASN 143 N 1.90 6.41 -0.72 3.58 0.01 -0.18 -0.29 114.94 125.66 3h3x s ASN 143 Ca 0.35 0.48 0.04 0.00 -0.71 0.00 0.00 52.86 53.03 3h3x s ASN 143 Cb -0.12 -2.23 0.24 0.00 0.41 0.00 0.00 41.25 39.55 3h3x s ASN 143 CO 0.19 -0.09 0.79 -0.38 -1.51 0.00 0.00 177.10 176.09 3h3x n ILE 144 N 4.45 2.63 -2.16 0.60 2.08 0.45 -4.08 119.36 123.32 3h3x n ILE 144 Ca -0.08 -5.23 -0.28 0.00 0.56 0.00 0.00 62.75 57.71 3h3x n ILE 144 Cb 0.51 -2.14 0.18 0.00 -0.75 0.00 0.00 39.64 37.44 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 -2.25 0.77 0.00 0.38 0.04 -1.26 -0.72 135.00 131.95 3h3x s PRO 145 Ca 0.35 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.64 3h3x s PRO 145 Cb 0.09 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3h3x s PRO 145 CO -0.04 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.18 3h3x n GLY 146 N -3.53 3.21 2.30 0.56 0.00 -1.25 -4.25 105.19 102.23 3h3x n GLY 146 Ca 0.17 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 2.42 0.68 0.00 0.04 -1.26 -5.06 135.00 131.26 3h3x s PRO 148 Ca 0.34 -0.42 -0.14 0.00 0.04 0.00 0.00 61.00 60.83 3h3x s PRO 148 Cb 0.10 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3h3x s PRO 148 CO -0.16 -0.97 1.09 -1.25 0.04 0.00 0.00 177.00 175.76 3h3x s PRO 149 N -5.03 2.75 0.22 0.56 0.04 -1.21 -4.99 135.00 127.34 3h3x s PRO 149 Ca 0.58 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 3h3x s PRO 149 Cb -0.11 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3h3x s PRO 149 CO 0.42 -1.28 1.62 1.21 0.04 0.00 0.00 177.00 179.02 3h3x s ASN 150 N -2.91 6.45 0.44 6.66 3.84 -1.26 -4.79 114.94 123.38 3h3x s ASN 150 Ca 0.64 2.81 0.22 0.00 0.21 0.00 0.00 52.86 56.74 3h3x s ASN 150 Cb -0.18 -2.61 1.21 0.00 -0.55 0.00 0.00 41.25 39.11 3h3x s ASN 150 CO 0.46 -0.90 1.81 1.55 -2.79 0.00 0.00 177.10 177.23 3h3x h PRO 151 N 6.13 0.29 -0.87 0.43 0.13 -1.91 0.12 132.00 136.32 3h3x h PRO 151 Ca -0.44 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 3h3x h PRO 151 Cb 1.21 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3h3x h PRO 151 CO 0.89 0.19 0.52 0.82 -0.23 0.00 0.00 178.00 180.18 3h3x h ILE 152 N 0.29 0.93 -0.11 -3.56 2.04 -1.93 0.70 117.51 115.87 3h3x h ILE 152 Ca 0.54 -0.30 -0.16 0.00 1.00 0.00 0.00 64.86 65.94 3h3x h ILE 152 Cb 1.56 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3h3x h ILE 152 CO -0.19 0.16 -0.62 0.78 0.00 0.00 0.00 178.15 178.28 3h3x h ASN 153 N 0.86 0.45 0.03 1.72 2.35 -1.13 -2.00 115.58 117.87 3h3x h ASN 153 Ca 0.42 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3h3x h ASN 153 Cb 0.36 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3h3x h ASN 153 CO -0.24 0.96 -0.02 0.15 -1.65 0.00 0.00 177.43 176.63 3h3x h PHE 154 N 0.29 -0.04 -0.59 1.19 3.57 -1.10 -2.58 116.94 117.67 3h3x h PHE 154 Ca -0.01 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3h3x h PHE 154 Cb 1.15 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3h3x h PHE 154 CO 0.04 0.61 0.05 0.28 -2.23 0.00 0.00 178.31 177.06 3h3x h VAL 155 N -0.93 1.26 -0.45 1.41 2.07 -1.00 -0.77 116.25 117.84 3h3x h VAL 155 Ca -0.00 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3h3x h VAL 155 Cb 0.67 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3h3x h VAL 155 CO 0.01 0.39 0.16 1.23 0.02 0.00 0.00 177.57 179.38 3h3x h GLY 156 N 1.02 0.59 0.99 2.17 0.00 -1.47 0.13 103.07 106.50 3h3x h GLY 156 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3h3x h GLY 156 CO 0.02 0.03 0.04 0.00 0.00 0.00 0.00 176.54 176.63 3h3x h ALA 157 N 1.29 0.08 0.04 3.60 0.00 -1.02 -0.68 119.26 122.57 3h3x h ALA 157 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h3x h ALA 157 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h3x h ALA 157 CO -0.21 -0.42 -0.02 0.28 0.00 0.00 0.00 179.25 178.88 3h3x h VAL 158 N 0.08 0.96 -0.60 0.00 2.07 -0.73 0.49 116.25 118.53 3h3x h VAL 158 Ca 0.02 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3h3x h VAL 158 Cb 0.00 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3h3x h VAL 158 CO -0.01 0.00 0.37 0.58 0.02 0.00 0.00 177.57 178.54 3h3x h VAL 159 N -0.06 1.17 -0.62 2.57 2.07 -0.73 -1.58 116.25 119.08 3h3x h VAL 159 Ca -0.01 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3h3x h VAL 159 Cb 0.05 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3h3x h VAL 159 CO 0.01 0.17 0.37 -0.74 0.02 0.00 0.00 177.57 177.41 3h3x h HIS 160 N 0.81 0.69 -0.42 1.57 6.17 -0.71 -1.54 115.15 121.72 3h3x h HIS 160 Ca 0.22 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.28 3h3x h HIS 160 Cb -0.04 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.65 3h3x h HIS 160 CO -0.02 0.39 0.12 0.28 0.71 0.00 0.00 177.93 179.40 3h3x h VAL 161 N 0.73 1.22 0.00 5.26 2.07 -0.33 0.28 116.25 125.47 3h3x h VAL 161 Ca 0.25 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3h3x h VAL 161 Cb 0.05 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3h3x h VAL 161 CO -0.11 0.27 -0.27 -0.07 0.02 0.00 0.00 177.57 177.41 3h3x h LEU 162 N 0.54 0.00 0.00 2.57 3.38 -1.07 -3.25 115.31 117.48 3h3x h LEU 162 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3h3x h LEU 162 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3h3x h LEU 162 CO -0.00 0.27 -1.01 0.35 0.09 0.00 0.00 178.44 178.13 3h3x n THR 163 N -3.70 0.01 -0.04 0.22 -2.24 -0.60 -4.88 114.28 103.05 3h3x n THR 163 Ca -0.01 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 3h3x n THR 163 Cb 0.38 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.79 0.18 0.00 -0.78 5.02 0.82 -5.07 118.16 116.54 3h3x n LYS 164 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3h3x n LYS 164 Cb 0.29 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 2.84 0.92 3.65 0.72 0.00 -0.27 -5.01 105.19 108.03 3h3x n GLY 165 Ca -0.14 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.14 4.48 0.71 -0.61 1.01 -1.26 -3.30 121.20 120.09 3h3x s ILE 166 Ca 0.00 1.75 -0.15 0.00 0.00 0.00 0.00 60.65 62.25 3h3x s ILE 166 Cb 0.00 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.24 3h3x s ILE 166 CO 0.00 -0.29 1.18 -2.16 0.00 0.00 0.00 174.94 173.66 3h3x s PRO 167 N 3.52 2.32 -0.01 2.79 0.04 -1.26 -4.94 135.00 137.45 3h3x s PRO 167 Ca 0.48 1.66 -0.35 0.00 0.04 0.00 0.00 61.00 62.82 3h3x s PRO 167 Cb -0.16 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 3h3x s PRO 167 CO 0.13 -1.68 1.68 -0.25 0.04 0.00 0.00 177.00 176.92 3h3x n ASP 168 N -2.64 2.91 -4.76 6.66 8.00 -1.26 -4.91 116.55 120.55 3h3x n ASP 168 Ca 0.13 1.05 -0.31 0.00 0.71 0.00 0.00 54.79 56.36 3h3x n ASP 168 Cb 0.51 -1.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 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 2.42 3.75 0.00 0.64 1.43 -1.26 -1.27 118.68 124.38 3h3x s LEU 169 Ca 0.88 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 3h3x s LEU 169 Cb -0.78 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.09 3h3x s LEU 169 CO 0.48 0.19 0.29 -0.90 0.23 0.00 0.00 176.35 176.64 3h3x n ASP 170 N 0.61 0.11 0.04 2.29 5.68 0.10 -4.84 116.55 120.54 3h3x n ASP 170 Ca -0.10 -1.16 0.20 0.00 -0.50 0.00 0.00 54.79 53.23 3h3x n ASP 170 Cb 0.52 -0.21 0.71 0.00 -1.14 0.00 0.00 41.12 41.00 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 0.00 -0.58 0.11 4.11 -2.01 -0.35 114.58 115.86 3h3x h GLU 171 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3h3x h GLU 171 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3h3x h GLU 171 CO 0.08 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.25 3h3x n ASN 172 N -4.23 5.49 -0.11 3.06 5.03 -1.26 -4.94 115.26 118.31 3h3x n ASN 172 Ca 0.08 -2.83 -0.01 0.00 0.87 0.00 0.00 54.58 52.69 3h3x n ASN 172 Cb 0.57 -0.66 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 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 0.70 0.40 3.78 7.41 0.00 -0.14 -4.75 105.19 112.59 3h3x n GLY 173 Ca 0.27 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.18 4.27 0.06 1.61 0.52 -1.26 -1.01 118.95 121.96 3h3x s ARG 174 Ca 0.00 0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 55.63 3h3x s ARG 174 Cb 0.00 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 3h3x s ARG 174 CO 0.00 0.47 1.69 -2.14 0.02 0.00 0.00 175.30 175.35 3h3x s PRO 175 N -0.55 4.19 0.59 3.54 0.02 -1.26 -0.72 135.00 140.81 3h3x s PRO 175 Ca 0.30 2.36 0.30 0.00 0.02 0.00 0.00 61.00 63.98 3h3x s PRO 175 Cb -0.19 -3.68 1.79 0.00 0.02 0.00 0.00 34.50 32.45 3h3x s PRO 175 CO 0.18 -0.77 2.22 0.87 -0.33 0.00 0.00 177.00 179.17 3h3x h LYS 176 N 8.64 0.00 -1.00 5.54 1.57 -1.51 -1.13 116.57 128.68 3h3x h LYS 176 Ca -0.43 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.59 3h3x h LYS 176 Cb 1.20 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 3h3x h LYS 176 CO 0.93 0.00 0.65 -0.07 -0.57 0.00 0.00 179.45 180.39 3h3x h LEU 177 N 0.00 0.48 0.00 2.94 3.38 -1.90 -2.30 115.31 117.91 3h3x h LEU 177 Ca 0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3h3x h LEU 177 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3h3x h LEU 177 CO -0.00 0.13 -1.21 0.49 0.09 0.00 0.00 178.44 177.94 3h3x n PHE 178 N -4.61 0.00 -0.68 1.13 3.72 -0.73 -4.77 117.46 111.52 3h3x n PHE 178 Ca 0.24 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.71 3h3x n PHE 178 Cb 0.80 -0.14 0.17 0.00 -0.94 0.00 0.00 39.48 39.37 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 -1.95 0.48 0.45 1.38 4.01 -0.51 -3.46 117.16 117.56 3h3x n TYR 179 Ca -0.04 -0.76 0.13 0.00 -0.16 0.00 0.00 57.90 57.07 3h3x n TYR 179 Cb 0.43 -0.17 0.45 0.00 -0.31 0.00 0.00 39.34 39.74 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 1.17 0.00 -4.66 2.72 0.00 -1.61 -3.42 103.07 97.28 3h3x h GLY 180 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3h3x h GLY 180 CO 0.09 0.00 -0.83 -0.54 0.00 0.00 0.00 176.54 175.26 3h3x s GLU 181 N -3.27 1.28 0.38 4.80 2.02 -1.26 -5.07 118.70 117.58 3h3x s GLU 181 Ca 0.06 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.97 3h3x s GLU 181 Cb 0.10 -1.33 -0.09 0.00 0.10 0.00 0.00 34.13 32.91 3h3x s GLU 181 CO 0.52 0.34 1.24 -0.51 0.02 0.00 0.00 175.26 176.87 3h3x s LEU 182 N -0.98 4.27 0.15 1.80 1.43 -1.26 -2.30 118.68 121.79 3h3x s LEU 182 Ca 0.06 2.53 -0.17 0.00 -1.03 0.00 0.00 54.13 55.52 3h3x s LEU 182 Cb -0.08 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.30 3h3x s LEU 182 CO 0.01 -0.68 1.76 0.58 0.23 0.00 0.00 176.35 178.25 3h3x h VAL 183 N 2.57 0.94 -0.77 -1.59 2.07 -0.87 -2.49 116.25 116.11 3h3x h VAL 183 Ca -0.49 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.06 3h3x h VAL 183 Cb 1.24 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3h3x h VAL 183 CO 0.63 0.05 0.36 -0.74 0.02 0.00 0.00 177.57 177.89 3h3x h HIS 184 N 0.28 0.63 0.00 1.57 6.17 -1.70 -1.83 115.15 120.26 3h3x h HIS 184 Ca 0.14 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.26 3h3x h HIS 184 Cb 0.09 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 29.86 3h3x h HIS 184 CO -0.12 0.15 -0.00 -0.44 0.71 0.00 0.00 177.93 178.22 3h3x h ASP 185 N 0.54 0.00 -0.38 3.26 3.32 -1.74 -2.40 116.42 119.03 3h3x h ASP 185 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3h3x h ASP 185 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3h3x h ASP 185 CO -0.35 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.76 3h3x n ASN 186 N -3.46 3.86 -4.69 6.45 3.02 -0.70 -5.02 115.26 114.72 3h3x n ASN 186 Ca -0.03 -2.59 -0.42 0.00 -0.03 0.00 0.00 54.58 51.51 3h3x n ASN 186 Cb 0.08 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 4.76 0.06 0.00 0.00 -0.02 -1.26 -0.92 135.00 137.62 3h3x n PRO 188 Ca 0.07 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 3h3x n PRO 188 Cb 0.49 -1.68 0.20 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.80 0.46 -0.32 -0.52 1.74 -1.26 -4.42 116.66 110.54 3h3x n ARG 189 Ca 0.00 -0.31 0.15 0.00 -0.77 0.00 0.00 57.85 56.92 3h3x n ARG 189 Cb 0.05 -1.49 0.33 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.75 0.41 -1.73 0.55 5.85 -1.33 0.14 115.31 119.95 3h3x h LEU 190 Ca 0.00 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3h3x h LEU 190 Cb 0.54 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3h3x h LEU 190 CO 0.00 0.02 0.26 -0.65 -0.34 0.00 0.00 178.44 177.73 3h3x h PRO 191 N 0.44 0.33 -0.17 5.25 0.11 -1.82 0.84 132.00 136.98 3h3x h PRO 191 Ca 0.59 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.65 3h3x h PRO 191 Cb 1.13 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3h3x h PRO 191 CO -0.52 0.22 0.00 0.45 -0.21 0.00 0.00 178.00 177.94 3h3x h HIS 192 N 0.34 0.33 -0.21 0.65 3.86 -1.06 -2.07 115.15 117.00 3h3x h HIS 192 Ca 0.17 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3h3x h HIS 192 Cb 0.23 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 3h3x h HIS 192 CO -0.00 0.51 -0.21 0.35 0.86 0.00 0.00 177.93 179.45 3h3x h PHE 193 N 0.06 -0.54 0.00 2.45 3.04 -0.91 -0.14 116.94 120.89 3h3x h PHE 193 Ca 0.05 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 3h3x h PHE 193 Cb 0.38 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.16 3h3x h PHE 193 CO 0.03 -0.28 -0.02 0.93 -2.02 0.00 0.00 178.31 176.95 3h3x h GLU 194 N -0.22 0.00 -0.25 1.11 5.08 -0.77 -1.65 114.58 117.88 3h3x h GLU 194 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3h3x h GLU 194 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h3x h GLU 194 CO -0.34 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.69 3h3x n ALA 195 N -2.49 2.48 -3.77 3.43 0.00 -0.79 -4.94 120.51 114.44 3h3x n ALA 195 Ca -0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.48 3h3x n ALA 195 Cb 0.10 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 0.66 -5.40 -4.27 0.00 7.64 -0.62 -4.97 113.62 106.66 3h3x n SER 196 Ca 0.17 -0.68 -0.44 0.00 1.01 0.00 0.00 58.87 58.93 3h3x n SER 196 Cb 0.40 -4.40 -0.06 0.00 -1.01 0.00 0.00 64.21 59.14 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 -6.46 2.81 -0.01 1.43 2.02 -0.15 -5.03 118.70 113.30 3h3x s GLU 197 Ca 0.61 -1.76 0.07 0.00 0.02 0.00 0.00 54.97 53.91 3h3x s GLU 197 Cb -0.29 -4.15 -0.03 0.00 0.10 0.00 0.00 34.13 29.76 3h3x s GLU 197 CO 0.79 -1.28 -0.21 -0.06 0.02 0.00 0.00 175.26 174.52 3h3x s PHE 198 N 1.45 2.50 -0.03 1.61 0.08 -1.26 -2.15 117.98 120.18 3h3x s PHE 198 Ca 0.05 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 3h3x s PHE 198 Cb -0.28 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3h3x s PHE 198 CO 0.01 0.12 1.23 0.00 -0.10 0.00 0.00 175.22 176.48 3h3x s ALA 199 N -0.75 3.49 -0.44 5.36 0.00 -0.81 -4.89 121.76 123.72 3h3x s ALA 199 Ca 0.12 0.70 0.23 0.00 0.00 0.00 0.00 51.96 53.01 3h3x s ALA 199 Cb -0.10 -3.52 0.34 0.00 0.00 0.00 0.00 23.12 19.84 3h3x s ALA 199 CO 0.01 -0.73 1.55 -1.00 0.00 0.00 0.00 175.76 175.59 3h3x h PRO 200 N 7.41 0.00 -2.89 0.00 0.13 -1.94 -3.39 132.00 131.32 3h3x h PRO 200 Ca -0.36 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3h3x h PRO 200 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3h3x h PRO 200 CO 0.87 0.00 0.26 -1.54 -0.23 0.00 0.00 178.00 177.37 3h3x s SER 201 N -5.95 -0.41 0.49 1.44 1.04 -1.26 -4.93 113.70 104.13 3h3x s SER 201 Ca 0.06 -0.26 0.28 0.00 0.48 0.00 0.00 55.95 56.52 3h3x s SER 201 Cb 0.06 0.62 1.15 0.00 0.10 0.00 0.00 66.02 67.96 3h3x s SER 201 CO 0.68 -1.07 1.92 -0.26 0.98 0.00 0.00 173.24 175.48 3h3x h PHE 202 N 2.00 0.00 -0.01 5.02 0.04 -1.98 -2.98 116.94 119.03 3h3x h PHE 202 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 3h3x h PHE 202 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 3h3x h PHE 202 CO 0.32 0.13 -0.49 -0.40 -0.60 0.00 0.00 178.31 177.27 3h3x n ASP 203 N -3.30 1.25 -4.72 2.17 5.75 -1.26 -4.71 116.55 111.73 3h3x n ASP 203 Ca 0.00 -1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 53.46 3h3x n ASP 203 Cb 0.36 0.40 0.11 0.00 -1.03 0.00 0.00 41.12 40.97 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 -2.66 3.93 0.29 -1.12 1.04 -1.13 -4.90 113.70 109.16 3h3x s SER 204 Ca 0.18 2.18 -0.03 0.00 0.48 0.00 0.00 55.95 58.76 3h3x s SER 204 Cb 0.18 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 64.14 3h3x s SER 204 CO 0.62 -2.43 1.96 -0.33 0.98 0.00 0.00 173.24 174.04 3h3x h GLU 205 N -0.91 1.13 -0.59 4.02 4.39 -1.93 -2.46 114.58 118.23 3h3x h GLU 205 Ca -0.45 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.27 3h3x h GLU 205 Cb 1.27 -0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 3h3x h GLU 205 CO 0.48 0.75 0.21 0.93 -1.16 0.00 0.00 179.01 180.22 3h3x h GLU 206 N 1.17 0.38 -0.65 2.33 3.07 -1.91 0.87 114.58 119.84 3h3x h GLU 206 Ca 0.33 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3h3x h GLU 206 Cb -0.11 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.69 3h3x h GLU 206 CO -0.08 0.25 0.40 0.00 -1.40 0.00 0.00 179.01 178.18 3h3x h ALA 207 N 1.40 0.83 -0.26 3.43 0.00 -1.71 -1.56 119.26 121.41 3h3x h ALA 207 Ca 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3h3x h ALA 207 Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h3x h ALA 207 CO -0.30 0.31 0.07 0.87 0.00 0.00 0.00 179.25 180.21 3h3x h LYS 208 N 0.89 0.36 -0.19 0.00 1.57 -0.81 -1.63 116.57 116.76 3h3x h LYS 208 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h3x h LYS 208 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3h3x h LYS 208 CO -0.04 0.33 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 3h3x n LYS 209 N -4.40 1.52 -2.62 3.15 5.02 0.20 -4.91 118.16 116.12 3h3x n LYS 209 Ca 0.01 -0.79 -0.10 0.00 -2.02 0.00 0.00 58.31 55.40 3h3x n LYS 209 Cb 0.15 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.92 0.12 3.78 0.72 0.00 -0.61 -5.03 105.19 105.10 3h3x n GLY 210 Ca 0.11 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.83 2.76 0.28 1.61 0.40 -0.74 -4.91 117.98 114.54 3h3x s PHE 211 Ca 0.14 1.53 -0.29 0.00 -0.60 0.00 0.00 56.93 57.70 3h3x s PHE 211 Cb -0.06 -3.07 -0.13 0.00 0.51 0.00 0.00 43.02 40.27 3h3x s PHE 211 CO 0.18 -1.52 1.24 0.00 0.70 0.00 0.00 175.22 175.81 3h3x n LEU 213 N 1.43 4.64 -0.18 0.00 4.77 -1.26 -1.91 117.00 124.48 3h3x n LEU 213 Ca 0.09 -2.37 -0.10 0.00 -0.03 0.00 0.00 56.01 53.59 3h3x n LEU 213 Cb 0.32 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3h3x n LEU 213 CO 0.62 0.58 0.74 0.22 -1.33 0.00 0.00 177.39 178.22 3h3x h TYR 214 N 2.53 1.11 0.00 -1.77 3.20 -1.89 -1.74 116.97 118.41 3h3x h TYR 214 Ca 0.08 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3h3x h TYR 214 Cb 1.70 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.70 3h3x h TYR 214 CO 0.85 1.04 0.00 -1.91 -1.64 0.00 0.00 178.16 176.50 3h3x n GLU 215 N -4.18 0.04 -0.83 1.82 2.13 -1.26 -1.79 120.64 116.57 3h3x n GLU 215 Ca 0.01 0.15 0.03 0.00 0.66 0.00 0.00 57.16 58.01 3h3x n GLU 215 Cb 0.40 -1.50 0.33 0.00 0.27 0.00 0.00 31.44 30.94 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 -1.47 5.37 0.00 4.31 4.77 -0.69 -4.86 117.00 124.44 3h3x n LEU 216 Ca 0.05 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 3h3x n LEU 216 Cb 0.22 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3h3x n LEU 216 CO 0.18 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3h3x n GLY 217 N 0.04 0.75 3.69 -0.72 0.00 -0.74 -4.24 105.19 103.98 3h3x n GLY 217 Ca 0.31 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.81 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 6.11 3.08 -0.22 0.00 4.76 -0.75 -4.49 118.16 126.64 3h3x n LYS 219 Ca 0.24 -2.33 -0.01 0.00 -2.87 0.00 0.00 58.31 53.34 3h3x n LYS 219 Cb 0.23 -1.72 0.06 0.00 -1.84 0.00 0.00 35.03 31.76 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 4.51 0.39 2.00 0.72 0.00 -1.89 -1.40 103.07 107.39 3h3x h GLY 220 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3h3x h GLY 220 CO 0.15 -0.25 0.00 -1.05 0.00 0.00 0.00 176.54 175.39 3h3x n PRO 221 N -5.45 0.05 -0.03 4.80 -0.02 -1.26 -2.34 135.00 130.75 3h3x n PRO 221 Ca 0.08 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.06 3h3x n PRO 221 Cb 0.35 -1.64 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.74 1.12 -4.85 -1.45 0.24 -0.57 -4.92 118.33 106.16 3h3x n VAL 222 Ca 0.00 -1.21 -0.33 0.00 -2.04 0.00 0.00 64.34 60.76 3h3x n VAL 222 Cb 0.06 0.35 -0.14 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.36 2.93 -0.35 3.34 2.01 -0.96 -5.01 115.64 116.25 3h3x s THR 223 Ca 0.08 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 3h3x s THR 223 Cb 0.07 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3h3x s THR 223 CO 0.01 0.54 0.31 -0.31 -0.69 0.00 0.00 174.62 174.47 3h3x s TYR 224 N 0.20 3.22 0.02 4.92 1.51 -1.26 -0.52 117.35 125.44 3h3x s TYR 224 Ca -0.09 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 3h3x s TYR 224 Cb -0.15 -2.58 0.10 0.00 -0.11 0.00 0.00 41.96 39.21 3h3x s TYR 224 CO 0.05 -0.42 1.09 1.21 -1.11 0.00 0.00 175.55 176.38 3h3x s ASN 225 N 1.73 -0.16 -0.07 2.29 3.84 -0.97 -4.83 114.94 116.76 3h3x s ASN 225 Ca 0.09 -0.19 0.12 0.00 0.21 0.00 0.00 52.86 53.09 3h3x s ASN 225 Cb -0.17 0.32 0.36 0.00 -0.55 0.00 0.00 41.25 41.21 3h3x s ASN 225 CO 0.11 -0.57 1.29 -0.46 -2.79 0.00 0.00 177.10 174.69 3h3x n ASN 226 N -0.39 3.19 -0.38 -4.21 0.23 -1.23 -3.98 115.26 108.50 3h3x n ASN 226 Ca -0.06 -2.41 -0.06 0.00 -0.53 0.00 0.00 54.58 51.52 3h3x n ASN 226 Cb 0.61 -0.34 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 3h3x n ASN 226 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h3x h PRO 228 N 0.00 0.00 0.20 0.00 0.13 -1.88 0.35 132.00 130.80 3h3x h PRO 228 Ca 0.24 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.05 3h3x h PRO 228 Cb 0.47 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.63 3h3x h PRO 228 CO -0.91 0.00 -1.38 0.87 -0.23 0.00 0.00 178.00 176.35 3h3x h LYS 229 N 0.00 0.50 0.00 0.86 1.57 -1.49 -3.39 116.57 114.62 3h3x h LYS 229 Ca 0.00 -0.81 0.00 0.00 -1.87 0.00 0.00 60.65 57.97 3h3x h LYS 229 Cb 0.59 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3h3x h LYS 229 CO 0.00 1.38 -1.21 1.33 -0.57 0.00 0.00 179.45 180.38 3h3x n VAL 230 N -3.70 0.00 -1.32 0.50 0.24 -0.78 -5.11 118.33 108.16 3h3x n VAL 230 Ca -0.14 -0.25 0.17 0.00 -2.04 0.00 0.00 64.34 62.08 3h3x n VAL 230 Cb 1.06 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.70 -0.72 -4.58 1.34 4.77 0.12 -4.73 117.00 111.50 3h3x n LEU 231 Ca -0.01 1.63 -0.32 0.00 -0.03 0.00 0.00 56.01 57.28 3h3x n LEU 231 Cb 0.25 -4.19 -0.11 0.00 -2.33 0.00 0.00 43.42 37.04 3h3x n LEU 231 CO 0.22 -2.97 -0.39 -0.36 -1.33 0.00 0.00 177.39 172.56 3h3x s PHE 232 N -2.81 2.87 -1.12 -1.77 0.08 0.96 -4.61 117.98 111.58 3h3x s PHE 232 Ca 0.00 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.00 3h3x s PHE 232 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 3h3x s PHE 232 CO 0.00 0.35 0.00 0.09 -0.10 0.00 0.00 175.22 175.56 3h3x n ASN 233 N 1.66 -3.49 -0.56 1.36 4.13 -1.26 -1.33 115.26 115.78 3h3x n ASN 233 Ca -0.16 0.25 -0.07 0.00 1.68 0.00 0.00 54.58 56.27 3h3x n ASN 233 Cb 0.53 -3.11 -0.03 0.00 -1.54 0.00 0.00 39.78 35.63 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 -2.34 -1.28 0.00 3.52 3.00 -1.26 -4.80 117.38 114.22 3h3x n GLN 234 Ca -0.13 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3h3x n GLN 234 Cb 0.51 -4.81 0.00 0.00 0.00 0.00 0.00 30.24 25.94 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 -2.40 0.00 -3.76 5.09 0.24 -0.44 -5.08 118.33 111.97 3h3x n VAL 235 Ca -0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3h3x n VAL 235 Cb 0.43 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.28 -0.27 0.20 -1.34 3.84 -0.98 -4.97 114.94 111.14 3h3x s ASN 236 Ca 0.00 -0.45 -0.16 0.00 0.21 0.00 0.00 52.86 52.46 3h3x s ASN 236 Cb 0.00 0.62 0.02 0.00 -0.55 0.00 0.00 41.25 41.34 3h3x s ASN 236 CO 0.00 -1.12 0.49 -1.66 -2.79 0.00 0.00 177.10 172.02 3h3x s TRP 237 N -3.65 -0.00 0.16 0.43 1.48 -1.26 -0.03 118.94 116.07 3h3x s TRP 237 Ca 0.10 -0.35 -0.19 0.00 -1.06 0.00 0.00 56.10 54.61 3h3x s TRP 237 Cb -0.04 0.32 0.08 0.00 -1.16 0.00 0.00 33.47 32.67 3h3x s TRP 237 CO 0.03 -0.90 1.65 -1.35 -4.06 0.00 0.00 176.95 172.31 3h3x h PRO 238 N 2.25 -0.09 -0.52 3.25 0.11 -1.95 -1.35 132.00 133.70 3h3x h PRO 238 Ca -0.29 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3h3x h PRO 238 Cb 1.26 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3h3x h PRO 238 CO 0.38 -0.06 0.05 0.28 -0.21 0.00 0.00 178.00 178.44 3h3x h VAL 239 N -0.09 1.24 -0.30 3.15 2.07 -1.84 0.28 116.25 120.76 3h3x h VAL 239 Ca 0.18 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3h3x h VAL 239 Cb 0.37 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3h3x h VAL 239 CO -0.43 0.34 0.20 -0.61 0.02 0.00 0.00 177.57 177.09 3h3x h GLN 240 N 0.79 0.36 -0.86 1.57 4.15 -1.80 -0.78 115.11 118.55 3h3x h GLN 240 Ca 0.16 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3h3x h GLN 240 Cb 0.40 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3h3x h GLN 240 CO 0.01 0.24 0.07 0.00 -1.93 0.00 0.00 178.83 177.22 3h3x n ALA 241 N -2.50 3.30 -0.97 3.38 0.00 0.90 -4.89 120.51 119.73 3h3x n ALA 241 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3h3x n ALA 241 Cb 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.16 0.83 3.61 0.00 0.00 -0.30 -5.03 105.19 104.46 3h3x n GLY 242 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.38 3.02 0.68 1.61 5.04 -0.67 -4.95 115.29 116.64 3h3x s HIS 243 Ca 0.00 0.07 -0.17 0.00 -1.54 0.00 0.00 55.06 53.42 3h3x s HIS 243 Cb 0.00 -1.75 -0.01 0.00 0.04 0.00 0.00 32.58 30.87 3h3x s HIS 243 CO 0.00 0.37 1.06 -0.35 -2.34 0.00 0.00 174.74 173.47 3h3x n PRO 244 N 2.24 0.73 -2.27 2.88 -0.04 -1.26 -2.79 135.00 134.49 3h3x n PRO 244 Ca -0.18 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 3h3x n PRO 244 Cb 0.53 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 1.02 0.60 -0.80 0.00 4.77 -1.26 -1.82 117.00 119.51 3h3x n LEU 246 Ca -0.00 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 3h3x n LEU 246 Cb 0.43 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3h3x n LEU 246 CO 0.57 0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 177.36 3h3x n GLY 247 N 1.48 0.35 0.14 -0.72 0.00 -1.26 -4.80 105.19 100.37 3h3x n GLY 247 Ca 0.06 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.23 1.45 -4.88 0.00 3.41 -1.26 -3.77 113.62 106.35 3h3x n SER 249 Ca 0.01 -1.57 -0.35 0.00 -0.26 0.00 0.00 58.87 56.70 3h3x n SER 249 Cb 0.18 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.91 3.61 0.27 4.33 0.41 -0.47 -4.49 118.70 120.45 3h3x s GLU 250 Ca 0.36 -0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 3h3x s GLU 250 Cb 0.19 -3.10 -0.11 0.00 -1.78 0.00 0.00 34.13 29.33 3h3x s GLU 250 CO 0.30 0.66 1.62 -2.14 -0.49 0.00 0.00 175.26 175.21 3h3x s PRO 251 N -1.61 4.13 -1.61 0.39 0.02 -1.26 -2.29 135.00 132.76 3h3x s PRO 251 Ca 0.26 2.58 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 3h3x s PRO 251 Cb -0.13 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.36 3h3x s PRO 251 CO 0.14 -0.65 0.25 -0.25 -0.33 0.00 0.00 177.00 176.16 3h3x n ASP 252 N 2.55 -5.71 0.23 2.53 8.00 -1.26 -4.86 116.55 118.02 3h3x n ASP 252 Ca 0.10 -0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.55 3h3x n ASP 252 Cb 0.37 -4.71 0.59 0.00 -0.02 0.00 0.00 41.12 37.35 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 -0.56 0.04 -0.39 1.24 -0.00 -1.76 -0.81 116.94 114.71 3h3x h PHE 253 Ca -0.49 -0.00 0.11 0.00 -0.00 0.00 0.00 57.97 57.59 3h3x h PHE 253 Cb 1.35 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 37.27 3h3x h PHE 253 CO 0.57 0.07 0.36 -1.49 -0.00 0.00 0.00 178.31 177.82 3h3x h TRP 254 N 0.04 0.00 0.00 6.09 4.06 -1.89 0.64 115.95 124.89 3h3x h TRP 254 Ca 0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 3h3x h TRP 254 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3h3x h TRP 254 CO 0.00 0.00 -1.55 -0.25 -3.56 0.00 0.00 178.44 173.08 3h3x n ASP 255 N -3.93 2.43 -0.01 -3.49 8.00 -0.40 -4.37 116.55 114.77 3h3x n ASP 255 Ca 0.06 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.62 3h3x n ASP 255 Cb 0.54 1.39 -0.14 0.00 -0.02 0.00 0.00 41.12 42.89 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 -1.97 0.49 -0.17 -3.53 -2.24 -0.65 -4.20 114.28 102.00 3h3x n THR 256 Ca -0.05 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 3h3x n THR 256 Cb 0.38 -0.21 0.27 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.48 2.65 -4.06 -0.78 2.81 0.22 -4.97 117.12 110.52 3h3x n MET 257 Ca -0.10 -2.45 -0.29 0.00 -1.81 0.00 0.00 57.70 53.05 3h3x n MET 257 Cb 0.72 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.10 4.52 0.28 2.03 -4.23 -1.25 -3.81 115.64 112.08 3h3x s THR 258 Ca 0.42 -0.88 -0.30 0.00 -1.18 0.00 0.00 61.69 59.75 3h3x s THR 258 Cb 0.22 -3.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.72 3h3x s THR 258 CO 0.30 0.04 1.56 -2.65 -0.54 0.00 0.00 174.62 173.33 3h3x n PRO 259 N 0.18 2.59 0.26 3.99 -0.02 -1.26 -4.96 135.00 135.77 3h3x n PRO 259 Ca -0.08 0.92 0.17 0.00 -2.02 0.00 0.00 63.50 62.49 3h3x n PRO 259 Cb 0.53 -2.68 0.75 0.00 -0.02 0.00 0.00 33.50 32.07 3h3x n PRO 259 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3h3x h PHE 260 N 4.70 0.00 -0.55 6.00 0.04 -1.94 -2.58 116.94 122.62 3h3x h PHE 260 Ca -0.47 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.19 3h3x h PHE 260 Cb 1.23 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.31 3h3x h PHE 260 CO 0.58 0.00 0.12 0.66 -0.60 0.00 0.00 178.31 179.07 3h3x n TYR 261 N -2.94 1.88 -4.13 -0.55 4.01 -1.26 -4.36 117.16 109.82 3h3x n TYR 261 Ca 0.00 -1.07 -0.11 0.00 -0.16 0.00 0.00 57.90 56.55 3h3x n TYR 261 Cb 0.25 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.69 3h3x n TYR 261 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3h3x n GLU 262 N -0.20 0.28 0.00 -0.72 1.02 -0.97 -3.80 120.64 116.25 3h3x n GLU 262 Ca 0.33 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 3h3x n GLU 262 Cb 1.20 1.67 0.00 0.00 -0.02 0.00 0.00 31.44 34.29 3h3x n GLU 262 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h3x n GLN 263 N -0.38 3.90 0.00 3.49 1.13 -1.26 -4.13 117.38 120.13 3h3x n GLN 263 Ca 0.04 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.25 3h3x n GLN 263 Cb 0.37 -0.33 0.75 0.00 0.11 0.00 0.00 30.24 31.14 3h3x n GLN 263 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03