#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3x n SER 2 N 0.00 1.06 -0.33 3.17 7.64 -1.26 -4.61 113.62 119.30 1a3x n SER 2 Ca 0.00 -2.43 -0.03 0.00 1.01 0.00 0.00 58.87 57.41 1a3x n SER 2 Cb 0.00 -1.15 0.09 0.00 -1.01 0.00 0.00 64.21 62.13 1a3x n SER 2 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1a3x h ARG 3 N 10.83 1.17 -0.53 1.43 2.43 -2.04 0.80 114.38 128.47 1a3x h ARG 3 Ca 0.11 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1a3x h ARG 3 Cb 0.86 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1a3x h ARG 3 CO 1.44 0.78 -0.04 -0.07 -1.51 0.00 0.00 179.97 180.57 1a3x h LEU 4 N 1.20 0.90 0.00 3.80 -0.00 -1.98 0.55 115.31 119.79 1a3x h LEU 4 Ca 0.32 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1a3x h LEU 4 Cb -0.13 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.29 1a3x h LEU 4 CO -0.07 0.99 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.95 1a3x h GLU 5 N 0.84 0.00 0.20 1.13 4.39 -1.68 0.50 114.58 119.96 1a3x h GLU 5 Ca 0.15 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.57 1a3x h GLU 5 Cb 0.55 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1a3x h GLU 5 CO 0.03 0.00 -1.25 -0.09 -1.16 0.00 0.00 179.01 176.55 1a3x h ARG 6 N 0.00 0.42 0.25 2.33 2.43 0.13 -3.12 114.38 116.81 1a3x h ARG 6 Ca 0.00 -0.71 -0.01 0.00 -0.81 0.00 0.00 59.98 58.44 1a3x h ARG 6 Cb 0.76 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1a3x h ARG 6 CO 0.00 1.34 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.61 1a3x h LEU 7 N -0.09 -0.28 -0.46 3.80 4.07 0.28 -2.57 115.31 120.05 1a3x h LEU 7 Ca -0.23 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1a3x h LEU 7 Cb 1.93 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.75 1a3x h LEU 7 CO 0.20 0.12 0.01 0.41 -1.08 0.00 0.00 178.44 178.10 1a3x n THR 8 N -5.07 1.64 0.45 0.22 -1.04 0.17 -1.73 114.28 108.93 1a3x n THR 8 Ca -0.09 0.58 0.05 0.00 -2.04 0.00 0.00 64.05 62.55 1a3x n THR 8 Cb 0.26 -1.58 0.03 0.00 -1.82 0.00 0.00 70.33 67.22 1a3x n THR 8 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a3x n SER 9 N -1.74 1.66 0.00 8.00 7.64 -1.13 -4.79 113.62 123.27 1a3x n SER 9 Ca -0.00 -1.33 0.06 0.00 1.01 0.00 0.00 58.87 58.60 1a3x n SER 9 Cb 0.02 0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1a3x n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a3x n LEU 10 N 0.31 0.00 -1.94 -3.43 4.32 -0.70 -4.74 117.00 110.81 1a3x n LEU 10 Ca 0.06 0.22 -0.08 0.00 -0.02 0.00 0.00 56.01 56.18 1a3x n LEU 10 Cb 0.25 -0.05 0.01 0.00 -1.62 0.00 0.00 43.42 42.00 1a3x n LEU 10 CO 0.09 -0.22 -0.07 0.59 -1.22 0.00 0.00 177.39 176.56 1a3x n ASN 11 N -1.64 -1.25 -3.26 -1.43 4.13 -1.26 -4.87 115.26 105.68 1a3x n ASN 11 Ca 0.05 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1a3x n ASN 11 Cb 0.45 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1a3x n ASN 11 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1a3x n VAL 12 N -0.32 0.00 -0.82 2.41 0.24 -1.26 -4.97 118.33 113.61 1a3x n VAL 12 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1a3x n VAL 12 Cb 0.16 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 1a3x n VAL 12 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1a3x n VAL 13 N -2.17 -1.76 -1.68 3.34 0.31 -1.26 -4.90 118.33 110.21 1a3x n VAL 13 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.86 1a3x n VAL 13 Cb 0.00 -2.51 -0.04 0.00 -0.91 0.00 0.00 33.84 30.37 1a3x n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a3x n ALA 14 N 0.37 0.99 -1.86 3.52 0.00 -1.26 -4.95 120.51 117.32 1a3x n ALA 14 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1a3x n ALA 14 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1a3x n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 15 N 4.46 1.77 0.13 0.00 0.00 -1.26 -5.03 105.19 105.26 1a3x n GLY 15 Ca 0.22 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 1a3x n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a3x h SER 16 N 0.00 0.16 -3.00 1.61 4.64 -2.00 -3.47 113.55 111.49 1a3x h SER 16 Ca 0.00 -0.11 -0.56 0.00 -0.47 0.00 0.00 61.79 60.65 1a3x h SER 16 Cb 0.00 -0.05 0.08 0.00 -0.31 0.00 0.00 62.40 62.13 1a3x h SER 16 CO 0.00 0.84 0.76 0.47 -0.87 0.00 0.00 176.83 178.03 1a3x n ASP 17 N -3.73 3.35 -4.77 4.97 8.00 -1.26 -4.97 116.55 118.16 1a3x n ASP 17 Ca -0.02 1.14 -0.39 0.00 0.71 0.00 0.00 54.79 56.23 1a3x n ASP 17 Cb 0.71 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 1a3x n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a3x s LEU 18 N -0.20 4.44 0.30 0.64 1.02 -1.26 -4.98 118.68 118.64 1a3x s LEU 18 Ca 0.66 2.13 -0.30 0.00 0.02 0.00 0.00 54.13 56.64 1a3x s LEU 18 Cb -0.57 -3.81 -0.12 0.00 0.02 0.00 0.00 46.19 41.71 1a3x s LEU 18 CO 0.49 -0.19 1.45 -1.14 0.02 0.00 0.00 176.35 176.98 1a3x n ARG 19 N 0.83 2.35 -0.01 1.70 0.63 -1.26 -4.91 116.66 116.00 1a3x n ARG 19 Ca 0.01 0.83 0.08 0.00 -0.92 0.00 0.00 57.85 57.85 1a3x n ARG 19 Cb 0.47 -2.52 -0.12 0.00 0.45 0.00 0.00 32.46 30.73 1a3x n ARG 19 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1a3x n ARG 20 N 1.54 0.68 -3.37 -0.14 1.74 -1.26 -4.94 116.66 110.90 1a3x n ARG 20 Ca 0.08 -0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 1a3x n ARG 20 Cb 0.35 -1.37 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1a3x n ARG 20 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a3x s THR 21 N -3.04 5.17 0.37 0.55 2.01 -1.26 0.09 115.64 119.53 1a3x s THR 21 Ca -0.04 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.30 1a3x s THR 21 Cb 0.11 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1a3x s THR 21 CO 0.67 0.16 1.31 -0.44 -0.69 0.00 0.00 174.62 175.63 1a3x s SER 22 N 1.58 6.52 -0.39 3.53 0.01 -1.24 -4.85 113.70 118.86 1a3x s SER 22 Ca 0.16 2.67 -0.12 0.00 1.31 0.00 0.00 55.95 59.98 1a3x s SER 22 Cb -0.16 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.47 1a3x s SER 22 CO 0.10 -0.71 0.24 -0.63 0.41 0.00 0.00 173.24 172.65 1a3x s ILE 23 N -1.21 4.70 -0.02 1.44 1.01 -1.26 -1.82 121.20 124.04 1a3x s ILE 23 Ca 0.53 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 1a3x s ILE 23 Cb -0.39 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1a3x s ILE 23 CO 0.51 -0.30 0.76 -0.63 0.00 0.00 0.00 174.94 175.28 1a3x s ILE 24 N 1.57 4.91 -0.08 2.92 1.01 0.35 -1.57 121.20 130.31 1a3x s ILE 24 Ca 0.03 1.60 -0.02 0.00 0.00 0.00 0.00 60.65 62.26 1a3x s ILE 24 Cb -0.20 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1a3x s ILE 24 CO 0.07 0.28 0.02 -0.83 0.00 0.00 0.00 174.94 174.48 1a3x s GLY 25 N 0.51 0.42 0.45 6.18 0.00 -0.50 -0.74 107.32 113.65 1a3x s GLY 25 Ca 0.40 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.79 1a3x s GLY 25 CO 0.21 1.24 1.20 -1.59 0.00 0.00 0.00 173.10 174.16 1a3x s THR 26 N 2.02 2.96 -0.12 0.90 2.01 0.67 -1.86 115.64 122.22 1a3x s THR 26 Ca 0.05 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1a3x s THR 26 Cb -0.13 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1a3x s THR 26 CO -0.05 0.02 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.14 1a3x s ILE 27 N -1.46 3.04 0.52 1.82 -1.09 -0.66 -2.95 121.20 120.42 1a3x s ILE 27 Ca 0.62 -0.67 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 1a3x s ILE 27 Cb -0.31 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1a3x s ILE 27 CO 0.38 0.53 0.47 -0.83 -1.23 0.00 0.00 174.94 174.26 1a3x s GLY 28 N 0.24 2.20 0.22 6.18 0.00 -1.24 -4.76 107.32 110.16 1a3x s GLY 28 Ca -0.09 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 42.97 1a3x s GLY 28 CO 0.05 -1.84 1.70 -2.55 0.00 0.00 0.00 173.10 170.46 1a3x h PRO 29 N 0.71 0.25 0.12 2.90 0.11 -1.93 -0.24 132.00 133.92 1a3x h PRO 29 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1a3x h PRO 29 Cb 1.29 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1a3x h PRO 29 CO 0.54 0.16 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.96 1a3x h LYS 30 N 0.25 -0.47 0.00 1.05 3.11 -1.91 -2.00 116.57 116.60 1a3x h LYS 30 Ca 0.34 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.21 1a3x h LYS 30 Cb 0.53 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1a3x h LYS 30 CO -0.44 -0.31 0.00 0.25 -2.81 0.00 0.00 179.45 176.14 1a3x n THR 31 N -4.26 1.61 -2.58 1.00 -2.24 -0.79 -4.52 114.28 102.49 1a3x n THR 31 Ca -0.06 0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 61.90 1a3x n THR 31 Cb 0.26 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 1a3x n THR 31 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a3x s ASN 32 N -3.40 6.43 0.00 3.42 2.47 -0.17 -4.14 114.94 119.55 1a3x s ASN 32 Ca -0.01 -1.28 0.00 0.00 0.42 0.00 0.00 52.86 51.99 1a3x s ASN 32 Cb 0.03 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1a3x s ASN 32 CO 0.08 -1.55 0.00 -0.46 -3.72 0.00 0.00 177.10 171.45 1a3x n ASN 33 N 8.83 0.00 0.23 -4.21 6.94 -1.26 -5.00 115.26 120.78 1a3x n ASN 33 Ca 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.64 1a3x n ASN 33 Cb 0.50 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.83 1a3x n ASN 33 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1a3x h PRO 34 N 0.00 -0.87 -0.88 -0.53 0.11 -1.89 -0.74 132.00 127.20 1a3x h PRO 34 Ca 0.00 0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.30 1a3x h PRO 34 Cb 0.00 0.20 -0.14 0.00 0.11 0.00 0.00 31.00 31.17 1a3x h PRO 34 CO 0.00 -0.58 -0.40 0.93 -0.21 0.00 0.00 178.00 177.74 1a3x h GLU 35 N -0.91 -0.05 0.03 1.05 3.07 -1.96 0.42 114.58 116.24 1a3x h GLU 35 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1a3x h GLU 35 Cb 0.83 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1a3x h GLU 35 CO -0.14 -0.04 -0.02 1.15 -1.40 0.00 0.00 179.01 178.57 1a3x h THR 36 N -0.05 1.21 -0.23 1.13 2.02 -1.87 -2.06 112.91 113.06 1a3x h THR 36 Ca 0.29 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1a3x h THR 36 Cb 0.57 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1a3x h THR 36 CO -0.90 0.20 0.53 -0.07 0.37 0.00 0.00 175.52 175.66 1a3x h LEU 37 N -0.40 0.00 0.00 2.58 -0.00 0.35 0.24 115.31 118.09 1a3x h LEU 37 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1a3x h LEU 37 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1a3x h LEU 37 CO 0.01 0.00 -0.58 0.58 -0.00 0.00 0.00 178.44 178.45 1a3x h VAL 38 N 0.00 0.60 -1.05 1.22 2.07 0.15 -2.51 116.25 116.73 1a3x h VAL 38 Ca 0.11 -1.61 0.30 0.00 0.82 0.00 0.00 66.70 66.32 1a3x h VAL 38 Cb 1.16 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1a3x h VAL 38 CO -0.00 0.20 0.75 0.00 0.02 0.00 0.00 177.57 178.54 1a3x h ALA 39 N -0.67 2.92 0.06 1.67 0.00 -0.57 0.79 119.26 123.46 1a3x h ALA 39 Ca -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a3x h ALA 39 Cb 0.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a3x h ALA 39 CO -0.07 -1.23 -0.03 -0.07 0.00 0.00 0.00 179.25 177.85 1a3x h LEU 40 N 0.04 -0.06 -0.63 0.00 4.07 -1.10 -2.14 115.31 115.48 1a3x h LEU 40 Ca 0.51 -0.54 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1a3x h LEU 40 Cb 1.96 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 43.69 1a3x h LEU 40 CO -0.03 0.55 0.21 0.03 -1.08 0.00 0.00 178.44 178.11 1a3x h ARG 41 N -0.72 0.98 -0.42 1.13 3.08 -0.24 -0.03 114.38 118.16 1a3x h ARG 41 Ca -0.01 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1a3x h ARG 41 Cb 0.60 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1a3x h ARG 41 CO 0.01 0.86 0.24 0.87 -1.07 0.00 0.00 179.97 180.88 1a3x h LYS 42 N 0.91 0.48 0.00 0.04 1.57 0.37 -2.21 116.57 117.72 1a3x h LYS 42 Ca 0.21 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1a3x h LYS 42 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1a3x h LYS 42 CO -0.01 0.32 -0.11 0.00 -0.57 0.00 0.00 179.45 179.08 1a3x h ALA 43 N 1.19 1.33 0.00 3.86 0.00 -1.16 -3.45 119.26 121.03 1a3x h ALA 43 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a3x h ALA 43 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a3x h ALA 43 CO -0.08 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1a3x n GLY 44 N -0.76 0.27 3.68 0.00 0.00 -0.83 -4.56 105.19 102.99 1a3x n GLY 44 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1a3x n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a3x n LEU 45 N 0.00 3.31 -0.03 0.99 7.94 -0.08 -4.30 117.00 124.83 1a3x n LEU 45 Ca 0.00 1.08 -0.04 0.00 -1.11 0.00 0.00 56.01 55.93 1a3x n LEU 45 Cb 0.00 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 42.47 1a3x n LEU 45 CO 0.00 -0.18 -0.34 0.59 -1.11 0.00 0.00 177.39 176.36 1a3x n ASN 46 N 3.61 1.21 -4.66 1.96 4.13 -0.61 -4.50 115.26 116.39 1a3x n ASN 46 Ca 0.17 0.19 -0.30 0.00 1.68 0.00 0.00 54.58 56.32 1a3x n ASN 46 Cb 0.30 -0.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.92 1a3x n ASN 46 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a3x s ILE 47 N -2.17 3.89 -0.02 2.41 1.01 -1.17 -3.34 121.20 121.82 1a3x s ILE 47 Ca -0.14 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.50 1a3x s ILE 47 Cb 0.02 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1a3x s ILE 47 CO 0.21 0.13 -0.09 -0.69 0.00 0.00 0.00 174.94 174.50 1a3x s VAL 48 N -1.28 3.50 -0.03 2.92 1.01 0.77 -1.41 120.40 125.88 1a3x s VAL 48 Ca 0.25 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1a3x s VAL 48 Cb -0.12 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1a3x s VAL 48 CO 0.17 0.46 -0.18 -0.60 0.00 0.00 0.00 175.10 174.95 1a3x s ARG 49 N -1.19 1.68 -0.27 2.72 3.52 -0.78 -2.17 118.95 122.46 1a3x s ARG 49 Ca 0.15 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1a3x s ARG 49 Cb -0.11 -1.54 0.05 0.00 -1.56 0.00 0.00 34.95 31.80 1a3x s ARG 49 CO 0.05 0.34 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.17 1a3x s MET 50 N -0.24 2.34 -0.47 5.12 -1.94 -0.72 -1.65 119.30 121.74 1a3x s MET 50 Ca 0.02 -1.30 -0.28 0.00 -1.71 0.00 0.00 55.69 52.42 1a3x s MET 50 Cb -0.09 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.75 1a3x s MET 50 CO 0.01 -0.58 1.46 1.21 -0.01 0.00 0.00 175.02 177.10 1a3x s ASN 51 N 1.17 6.19 0.00 3.03 2.47 -1.26 -1.82 114.94 124.71 1a3x s ASN 51 Ca -0.07 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.86 1a3x s ASN 51 Cb -0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 1a3x s ASN 51 CO -0.04 -1.59 0.66 0.49 -3.72 0.00 0.00 177.10 172.91 1a3x n PHE 52 N 9.35 0.00 0.14 0.43 3.01 -0.89 -3.29 117.46 126.20 1a3x n PHE 52 Ca 0.16 -0.23 0.07 0.00 1.01 0.00 0.00 57.45 58.45 1a3x n PHE 52 Cb 0.48 -0.16 0.05 0.00 -0.01 0.00 0.00 39.48 39.84 1a3x n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a3x h SER 53 N 0.23 0.00 -5.34 4.37 0.02 -1.85 -3.34 113.55 107.64 1a3x h SER 53 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1a3x h SER 53 Cb 0.66 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.06 1a3x h SER 53 CO 0.00 0.26 -0.50 -1.00 -1.14 0.00 0.00 176.83 174.45 1a3x s HIS 54 N -3.11 0.63 0.00 3.45 3.76 -1.21 -5.03 115.29 113.78 1a3x s HIS 54 Ca 0.03 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 1a3x s HIS 54 Cb 0.07 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1a3x s HIS 54 CO 0.74 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 1a3x n GLY 55 N -0.14 0.98 3.91 -2.22 0.00 -1.26 -4.91 105.19 101.55 1a3x n GLY 55 Ca -0.07 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1a3x n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a3x s SER 56 N -0.46 5.74 0.20 1.61 1.04 -1.26 -4.84 113.70 115.73 1a3x s SER 56 Ca 0.00 0.80 0.16 0.00 0.48 0.00 0.00 55.95 57.39 1a3x s SER 56 Cb 0.00 -1.85 0.80 0.00 0.10 0.00 0.00 66.02 65.07 1a3x s SER 56 CO 0.00 -0.98 1.49 -1.22 0.98 0.00 0.00 173.24 173.51 1a3x n TYR 57 N -2.55 0.50 -0.01 5.02 4.02 -1.26 0.13 117.16 123.01 1a3x n TYR 57 Ca 0.04 0.24 -0.17 0.00 -0.01 0.00 0.00 57.90 58.00 1a3x n TYR 57 Cb 0.57 -0.89 -0.14 0.00 -0.02 0.00 0.00 39.34 38.86 1a3x n TYR 57 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1a3x h GLU 58 N 0.00 0.15 -0.90 -0.72 4.57 -1.98 0.17 114.58 115.87 1a3x h GLU 58 Ca 0.00 -0.25 0.23 0.00 -1.18 0.00 0.00 59.36 58.16 1a3x h GLU 58 Cb 0.09 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 1a3x h GLU 58 CO 0.00 1.12 0.62 1.88 -1.18 0.00 0.00 179.01 181.45 1a3x h TYR 59 N -0.69 0.30 0.00 0.92 -1.99 0.73 -2.71 116.97 113.53 1a3x h TYR 59 Ca -0.08 0.01 -0.24 0.00 2.00 0.00 0.00 58.73 60.42 1a3x h TYR 59 Cb 1.33 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.93 1a3x h TYR 59 CO 0.23 0.07 -1.75 0.72 -0.00 0.00 0.00 178.16 177.43 1a3x n HIS 60 N -4.41 0.08 -0.42 4.88 8.25 0.56 -4.27 115.22 119.89 1a3x n HIS 60 Ca 0.19 0.04 0.40 0.00 -0.26 0.00 0.00 57.72 58.08 1a3x n HIS 60 Cb 0.83 -0.78 0.69 0.00 1.12 0.00 0.00 29.99 31.85 1a3x n HIS 60 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1a3x h LYS 61 N -1.00 0.00 0.85 -0.41 3.11 -0.66 0.73 116.57 119.19 1a3x h LYS 61 Ca -0.36 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.44 1a3x h LYS 61 Cb 1.29 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.53 1a3x h LYS 61 CO -0.22 0.00 -0.41 0.66 -2.81 0.00 0.00 179.45 176.67 1a3x h SER 62 N 0.00 -0.97 -0.83 4.20 4.64 -1.68 -3.17 113.55 115.74 1a3x h SER 62 Ca 0.67 0.03 0.17 0.00 -0.47 0.00 0.00 61.79 62.19 1a3x h SER 62 Cb 3.00 0.25 -0.16 0.00 -0.31 0.00 0.00 62.40 65.18 1a3x h SER 62 CO -0.01 -0.68 -0.19 0.58 -0.87 0.00 0.00 176.83 175.66 1a3x h VAL 63 N -1.16 0.17 0.08 0.95 2.07 0.29 -2.52 116.25 116.14 1a3x h VAL 63 Ca -0.12 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1a3x h VAL 63 Cb 0.88 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1a3x h VAL 63 CO 0.19 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 178.08 1a3x h ILE 64 N 0.00 0.00 0.00 4.57 2.04 -1.48 -1.14 117.51 121.50 1a3x h ILE 64 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1a3x h ILE 64 Cb 0.63 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1a3x h ILE 64 CO -0.85 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 176.40 1a3x n ASP 65 N -2.92 0.00 0.03 1.72 5.68 -1.14 0.02 116.55 119.95 1a3x n ASP 65 Ca -0.02 0.12 -0.18 0.00 -0.50 0.00 0.00 54.79 54.21 1a3x n ASP 65 Cb 0.09 -0.21 -0.14 0.00 -1.14 0.00 0.00 41.12 39.71 1a3x n ASP 65 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1a3x h ASN 66 N 0.00 0.39 -0.09 -1.12 -0.26 -0.96 -0.85 115.58 112.68 1a3x h ASN 66 Ca 0.00 -0.67 -0.08 0.00 -0.56 0.00 0.00 56.30 55.00 1a3x h ASN 66 Cb 0.03 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1a3x h ASN 66 CO 0.00 1.58 -0.24 0.00 -1.06 0.00 0.00 177.43 177.71 1a3x h ALA 67 N 0.36 0.15 -0.49 -0.83 0.00 0.83 0.70 119.26 120.00 1a3x h ALA 67 Ca -0.33 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.29 1a3x h ALA 67 Cb 2.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1a3x h ALA 67 CO 0.13 0.14 0.33 0.00 0.00 0.00 0.00 179.25 179.85 1a3x h ARG 68 N -0.14 0.23 -0.29 0.00 2.47 -0.61 0.28 114.38 116.33 1a3x h ARG 68 Ca -0.00 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 1a3x h ARG 68 Cb 0.85 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1a3x h ARG 68 CO 0.05 0.15 -0.53 0.87 0.56 0.00 0.00 179.97 181.08 1a3x h LYS 69 N 0.24 0.84 -0.21 0.04 1.79 -0.57 -2.08 116.57 116.62 1a3x h LYS 69 Ca 0.23 -0.52 -0.08 0.00 -2.18 0.00 0.00 60.65 58.10 1a3x h LYS 69 Cb 0.58 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1a3x h LYS 69 CO -0.04 1.15 -0.21 0.66 -1.08 0.00 0.00 179.45 179.93 1a3x h SER 70 N 0.65 0.37 -0.71 0.86 4.64 0.18 -0.19 113.55 119.35 1a3x h SER 70 Ca 0.02 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1a3x h SER 70 Cb 1.13 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1a3x h SER 70 CO 0.12 0.59 0.28 -0.33 -0.87 0.00 0.00 176.83 176.62 1a3x h GLU 71 N 0.34 1.09 0.70 4.77 4.39 -0.57 -1.63 114.58 123.68 1a3x h GLU 71 Ca 0.06 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1a3x h GLU 71 Cb 0.57 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1a3x h GLU 71 CO 0.04 0.90 -0.34 0.93 -1.16 0.00 0.00 179.01 179.38 1a3x h GLU 72 N 1.06 -0.91 -1.02 2.33 5.08 -0.55 0.86 114.58 121.43 1a3x h GLU 72 Ca 0.24 0.06 0.28 0.00 -1.00 0.00 0.00 59.36 58.95 1a3x h GLU 72 Cb 0.22 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.55 1a3x h GLU 72 CO -0.02 -0.61 0.60 -0.07 -1.00 0.00 0.00 179.01 177.92 1a3x h LEU 73 N -1.23 0.59 -6.00 1.33 3.38 -1.02 -3.38 115.31 108.97 1a3x h LEU 73 Ca -0.10 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1a3x h LEU 73 Cb 0.72 0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.34 1a3x h LEU 73 CO 0.16 0.01 -0.08 -0.47 0.09 0.00 0.00 178.44 178.15 1a3x s TYR 74 N -5.69 -0.98 0.15 1.13 5.04 -0.62 -5.08 117.35 111.30 1a3x s TYR 74 Ca -0.10 0.81 -0.23 0.00 -2.44 0.00 0.00 57.07 55.11 1a3x s TYR 74 Cb 0.28 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.88 1a3x s TYR 74 CO 0.80 -0.56 1.61 -1.35 -1.34 0.00 0.00 175.55 174.71 1a3x h PRO 75 N 7.80 -0.28 0.00 4.97 0.11 -0.99 -3.39 132.00 140.22 1a3x h PRO 75 Ca -0.12 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1a3x h PRO 75 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a3x h PRO 75 CO 0.02 -0.18 0.00 0.41 -0.21 0.00 0.00 178.00 178.04 1a3x n GLY 76 N -1.40 2.86 3.78 -0.55 0.00 -1.26 -4.32 105.19 104.29 1a3x n GLY 76 Ca -0.01 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1a3x n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3x s ARG 77 N 0.00 4.63 0.27 1.61 1.81 -1.26 -4.98 118.95 121.03 1a3x s ARG 77 Ca 0.00 1.34 -0.30 0.00 -1.72 0.00 0.00 55.73 55.05 1a3x s ARG 77 Cb 0.00 -2.91 -0.11 0.00 -0.45 0.00 0.00 34.95 31.49 1a3x s ARG 77 CO 0.00 0.34 1.49 -2.14 -0.68 0.00 0.00 175.30 174.31 1a3x s PRO 78 N -1.85 4.22 0.18 3.54 0.02 -1.26 -4.99 135.00 134.85 1a3x s PRO 78 Ca 0.48 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.94 1a3x s PRO 78 Cb -0.20 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1a3x s PRO 78 CO 0.25 -0.49 0.24 -1.17 -0.33 0.00 0.00 177.00 175.51 1a3x s LEU 79 N -0.51 4.13 -0.07 -5.54 2.96 -1.26 -4.91 118.68 113.48 1a3x s LEU 79 Ca 0.60 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1a3x s LEU 79 Cb -0.44 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.56 1a3x s LEU 79 CO 0.46 0.03 -0.15 0.00 -1.32 0.00 0.00 176.35 175.37 1a3x s ALA 80 N -1.81 1.48 0.23 5.97 0.00 -1.21 -4.88 121.76 121.53 1a3x s ALA 80 Ca 0.33 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 1a3x s ALA 80 Cb -0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 1a3x s ALA 80 CO 0.27 0.16 0.61 0.42 0.00 0.00 0.00 175.76 177.22 1a3x s ILE 81 N 0.56 4.81 -0.18 0.00 -1.09 -1.26 -0.16 121.20 123.88 1a3x s ILE 81 Ca -0.15 0.76 -0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1a3x s ILE 81 Cb -0.16 -3.67 0.07 0.00 -1.58 0.00 0.00 42.46 37.12 1a3x s ILE 81 CO 0.05 0.01 0.41 0.00 -1.23 0.00 0.00 174.94 174.18 1a3x s ALA 82 N -1.74 -1.09 0.18 9.38 0.00 -0.92 -1.85 121.76 125.72 1a3x s ALA 82 Ca 0.46 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.68 1a3x s ALA 82 Cb -0.12 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 1a3x s ALA 82 CO 0.20 -0.49 0.78 -1.17 0.00 0.00 0.00 175.76 175.08 1a3x s LEU 83 N 1.96 4.58 -0.60 0.00 0.20 -1.25 -1.76 118.68 121.80 1a3x s LEU 83 Ca -0.06 1.65 0.04 0.00 0.69 0.00 0.00 54.13 56.45 1a3x s LEU 83 Cb -0.10 -3.35 0.16 0.00 -0.43 0.00 0.00 46.19 42.47 1a3x s LEU 83 CO -0.13 0.19 0.41 -0.62 -0.29 0.00 0.00 176.35 175.91 1a3x s ASP 84 N -1.20 4.06 0.01 3.68 -1.08 -0.76 -0.93 116.67 120.46 1a3x s ASP 84 Ca 0.37 -3.48 -0.02 0.00 -0.52 0.00 0.00 52.55 48.90 1a3x s ASP 84 Cb -0.23 -1.37 -0.01 0.00 -1.46 0.00 0.00 42.92 39.86 1a3x s ASP 84 CO 0.26 -0.14 0.04 0.41 0.52 0.00 0.00 175.17 176.27 1a3x n THR 85 N 2.44 0.07 -2.62 1.71 -1.04 -1.23 -2.09 114.28 111.53 1a3x n THR 85 Ca 0.18 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.75 1a3x n THR 85 Cb 0.37 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.88 1a3x n THR 85 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1a3x n LYS 86 N 0.07 3.87 -0.68 -2.82 0.00 -1.26 -4.33 118.16 113.01 1a3x n LYS 86 Ca 0.01 -3.90 -0.23 0.00 0.00 0.00 0.00 58.31 54.19 1a3x n LYS 86 Cb 0.01 -2.79 0.11 0.00 0.00 0.00 0.00 35.03 32.36 1a3x n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a3x n GLY 87 N 2.43 -2.39 3.57 3.14 0.00 -1.26 -4.69 105.19 105.99 1a3x n GLY 87 Ca 0.35 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1a3x n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a3x s PRO 88 N -3.00 1.96 0.23 1.61 0.04 -1.26 -4.91 135.00 129.67 1a3x s PRO 88 Ca 0.36 -0.46 0.04 0.00 0.04 0.00 0.00 61.00 60.98 1a3x s PRO 88 Cb -0.03 -5.04 0.04 0.00 0.04 0.00 0.00 34.50 29.50 1a3x s PRO 88 CO 0.43 -4.38 0.30 -0.85 0.04 0.00 0.00 177.00 172.54 1a3x n GLU 89 N 8.48 0.87 -3.49 4.56 0.28 -1.26 -4.99 120.64 125.07 1a3x n GLU 89 Ca 0.43 -1.22 -0.29 0.00 -0.16 0.00 0.00 57.16 55.92 1a3x n GLU 89 Cb 0.46 -0.08 -0.12 0.00 1.43 0.00 0.00 31.44 33.13 1a3x n GLU 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1a3x s ILE 90 N -0.44 0.44 -0.10 3.84 -1.09 -1.26 -4.87 121.20 117.72 1a3x s ILE 90 Ca 0.23 -2.10 -0.27 0.00 -2.23 0.00 0.00 60.65 56.29 1a3x s ILE 90 Cb -0.02 -1.32 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 1a3x s ILE 90 CO 0.15 -1.03 0.87 -0.13 -1.23 0.00 0.00 174.94 173.57 1a3x s ARG 91 N 0.69 4.41 0.67 2.79 1.81 -1.26 -0.58 118.95 127.47 1a3x s ARG 91 Ca 0.21 1.15 -0.14 0.00 -1.72 0.00 0.00 55.73 55.23 1a3x s ARG 91 Cb -0.17 -3.52 0.00 0.00 -0.45 0.00 0.00 34.95 30.82 1a3x s ARG 91 CO -0.04 -0.18 1.10 -0.08 -0.68 0.00 0.00 175.30 175.42 1a3x s THR 92 N 1.59 3.38 0.91 0.02 -1.32 -0.73 -2.69 115.64 116.80 1a3x s THR 92 Ca 0.43 0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 61.36 1a3x s THR 92 Cb -0.18 -3.13 0.24 0.00 -1.51 0.00 0.00 72.50 67.92 1a3x s THR 92 CO 0.18 -0.44 0.55 0.61 -2.21 0.00 0.00 174.62 173.31 1a3x n GLY 93 N -0.78 -3.81 3.89 6.08 0.00 0.74 -3.13 105.19 108.18 1a3x n GLY 93 Ca 0.10 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1a3x n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a3x s THR 94 N -1.72 5.05 -0.20 2.61 -4.23 0.25 -1.92 115.64 115.49 1a3x s THR 94 Ca 0.42 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.93 1a3x s THR 94 Cb -0.07 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 1a3x s THR 94 CO 0.35 -0.02 0.97 0.42 -0.54 0.00 0.00 174.62 175.80 1a3x s THR 95 N -1.65 4.75 0.00 3.99 -4.23 -1.23 -2.14 115.64 115.12 1a3x s THR 95 Ca 0.33 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.75 1a3x s THR 95 Cb -0.11 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.47 1a3x s THR 95 CO 0.26 -0.10 0.00 0.35 -0.54 0.00 0.00 174.62 174.60 1a3x n THR 96 N 5.07 0.00 -0.92 3.99 -2.24 -1.14 -1.80 114.28 117.25 1a3x n THR 96 Ca 0.09 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 1a3x n THR 96 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1a3x n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a3x n ASN 97 N -0.03 3.71 0.00 3.42 5.03 -1.26 -4.86 115.26 121.26 1a3x n ASN 97 Ca 0.00 -2.48 0.00 0.00 0.87 0.00 0.00 54.58 52.97 1a3x n ASN 97 Cb 0.00 -1.10 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 1a3x n ASN 97 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1a3x n ASP 98 N 5.74 0.00 -0.56 6.41 2.03 -0.74 -2.88 116.55 126.56 1a3x n ASP 98 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1a3x n ASP 98 Cb 0.26 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1a3x n ASP 98 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1a3x n VAL 99 N 0.00 0.00 -1.97 5.18 0.31 -1.26 -4.23 118.33 116.36 1a3x n VAL 99 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1a3x n VAL 99 Cb 0.00 -0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 1a3x n VAL 99 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1a3x s ASP 100 N -0.71 6.60 -0.58 4.52 1.47 -1.14 -4.97 116.67 121.86 1a3x s ASP 100 Ca 0.00 2.73 0.04 0.00 1.18 0.00 0.00 52.55 56.50 1a3x s ASP 100 Cb 0.00 -2.63 0.16 0.00 -0.34 0.00 0.00 42.92 40.11 1a3x s ASP 100 CO 0.00 -0.73 0.41 -0.31 0.68 0.00 0.00 175.17 175.21 1a3x s TYR 101 N -0.13 2.70 0.60 2.11 2.02 -1.26 -4.74 117.35 118.65 1a3x s TYR 101 Ca 0.59 -2.95 -0.20 0.00 -0.37 0.00 0.00 57.07 54.14 1a3x s TYR 101 Cb -0.43 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 1a3x s TYR 101 CO 0.46 -0.66 1.30 -2.30 -1.57 0.00 0.00 175.55 172.77 1a3x n PRO 102 N 2.47 1.33 -3.80 -1.71 -0.02 -1.19 -4.54 135.00 127.53 1a3x n PRO 102 Ca 0.20 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.82 1a3x n PRO 102 Cb 0.38 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 1a3x n PRO 102 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a3x s ILE 103 N -1.35 3.30 0.23 4.25 1.01 -1.26 0.12 121.20 127.50 1a3x s ILE 103 Ca 0.78 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 1a3x s ILE 103 Cb -0.40 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1a3x s ILE 103 CO 0.44 -0.45 1.00 -2.16 0.00 0.00 0.00 174.94 173.77 1a3x s PRO 104 N 1.22 4.76 -0.17 2.79 0.04 -0.97 -4.94 135.00 137.73 1a3x s PRO 104 Ca 0.03 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 1a3x s PRO 104 Cb -0.21 -3.26 -0.23 0.00 0.04 0.00 0.00 34.50 30.83 1a3x s PRO 104 CO -0.02 0.37 0.19 -0.35 0.04 0.00 0.00 177.00 177.23 1a3x n PRO 105 N 1.61 0.70 0.00 0.56 -0.04 -1.26 -3.36 135.00 133.21 1a3x n PRO 105 Ca -0.01 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1a3x n PRO 105 Cb 0.47 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1a3x n PRO 105 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a3x n ASN 106 N -3.62 0.00 -4.92 3.54 5.15 -1.26 -3.44 115.26 110.71 1a3x n ASN 106 Ca -0.36 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.41 1a3x n ASN 106 Cb 0.98 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.28 1a3x n ASN 106 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1a3x s HIS 107 N 0.00 2.43 0.00 1.20 -3.43 -1.26 -4.62 115.29 109.61 1a3x s HIS 107 Ca 0.00 -0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 53.95 1a3x s HIS 107 Cb 0.00 -2.70 -0.05 0.00 -1.43 0.00 0.00 32.58 28.39 1a3x s HIS 107 CO 0.00 -1.02 0.36 -1.21 -2.00 0.00 0.00 174.74 170.87 1a3x s GLU 108 N -4.78 3.80 0.00 -0.38 2.02 -1.26 -0.58 118.70 117.52 1a3x s GLU 108 Ca 0.59 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.84 1a3x s GLU 108 Cb -0.09 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1a3x s GLU 108 CO 0.39 0.67 0.00 0.00 0.02 0.00 0.00 175.26 176.34 1a3x n MET 109 N 1.58 0.00 -3.30 1.61 0.00 0.22 -4.96 117.12 112.28 1a3x n MET 109 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.60 1a3x n MET 109 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.72 1a3x n MET 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1a3x s ILE 110 N 1.20 -0.65 0.13 3.17 -1.16 -1.17 -2.75 121.20 119.97 1a3x s ILE 110 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.91 1a3x s ILE 110 Cb 0.00 -1.00 -0.07 0.00 0.61 0.00 0.00 42.46 42.00 1a3x s ILE 110 CO 0.00 0.00 0.70 -0.36 -2.81 0.00 0.00 174.94 172.47 1a3x s PHE 111 N 2.76 3.87 0.06 3.50 0.40 -0.59 -1.97 117.98 126.01 1a3x s PHE 111 Ca 0.03 1.50 -0.02 0.00 -0.60 0.00 0.00 56.93 57.85 1a3x s PHE 111 Cb -0.10 -2.67 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1a3x s PHE 111 CO -0.17 0.54 0.00 0.99 0.70 0.00 0.00 175.22 177.28 1a3x s THR 112 N -1.11 0.20 -0.52 0.64 2.01 0.24 -0.14 115.64 116.95 1a3x s THR 112 Ca 0.33 -1.76 0.07 0.00 0.31 0.00 0.00 61.69 60.64 1a3x s THR 112 Cb -0.22 -1.57 0.29 0.00 0.01 0.00 0.00 72.50 71.01 1a3x s THR 112 CO 0.24 -0.90 0.74 0.35 -0.69 0.00 0.00 174.62 174.36 1a3x n THR 113 N 0.07 1.36 0.03 -0.82 -2.24 -0.77 -2.44 114.28 109.46 1a3x n THR 113 Ca -0.13 -4.91 0.07 0.00 -2.27 0.00 0.00 64.05 56.81 1a3x n THR 113 Cb 0.61 -1.57 -0.11 0.00 -2.10 0.00 0.00 70.33 67.16 1a3x n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a3x n ASP 114 N 0.62 1.69 0.00 3.42 2.03 -1.26 -4.96 116.55 118.08 1a3x n ASP 114 Ca 0.27 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1a3x n ASP 114 Cb 0.48 1.61 0.00 0.00 -0.72 0.00 0.00 41.12 42.49 1a3x n ASP 114 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a3x n ASP 115 N -1.96 0.00 0.25 1.67 9.92 -1.26 -4.62 116.55 120.55 1a3x n ASP 115 Ca -0.02 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.38 1a3x n ASP 115 Cb 0.36 -0.41 0.41 0.00 -0.64 0.00 0.00 41.12 40.84 1a3x n ASP 115 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1a3x h LYS 116 N 0.77 0.00 -0.15 -1.24 1.57 -1.96 -2.75 116.57 112.81 1a3x h LYS 116 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a3x h LYS 116 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a3x h LYS 116 CO 0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1a3x n TYR 117 N -3.10 0.20 0.00 -1.35 4.02 -1.26 -4.67 117.16 111.00 1a3x n TYR 117 Ca 0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1a3x n TYR 117 Cb 0.43 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1a3x n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a3x n ALA 118 N 0.17 -0.23 0.18 -0.72 0.00 -1.04 -2.51 120.51 116.37 1a3x n ALA 118 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1a3x n ALA 118 Cb 0.30 0.25 0.30 0.00 0.00 0.00 0.00 19.45 20.30 1a3x n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a3x h LYS 119 N 0.00 0.00 -3.45 0.00 3.64 -1.81 0.73 116.57 115.69 1a3x h LYS 119 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1a3x h LYS 119 Cb 0.00 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 1a3x h LYS 119 CO 0.00 0.43 -0.34 0.00 -2.27 0.00 0.00 179.45 177.26 1a3x s ALA 120 N -3.60 3.73 -0.14 5.00 0.00 -1.04 -3.60 121.76 122.10 1a3x s ALA 120 Ca -0.00 -3.45 -0.17 0.00 0.00 0.00 0.00 51.96 48.33 1a3x s ALA 120 Cb 0.11 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1a3x s ALA 120 CO 0.70 -2.11 0.46 0.00 0.00 0.00 0.00 175.76 174.81 1a3x n ASP 122 N 2.38 0.00 0.00 0.00 5.75 -1.11 -2.89 116.55 120.68 1a3x n ASP 122 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1a3x n ASP 122 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1a3x n ASP 122 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1a3x n ASP 123 N 0.00 0.00 0.01 -1.12 -0.08 -1.26 -3.16 116.55 110.94 1a3x n ASP 123 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1a3x n ASP 123 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1a3x n ASP 123 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1a3x h LYS 124 N 0.00 0.28 -5.00 -0.67 6.56 -1.96 -3.45 116.57 112.32 1a3x h LYS 124 Ca 0.00 -0.47 -0.46 0.00 -1.06 0.00 0.00 60.65 58.65 1a3x h LYS 124 Cb 0.00 0.18 -0.14 0.00 -0.57 0.00 0.00 32.23 31.70 1a3x h LYS 124 CO 0.00 1.23 -0.56 -1.50 -2.06 0.00 0.00 179.45 176.56 1a3x s ILE 125 N -2.54 0.59 -0.16 1.86 2.07 -1.19 -3.02 121.20 118.81 1a3x s ILE 125 Ca -0.21 -2.00 -0.14 0.00 -1.41 0.00 0.00 60.65 56.89 1a3x s ILE 125 Cb 0.06 -2.52 0.05 0.00 0.13 0.00 0.00 42.46 40.17 1a3x s ILE 125 CO 0.78 0.00 0.43 -0.32 -1.91 0.00 0.00 174.94 173.92 1a3x s MET 126 N -3.81 0.49 0.10 3.50 -2.45 -0.83 -2.76 119.30 113.53 1a3x s MET 126 Ca 0.32 0.64 -0.06 0.00 -1.25 0.00 0.00 55.69 55.34 1a3x s MET 126 Cb 0.05 0.20 -0.05 0.00 1.25 0.00 0.00 34.83 36.28 1a3x s MET 126 CO 0.16 -0.08 0.35 -0.47 1.05 0.00 0.00 175.02 176.03 1a3x s TYR 127 N 0.45 3.52 -0.05 4.11 5.04 -1.25 0.80 117.35 129.97 1a3x s TYR 127 Ca -0.02 0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1a3x s TYR 127 Cb -0.04 -2.02 0.04 0.00 0.35 0.00 0.00 41.96 40.29 1a3x s TYR 127 CO -0.02 0.49 0.10 0.14 -1.34 0.00 0.00 175.55 174.92 1a3x s VAL 128 N -1.53 -0.10 -2.00 3.14 -7.23 -1.02 -0.18 120.40 111.48 1a3x s VAL 128 Ca 0.36 0.26 0.10 0.00 -1.81 0.00 0.00 61.98 60.89 1a3x s VAL 128 Cb -0.13 -0.19 0.27 0.00 0.56 0.00 0.00 36.38 36.90 1a3x s VAL 128 CO 0.22 0.11 1.18 -0.90 -0.31 0.00 0.00 175.10 175.39 1a3x n ASP 129 N 4.53 0.00 -4.35 4.85 5.68 -1.10 -4.47 116.55 121.70 1a3x n ASP 129 Ca -0.20 -1.23 -0.46 0.00 -0.50 0.00 0.00 54.79 52.40 1a3x n ASP 129 Cb 0.51 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1a3x n ASP 129 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a3x s TYR 130 N -2.00 3.73 0.12 2.11 5.04 -1.26 -4.91 117.35 120.19 1a3x s TYR 130 Ca 0.14 -2.01 0.18 0.00 -2.44 0.00 0.00 57.07 52.95 1a3x s TYR 130 Cb 0.07 -3.90 0.99 0.00 0.35 0.00 0.00 41.96 39.46 1a3x s TYR 130 CO 0.11 -1.07 1.49 0.87 -1.34 0.00 0.00 175.55 175.61 1a3x h LYS 131 N 7.77 0.00 0.00 4.97 1.79 -1.93 -2.74 116.57 126.42 1a3x h LYS 131 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1a3x h LYS 131 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1a3x h LYS 131 CO 0.85 0.00 -1.45 0.09 -1.08 0.00 0.00 179.45 177.86 1a3x n ASN 132 N -2.26 0.83 -0.28 0.86 4.13 -1.26 -4.55 115.26 112.72 1a3x n ASN 132 Ca -0.01 -0.36 0.27 0.00 1.68 0.00 0.00 54.58 56.16 1a3x n ASN 132 Cb 0.29 1.51 0.48 0.00 -1.54 0.00 0.00 39.78 40.52 1a3x n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a3x n ILE 133 N -1.86 -0.30 -0.21 2.41 3.06 -1.03 0.25 119.36 121.68 1a3x n ILE 133 Ca -0.01 1.56 0.21 0.00 -2.50 0.00 0.00 62.75 62.01 1a3x n ILE 133 Cb 0.40 -2.53 0.57 0.00 0.54 0.00 0.00 39.64 38.62 1a3x n ILE 133 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1a3x h THR 134 N 0.00 0.65 0.00 9.51 1.35 -1.83 1.28 112.91 123.88 1a3x h THR 134 Ca 0.67 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 66.33 1a3x h THR 134 Cb 1.87 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 1a3x h THR 134 CO -0.55 0.05 -0.66 0.11 -0.25 0.00 0.00 175.52 174.22 1a3x h LYS 135 N 0.29 0.00 0.00 4.72 1.57 0.30 -3.37 116.57 120.08 1a3x h LYS 135 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1a3x h LYS 135 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1a3x h LYS 135 CO -0.13 0.69 0.00 -0.39 -0.57 0.00 0.00 179.45 179.05 1a3x h VAL 136 N -1.00 0.00 -3.11 0.50 -1.51 -1.18 -3.44 116.25 106.51 1a3x h VAL 136 Ca -0.16 -0.43 -0.50 0.00 -1.23 0.00 0.00 66.70 64.38 1a3x h VAL 136 Cb 0.92 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1a3x h VAL 136 CO -0.09 0.00 -0.13 -0.51 -1.23 0.00 0.00 177.57 175.60 1a3x s ILE 137 N -3.63 5.04 -0.12 7.19 2.07 0.44 -4.62 121.20 127.57 1a3x s ILE 137 Ca 0.01 -0.10 -0.08 0.00 -1.41 0.00 0.00 60.65 59.07 1a3x s ILE 137 Cb 0.09 -3.79 0.04 0.00 0.13 0.00 0.00 42.46 38.93 1a3x s ILE 137 CO 0.51 -0.45 0.31 -0.55 -1.91 0.00 0.00 174.94 172.84 1a3x s SER 138 N -3.55 -0.34 -0.47 4.50 0.15 -1.26 -4.86 113.70 107.87 1a3x s SER 138 Ca 0.43 0.64 -0.45 0.00 0.70 0.00 0.00 55.95 57.27 1a3x s SER 138 Cb -0.10 0.58 -0.19 0.00 -1.71 0.00 0.00 66.02 64.59 1a3x s SER 138 CO 0.34 -0.15 1.72 0.00 1.20 0.00 0.00 173.24 176.35 1a3x n ALA 139 N 3.70 -0.89 0.00 5.45 0.00 -1.26 -0.62 120.51 126.88 1a3x n ALA 139 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1a3x n ALA 139 Cb 0.55 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1a3x n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 140 N 4.63 0.84 3.65 0.00 0.00 0.47 -4.99 105.19 109.80 1a3x n GLY 140 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 1a3x n GLY 140 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a3x n ARG 141 N 0.00 0.35 -3.97 1.61 0.00 0.21 -4.50 116.66 110.34 1a3x n ARG 141 Ca 0.00 0.19 -0.31 0.00 -0.00 0.00 0.00 57.85 57.73 1a3x n ARG 141 Cb 0.00 -2.34 -0.15 0.00 0.00 0.00 0.00 32.46 29.97 1a3x n ARG 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1a3x s ILE 142 N -1.97 1.90 0.45 5.15 1.01 -1.26 0.55 121.20 127.03 1a3x s ILE 142 Ca 0.73 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1a3x s ILE 142 Cb -0.31 -2.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1a3x s ILE 142 CO 0.51 -0.37 1.02 -0.63 0.00 0.00 0.00 174.94 175.46 1a3x s ILE 143 N 1.15 3.92 -0.02 2.92 1.01 -1.03 -4.27 121.20 124.89 1a3x s ILE 143 Ca 0.03 1.26 0.06 0.00 0.00 0.00 0.00 60.65 62.01 1a3x s ILE 143 Cb -0.19 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1a3x s ILE 143 CO -0.09 -0.19 -0.21 -0.31 0.00 0.00 0.00 174.94 174.13 1a3x s TYR 144 N -1.95 1.90 -0.06 3.97 1.51 -0.85 -0.83 117.35 121.05 1a3x s TYR 144 Ca 0.64 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 1a3x s TYR 144 Cb -0.16 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1a3x s TYR 144 CO 0.20 -0.04 -0.20 0.08 -1.11 0.00 0.00 175.55 174.48 1a3x s VAL 145 N -0.46 1.66 -0.08 0.71 1.01 -0.28 -1.40 120.40 121.57 1a3x s VAL 145 Ca 0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1a3x s VAL 145 Cb -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1a3x s VAL 145 CO -0.01 0.47 0.11 -0.67 0.00 0.00 0.00 175.10 175.01 1a3x n ASP 146 N 3.26 -3.95 -4.46 3.32 2.03 -0.49 -1.66 116.55 114.59 1a3x n ASP 146 Ca -0.19 1.28 -0.41 0.00 0.52 0.00 0.00 54.79 55.99 1a3x n ASP 146 Cb 0.53 -3.73 -0.07 0.00 -0.72 0.00 0.00 41.12 37.12 1a3x n ASP 146 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1a3x n ASP 147 N 2.03 -1.92 -3.73 1.67 2.03 -1.26 -0.03 116.55 115.33 1a3x n ASP 147 Ca -0.19 -1.18 -0.28 0.00 0.52 0.00 0.00 54.79 53.67 1a3x n ASP 147 Cb 0.29 -1.67 -0.03 0.00 -0.72 0.00 0.00 41.12 38.99 1a3x n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a3x n GLY 148 N -1.07 -0.46 0.20 0.27 0.00 -1.22 -4.79 105.19 98.13 1a3x n GLY 148 Ca 0.11 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1a3x n GLY 148 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1a3x h VAL 149 N -0.91 0.29 -4.23 1.61 -1.51 0.49 -3.45 116.25 108.53 1a3x h VAL 149 Ca -0.45 -1.33 -0.68 0.00 -1.23 0.00 0.00 66.70 63.02 1a3x h VAL 149 Cb 1.29 2.07 -0.26 0.00 -2.13 0.00 0.00 31.29 32.26 1a3x h VAL 149 CO 0.60 0.16 -0.87 -0.76 -1.23 0.00 0.00 177.57 175.47 1a3x s LEU 150 N -6.32 2.19 0.15 4.19 1.02 -0.97 -4.92 118.68 114.02 1a3x s LEU 150 Ca 0.05 -0.61 0.11 0.00 0.02 0.00 0.00 54.13 53.71 1a3x s LEU 150 Cb 0.06 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 1a3x s LEU 150 CO 0.68 0.24 -0.25 -0.44 0.02 0.00 0.00 176.35 176.59 1a3x s SER 151 N -1.35 3.31 -0.36 2.29 0.01 -1.26 -1.12 113.70 115.22 1a3x s SER 151 Ca 0.11 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1a3x s SER 151 Cb -0.10 -0.23 0.15 0.00 0.21 0.00 0.00 66.02 66.05 1a3x s SER 151 CO 0.03 0.15 0.29 -0.36 0.41 0.00 0.00 173.24 173.75 1a3x s PHE 152 N -1.31 0.26 -0.09 2.43 0.08 -0.01 -0.46 117.98 118.88 1a3x s PHE 152 Ca 0.16 -1.27 -0.30 0.00 0.12 0.00 0.00 56.93 55.64 1a3x s PHE 152 Cb -0.09 -0.68 -0.08 0.00 -0.57 0.00 0.00 43.02 41.60 1a3x s PHE 152 CO 0.07 -0.89 2.06 1.04 -0.10 0.00 0.00 175.22 177.40 1a3x n GLN 153 N 4.11 2.37 -1.72 0.44 1.13 -0.81 -2.45 117.38 120.46 1a3x n GLN 153 Ca 0.12 0.80 -0.40 0.00 -1.94 0.00 0.00 57.00 55.58 1a3x n GLN 153 Cb 0.41 -3.01 -0.03 0.00 0.11 0.00 0.00 30.24 27.72 1a3x n GLN 153 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1a3x s VAL 154 N 5.88 3.13 -0.05 5.09 1.01 0.19 -2.63 120.40 133.02 1a3x s VAL 154 Ca 0.95 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.78 1a3x s VAL 154 Cb -0.46 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 1a3x s VAL 154 CO 0.42 -0.21 1.09 -0.07 0.00 0.00 0.00 175.10 176.33 1a3x h LEU 155 N 16.76 0.10 0.00 3.92 3.38 -1.47 0.14 115.31 138.14 1a3x h LEU 155 Ca -0.31 -0.69 -0.10 0.00 0.09 0.00 0.00 57.88 56.87 1a3x h LEU 155 Cb 1.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1a3x h LEU 155 CO 1.08 0.77 0.04 1.21 0.09 0.00 0.00 178.44 181.64 1a3x n GLU 156 N -4.67 0.60 -3.83 1.13 2.13 -0.74 -4.75 120.64 110.51 1a3x n GLU 156 Ca -0.09 -1.63 -0.30 0.00 0.66 0.00 0.00 57.16 55.80 1a3x n GLU 156 Cb 0.39 1.78 -0.14 0.00 0.27 0.00 0.00 31.44 33.74 1a3x n GLU 156 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1a3x s VAL 157 N -2.55 1.82 0.09 6.31 1.01 -1.26 -2.22 120.40 123.60 1a3x s VAL 157 Ca 0.15 -2.64 -0.25 0.00 0.00 0.00 0.00 61.98 59.24 1a3x s VAL 157 Cb -0.02 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1a3x s VAL 157 CO 0.11 -0.80 0.75 -0.69 0.00 0.00 0.00 175.10 174.47 1a3x s VAL 158 N 0.36 4.61 0.00 2.92 1.01 -0.78 -4.85 120.40 123.66 1a3x s VAL 158 Ca 0.16 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1a3x s VAL 158 Cb -0.24 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1a3x s VAL 158 CO -0.04 0.43 0.00 0.47 0.00 0.00 0.00 175.10 175.97 1a3x n ASP 159 N 2.32 0.00 -0.66 3.32 9.92 -1.26 -1.28 116.55 128.91 1a3x n ASP 159 Ca -0.04 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1a3x n ASP 159 Cb 0.50 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1a3x n ASP 159 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a3x n ASP 160 N 1.89 0.03 0.00 -2.24 9.92 -1.26 -4.69 116.55 120.20 1a3x n ASP 160 Ca 0.00 -1.67 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 1a3x n ASP 160 Cb 0.00 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1a3x n ASP 160 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1a3x n LYS 161 N 0.06 0.00 -4.51 -1.24 4.81 -1.24 -4.83 118.16 111.21 1a3x n LYS 161 Ca -0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.12 1a3x n LYS 161 Cb 0.69 -0.15 -0.12 0.00 0.02 0.00 0.00 35.03 35.47 1a3x n LYS 161 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1a3x s THR 162 N 0.00 3.02 -0.16 3.15 2.01 -0.40 -1.86 115.64 121.40 1a3x s THR 162 Ca 0.00 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 60.78 1a3x s THR 162 Cb 0.00 -2.32 0.07 0.00 0.01 0.00 0.00 72.50 70.26 1a3x s THR 162 CO 0.00 0.28 0.18 -0.76 -0.69 0.00 0.00 174.62 173.62 1a3x s LEU 163 N -1.66 -0.01 0.14 4.42 1.43 0.80 -1.87 118.68 121.93 1a3x s LEU 163 Ca 0.17 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1a3x s LEU 163 Cb -0.11 0.23 -0.08 0.00 0.03 0.00 0.00 46.19 46.26 1a3x s LEU 163 CO 0.08 -0.31 1.29 -0.75 0.23 0.00 0.00 176.35 176.89 1a3x s LYS 164 N 2.28 4.40 0.14 1.70 2.20 -0.94 -1.54 119.74 127.97 1a3x s LYS 164 Ca 0.05 1.97 -0.06 0.00 -0.36 0.00 0.00 55.97 57.57 1a3x s LYS 164 Cb -0.15 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1a3x s LYS 164 CO -0.10 -0.28 0.18 0.14 -0.36 0.00 0.00 175.35 174.94 1a3x s VAL 165 N 0.55 0.09 -0.04 4.02 -7.23 -1.11 -1.17 120.40 115.52 1a3x s VAL 165 Ca 0.59 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1a3x s VAL 165 Cb -0.34 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1a3x s VAL 165 CO 0.34 -0.43 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.94 1a3x s LYS 166 N -3.98 0.53 -0.08 4.82 2.20 -1.08 0.72 119.74 122.86 1a3x s LYS 166 Ca 0.18 0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 1a3x s LYS 166 Cb 0.05 -0.68 -0.06 0.00 -1.51 0.00 0.00 37.83 35.63 1a3x s LYS 166 CO -0.01 -0.14 1.85 0.00 -0.36 0.00 0.00 175.35 176.69 1a3x s ALA 167 N 1.14 3.40 -0.94 3.13 0.00 0.25 -1.92 121.76 126.83 1a3x s ALA 167 Ca -0.08 0.97 0.26 0.00 0.00 0.00 0.00 51.96 53.11 1a3x s ALA 167 Cb -0.14 -3.85 1.07 0.00 0.00 0.00 0.00 23.12 20.20 1a3x s ALA 167 CO -0.02 -1.79 1.83 1.28 0.00 0.00 0.00 175.76 177.07 1a3x n LEU 168 N 8.24 0.16 -3.95 0.00 4.77 0.39 -4.24 117.00 122.38 1a3x n LEU 168 Ca 0.20 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.61 1a3x n LEU 168 Cb 0.43 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1a3x n LEU 168 CO 0.65 -0.09 0.21 0.54 -1.33 0.00 0.00 177.39 177.37 1a3x s ASN 169 N -3.30 -0.12 0.09 -1.43 6.03 -1.26 -4.94 114.94 110.01 1a3x s ASN 169 Ca 0.12 -0.84 0.00 0.00 -1.03 0.00 0.00 52.86 51.12 1a3x s ASN 169 Cb 0.16 0.59 0.00 0.00 -3.03 0.00 0.00 41.25 38.97 1a3x s ASN 169 CO 0.50 -1.14 0.00 0.00 -2.03 0.00 0.00 177.10 174.43 1a3x n ALA 170 N -0.37 0.00 0.00 3.54 0.00 -1.22 -4.54 120.51 117.91 1a3x n ALA 170 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1a3x n ALA 170 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1a3x n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 171 N 2.35 2.37 3.56 0.00 0.00 -1.21 -4.82 105.19 107.44 1a3x n GLY 171 Ca 0.00 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1a3x n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3x s LYS 172 N -2.43 3.31 -0.21 1.61 -2.85 -1.26 -2.30 119.74 115.61 1a3x s LYS 172 Ca 0.00 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 1a3x s LYS 172 Cb 0.00 -2.82 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 1a3x s LYS 172 CO 0.00 0.44 1.07 -1.50 0.10 0.00 0.00 175.35 175.47 1a3x s ILE 173 N -0.19 4.62 0.00 3.79 -1.16 0.32 -4.93 121.20 123.66 1a3x s ILE 173 Ca 0.04 1.95 0.00 0.00 -0.51 0.00 0.00 60.65 62.13 1a3x s ILE 173 Cb -0.13 -4.26 0.00 0.00 0.61 0.00 0.00 42.46 38.68 1a3x s ILE 173 CO 0.02 -0.16 0.00 0.00 -2.81 0.00 0.00 174.94 171.99 1a3x s SER 175 N -0.82 5.28 -0.03 0.00 1.04 -1.26 -4.62 113.70 113.29 1a3x s SER 175 Ca 0.00 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1a3x s SER 175 Cb 0.00 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1a3x s SER 175 CO 0.00 -0.54 0.04 1.41 0.98 0.00 0.00 173.24 175.13 1a3x n HIS 176 N -1.53 -0.17 -4.04 5.02 8.25 -0.81 -4.97 115.22 116.97 1a3x n HIS 176 Ca 0.02 0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1a3x n HIS 176 Cb 0.60 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.39 1a3x n HIS 176 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1a3x s LYS 177 N -0.27 0.47 0.21 -0.41 -0.14 -1.26 -4.91 119.74 113.43 1a3x s LYS 177 Ca 0.02 -0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 1a3x s LYS 177 Cb -0.00 0.09 -0.08 0.00 -1.68 0.00 0.00 37.83 36.16 1a3x s LYS 177 CO 0.06 -0.06 1.21 0.20 -0.76 0.00 0.00 175.35 176.00 1a3x s GLY 178 N -2.08 2.71 -0.21 -3.33 0.00 -1.26 -1.77 107.32 101.37 1a3x s GLY 178 Ca -0.06 0.99 -0.08 0.00 0.00 0.00 0.00 44.72 45.57 1a3x s GLY 178 CO -0.04 1.85 0.09 0.14 0.00 0.00 0.00 173.10 175.14 1a3x s VAL 179 N -0.23 4.85 -0.15 1.40 1.01 0.25 -1.40 120.40 126.13 1a3x s VAL 179 Ca 0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1a3x s VAL 179 Cb -0.34 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1a3x s VAL 179 CO 0.38 0.40 0.02 0.20 0.00 0.00 0.00 175.10 176.10 1a3x s ASN 180 N 0.84 5.30 -0.96 3.32 -0.87 -0.49 -4.27 114.94 117.81 1a3x s ASN 180 Ca 0.05 0.04 -0.03 0.00 -1.57 0.00 0.00 52.86 51.35 1a3x s ASN 180 Cb -0.13 -1.81 0.26 0.00 -0.02 0.00 0.00 41.25 39.55 1a3x s ASN 180 CO 0.02 0.22 1.03 0.18 -2.57 0.00 0.00 177.10 175.99 1a3x n LEU 181 N 3.19 5.01 -4.63 0.60 4.77 -1.26 -2.02 117.00 122.67 1a3x n LEU 181 Ca -0.17 -5.17 -0.43 0.00 -0.03 0.00 0.00 56.01 50.21 1a3x n LEU 181 Cb 0.53 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1a3x n LEU 181 CO 0.33 1.61 1.53 -2.84 -1.33 0.00 0.00 177.39 176.69 1a3x s PRO 182 N -1.86 3.68 0.00 3.23 0.02 -1.26 -2.74 135.00 136.06 1a3x s PRO 182 Ca 0.31 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1a3x s PRO 182 Cb -0.02 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.36 1a3x s PRO 182 CO -0.04 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.58 1a3x n GLY 183 N 4.94 0.86 2.70 0.52 0.00 -1.26 -4.59 105.19 108.35 1a3x n GLY 183 Ca 0.22 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1a3x n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3x s THR 184 N -2.25 0.14 -0.45 2.61 2.01 -1.11 -5.06 115.64 111.53 1a3x s THR 184 Ca 0.00 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1a3x s THR 184 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1a3x s THR 184 CO 0.00 0.07 2.13 -0.62 -0.69 0.00 0.00 174.62 175.51 1a3x s ASP 185 N 2.06 5.09 0.07 3.53 2.15 -1.26 -4.93 116.67 123.37 1a3x s ASP 185 Ca 0.04 1.07 -0.24 0.00 0.43 0.00 0.00 52.55 53.85 1a3x s ASP 185 Cb -0.13 -2.51 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 1a3x s ASP 185 CO -0.05 -2.38 0.74 0.68 -0.17 0.00 0.00 175.17 173.98 1a3x s VAL 186 N 9.78 4.66 -1.88 1.11 -7.23 -1.26 -4.83 120.40 120.75 1a3x s VAL 186 Ca 0.87 1.59 0.16 0.00 -1.81 0.00 0.00 61.98 62.79 1a3x s VAL 186 Cb -0.20 -4.09 0.48 0.00 0.56 0.00 0.00 36.38 33.13 1a3x s VAL 186 CO 0.28 0.42 1.39 -0.90 -0.31 0.00 0.00 175.10 175.98 1a3x n ASP 187 N 2.44 2.97 -4.74 4.85 5.68 -1.26 -4.93 116.55 121.56 1a3x n ASP 187 Ca -0.04 -2.05 -0.41 0.00 -0.50 0.00 0.00 54.79 51.79 1a3x n ASP 187 Cb 0.50 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 1a3x n ASP 187 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1a3x s LEU 188 N -1.08 4.56 0.37 -2.12 1.43 -1.26 -5.03 118.68 115.56 1a3x s LEU 188 Ca 0.36 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 55.18 1a3x s LEU 188 Cb 0.19 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 1a3x s LEU 188 CO 0.23 -0.02 1.21 -2.16 0.23 0.00 0.00 176.35 175.84 1a3x s PRO 189 N -0.76 4.20 0.40 1.29 0.04 -1.26 -4.91 135.00 134.00 1a3x s PRO 189 Ca 0.45 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.63 1a3x s PRO 189 Cb -0.27 -2.86 1.08 0.00 0.04 0.00 0.00 34.50 32.50 1a3x s PRO 189 CO 0.34 -0.23 1.78 0.00 0.04 0.00 0.00 177.00 178.92 1a3x h ALA 190 N 3.00 2.20 -4.16 8.56 0.00 -1.91 -3.38 119.26 123.57 1a3x h ALA 190 Ca -0.49 0.06 -0.69 0.00 0.00 0.00 0.00 54.91 53.79 1a3x h ALA 190 Cb 1.23 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.79 1a3x h ALA 190 CO 0.64 -0.59 -0.82 -0.51 0.00 0.00 0.00 179.25 177.97 1a3x s LEU 191 N -9.64 2.50 0.52 0.00 1.43 -1.26 -4.09 118.68 108.14 1a3x s LEU 191 Ca -0.09 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1a3x s LEU 191 Cb 0.25 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1a3x s LEU 191 CO 0.80 0.30 0.31 -0.44 0.23 0.00 0.00 176.35 177.55 1a3x s SER 192 N -0.97 4.53 0.28 2.29 0.01 -1.26 -4.97 113.70 113.60 1a3x s SER 192 Ca 0.12 -1.30 -0.03 0.00 1.31 0.00 0.00 55.95 56.05 1a3x s SER 192 Cb -0.10 0.35 0.40 0.00 0.21 0.00 0.00 66.02 66.88 1a3x s SER 192 CO 0.02 -1.00 1.92 -0.33 0.41 0.00 0.00 173.24 174.25 1a3x h GLU 193 N 0.93 1.15 -0.10 12.44 3.07 -2.00 -1.61 114.58 128.46 1a3x h GLU 193 Ca -0.39 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.33 1a3x h GLU 193 Cb 1.30 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1a3x h GLU 193 CO 0.62 0.76 -0.22 -0.22 -1.40 0.00 0.00 179.01 178.55 1a3x h LYS 194 N 1.19 0.32 -0.95 2.33 3.64 -2.00 -3.16 116.57 117.93 1a3x h LYS 194 Ca 0.38 -0.21 0.18 0.00 -1.27 0.00 0.00 60.65 59.73 1a3x h LYS 194 Cb 0.03 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1a3x h LYS 194 CO -0.12 0.82 0.61 -0.44 -2.27 0.00 0.00 179.45 178.04 1a3x h ASP 195 N -0.14 0.65 -0.04 4.20 3.32 -1.83 1.31 116.42 123.89 1a3x h ASP 195 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1a3x h ASP 195 Cb 0.82 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1a3x h ASP 195 CO 0.05 0.27 -0.00 0.11 -1.72 0.00 0.00 179.24 177.94 1a3x h LYS 196 N 0.65 0.13 0.19 3.56 1.57 -1.27 -1.46 116.57 119.94 1a3x h LYS 196 Ca 0.51 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.99 1a3x h LYS 196 Cb 0.94 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.25 1a3x h LYS 196 CO -0.27 0.15 -1.27 0.93 -0.57 0.00 0.00 179.45 178.42 1a3x h GLU 197 N 0.13 0.52 -0.85 3.15 5.08 0.15 -2.64 114.58 120.13 1a3x h GLU 197 Ca 0.03 -0.82 -0.01 0.00 -1.00 0.00 0.00 59.36 57.57 1a3x h GLU 197 Cb 0.10 0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1a3x h GLU 197 CO 0.00 1.38 0.51 -0.44 -1.00 0.00 0.00 179.01 179.46 1a3x h ASP 198 N 0.08 1.02 0.71 1.42 3.32 -0.28 0.30 116.42 123.00 1a3x h ASP 198 Ca -0.21 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1a3x h ASP 198 Cb 1.98 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 41.28 1a3x h ASP 198 CO 0.24 0.79 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.14 1a3x h LEU 199 N 1.17 -0.81 -1.66 1.55 3.38 -1.37 0.16 115.31 117.74 1a3x h LEU 199 Ca 0.30 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.51 1a3x h LEU 199 Cb -0.04 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1a3x h LEU 199 CO -0.06 -0.50 0.63 0.03 0.09 0.00 0.00 178.44 178.63 1a3x h ARG 200 N -1.10 0.26 -0.22 1.13 3.08 -1.22 0.69 114.38 117.00 1a3x h ARG 200 Ca -0.10 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1a3x h ARG 200 Cb 0.76 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1a3x h ARG 200 CO 0.16 0.17 -0.37 0.35 -1.07 0.00 0.00 179.97 179.21 1a3x h PHE 201 N 0.27 0.80 0.01 3.04 3.57 -0.01 -2.40 116.94 122.22 1a3x h PHE 201 Ca 0.48 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1a3x h PHE 201 Cb 1.42 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1a3x h PHE 201 CO -0.00 1.03 -0.00 0.78 -2.23 0.00 0.00 178.31 177.89 1a3x h GLY 202 N 0.34 -0.01 -0.03 2.40 0.00 0.30 -0.30 103.07 105.77 1a3x h GLY 202 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1a3x h GLY 202 CO 0.08 -0.00 -0.40 -2.08 0.00 0.00 0.00 176.54 174.14 1a3x h VAL 203 N -0.31 0.16 -0.47 4.60 2.07 0.05 0.13 116.25 122.48 1a3x h VAL 203 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1a3x h VAL 203 Cb 0.31 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 1a3x h VAL 203 CO 0.00 0.00 -0.22 0.50 0.02 0.00 0.00 177.57 177.87 1a3x h LYS 204 N -0.44 -0.11 0.00 1.57 3.64 -1.40 0.18 116.57 120.01 1a3x h LYS 204 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1a3x h LYS 204 Cb 0.60 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1a3x h LYS 204 CO -0.43 -0.07 0.00 0.09 -2.27 0.00 0.00 179.45 176.76 1a3x n ASN 205 N -5.40 0.00 -3.61 4.20 3.02 -0.13 -4.90 115.26 108.44 1a3x n ASN 205 Ca 0.03 -1.39 -0.24 0.00 -0.03 0.00 0.00 54.58 52.96 1a3x n ASN 205 Cb 0.31 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 1a3x n ASN 205 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3x n GLY 206 N 0.26 -0.51 3.74 7.41 0.00 0.63 -5.00 105.19 111.73 1a3x n GLY 206 Ca 0.02 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1a3x n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a3x s VAL 207 N -3.33 4.71 0.05 1.61 -7.23 -0.86 -4.88 120.40 110.47 1a3x s VAL 207 Ca 0.49 1.69 0.19 0.00 -1.81 0.00 0.00 61.98 62.54 1a3x s VAL 207 Cb -0.22 -4.14 0.14 0.00 0.56 0.00 0.00 36.38 32.71 1a3x s VAL 207 CO 0.74 0.35 1.66 0.45 -0.31 0.00 0.00 175.10 178.00 1a3x h HIS 208 N 5.71 0.00 -2.83 2.82 3.86 -1.73 -3.44 115.15 119.53 1a3x h HIS 208 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1a3x h HIS 208 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1a3x h HIS 208 CO 0.65 0.38 0.00 -1.33 0.86 0.00 0.00 177.93 178.49 1a3x n MET 209 N -3.40 3.29 -3.65 2.45 2.81 -1.21 -1.78 117.12 115.64 1a3x n MET 209 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1a3x n MET 209 Cb 0.56 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.01 1a3x n MET 209 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1a3x s VAL 210 N 0.54 0.00 -0.71 2.03 1.01 -0.68 -3.91 120.40 118.69 1a3x s VAL 210 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1a3x s VAL 210 Cb 0.00 -1.00 0.17 0.00 0.00 0.00 0.00 36.38 35.55 1a3x s VAL 210 CO 0.00 0.00 0.52 -0.36 0.00 0.00 0.00 175.10 175.26 1a3x s PHE 211 N 1.11 3.55 -0.18 5.22 0.08 -0.10 -0.47 117.98 127.19 1a3x s PHE 211 Ca -0.08 -3.09 -0.28 0.00 0.12 0.00 0.00 56.93 53.59 1a3x s PHE 211 Cb -0.03 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 1a3x s PHE 211 CO -0.12 -0.70 2.15 0.00 -0.10 0.00 0.00 175.22 176.46 1a3x s ALA 212 N -0.91 2.88 0.66 5.36 0.00 -1.15 -3.47 121.76 125.13 1a3x s ALA 212 Ca 0.22 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 1a3x s ALA 212 Cb -0.13 -4.03 -0.00 0.00 0.00 0.00 0.00 23.12 18.96 1a3x s ALA 212 CO -0.09 -2.58 1.08 -1.12 0.00 0.00 0.00 175.76 173.05 1a3x s SER 213 N 7.52 5.28 -1.47 0.00 0.01 -1.26 -1.91 113.70 121.87 1a3x s SER 213 Ca 0.97 1.84 -0.01 0.00 1.31 0.00 0.00 55.95 60.06 1a3x s SER 213 Cb -0.34 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.37 1a3x s SER 213 CO 0.36 -1.51 0.33 0.49 0.41 0.00 0.00 173.24 173.32 1a3x n PHE 214 N -2.60 -1.54 -2.55 2.43 3.72 -1.25 -4.70 117.46 110.97 1a3x n PHE 214 Ca 0.09 0.71 -0.41 0.00 -0.05 0.00 0.00 57.45 57.79 1a3x n PHE 214 Cb 0.53 -3.42 -0.04 0.00 -0.94 0.00 0.00 39.48 35.61 1a3x n PHE 214 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a3x s ILE 215 N -4.03 4.14 -0.12 4.37 -1.09 -1.13 -4.74 121.20 118.60 1a3x s ILE 215 Ca 0.06 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 1a3x s ILE 215 Cb -0.03 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 1a3x s ILE 215 CO 0.92 0.23 -0.07 0.54 -1.23 0.00 0.00 174.94 175.33 1a3x n ARG 216 N 3.02 0.93 -4.11 2.79 1.74 -1.26 -3.97 116.66 115.80 1a3x n ARG 216 Ca 0.05 0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 1a3x n ARG 216 Cb 0.47 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 1a3x n ARG 216 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a3x s THR 217 N -2.24 0.00 0.24 0.55 -4.23 -1.26 -4.02 115.64 104.67 1a3x s THR 217 Ca -0.13 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 1a3x s THR 217 Cb 0.04 -2.36 0.19 0.00 1.34 0.00 0.00 72.50 71.71 1a3x s THR 217 CO 0.32 -0.02 1.80 0.00 -0.54 0.00 0.00 174.62 176.18 1a3x h ALA 218 N 2.48 1.08 -0.49 3.99 0.00 -1.91 -2.02 119.26 122.39 1a3x h ALA 218 Ca -0.32 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1a3x h ALA 218 Cb 1.25 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1a3x h ALA 218 CO 0.46 0.03 -0.08 -0.91 0.00 0.00 0.00 179.25 178.75 1a3x h ASN 219 N 0.70 -0.37 -1.00 0.00 4.21 -1.97 0.13 115.58 117.28 1a3x h ASN 219 Ca 0.37 0.14 0.31 0.00 1.21 0.00 0.00 56.30 58.33 1a3x h ASN 219 Cb 0.37 0.27 -0.14 0.00 -1.12 0.00 0.00 38.32 37.69 1a3x h ASN 219 CO -0.26 -0.13 0.58 0.44 -1.29 0.00 0.00 177.43 176.77 1a3x h ASP 220 N 0.04 0.54 -0.03 5.81 3.32 -1.78 0.67 116.42 124.98 1a3x h ASP 220 Ca 0.24 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 1a3x h ASP 220 Cb 0.37 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1a3x h ASP 220 CO -0.47 -0.10 -0.07 0.58 -1.72 0.00 0.00 179.24 177.46 1a3x h VAL 221 N 0.37 1.45 -0.98 -1.35 2.07 -0.81 -2.20 116.25 114.80 1a3x h VAL 221 Ca 0.72 -1.44 0.13 0.00 0.82 0.00 0.00 66.70 66.94 1a3x h VAL 221 Cb 1.60 2.33 -0.09 0.00 -1.52 0.00 0.00 31.29 33.62 1a3x h VAL 221 CO -0.58 0.39 0.61 -0.07 0.02 0.00 0.00 177.57 177.93 1a3x h LEU 222 N -0.44 0.87 -0.11 2.57 4.07 0.90 -0.07 115.31 123.09 1a3x h LEU 222 Ca -0.00 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1a3x h LEU 222 Cb 0.67 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1a3x h LEU 222 CO 0.02 0.44 0.03 0.74 -1.08 0.00 0.00 178.44 178.59 1a3x h THR 223 N 0.93 1.18 0.00 0.22 2.02 0.18 -2.38 112.91 115.05 1a3x h THR 223 Ca 0.50 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1a3x h THR 223 Cb 0.55 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1a3x h THR 223 CO -0.29 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.76 1a3x n ILE 224 N -4.88 0.78 0.05 3.11 3.06 -0.83 -1.07 119.36 119.57 1a3x n ILE 224 Ca -0.06 0.15 -0.20 0.00 -2.50 0.00 0.00 62.75 60.14 1a3x n ILE 224 Cb 0.14 -0.99 -0.13 0.00 0.54 0.00 0.00 39.64 39.20 1a3x n ILE 224 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1a3x h ARG 225 N 0.00 0.44 0.10 9.51 2.43 -0.55 -2.81 114.38 123.50 1a3x h ARG 225 Ca 0.00 -0.59 -0.27 0.00 -0.81 0.00 0.00 59.98 58.31 1a3x h ARG 225 Cb 0.40 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1a3x h ARG 225 CO 0.00 1.24 -1.27 1.05 -1.51 0.00 0.00 179.97 179.48 1a3x h GLU 226 N -0.07 0.20 -0.83 0.20 4.11 -1.17 -3.09 114.58 113.93 1a3x h GLU 226 Ca -0.13 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1a3x h GLU 226 Cb 1.61 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.95 1a3x h GLU 226 CO 0.17 1.13 0.54 0.28 0.07 0.00 0.00 179.01 181.19 1a3x h VAL 227 N 0.06 1.22 -0.82 -1.06 2.07 -1.22 0.15 116.25 116.65 1a3x h VAL 227 Ca -0.14 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1a3x h VAL 227 Cb 1.94 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1a3x h VAL 227 CO 0.18 0.21 0.51 -0.07 0.02 0.00 0.00 177.57 178.42 1a3x h LEU 228 N 1.13 0.83 0.00 2.57 -0.00 -1.49 -3.45 115.31 114.90 1a3x h LEU 228 Ca 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1a3x h LEU 228 Cb -0.11 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.38 1a3x h LEU 228 CO -0.06 0.55 0.00 0.61 -0.00 0.00 0.00 178.44 179.54 1a3x n GLY 229 N -1.32 -0.80 0.37 0.83 0.00 0.53 -3.77 105.19 101.03 1a3x n GLY 229 Ca 0.11 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1a3x n GLY 229 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a3x h GLU 230 N 0.00 1.20 0.00 1.61 3.07 -1.90 -0.94 114.58 117.62 1a3x h GLU 230 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1a3x h GLU 230 Cb 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 1a3x h GLU 230 CO 0.00 0.79 0.00 1.96 -1.40 0.00 0.00 179.01 180.36 1a3x h GLN 231 N 1.24 0.00 -0.20 2.33 7.50 -1.99 -3.01 115.11 120.97 1a3x h GLN 231 Ca 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.49 1a3x h GLN 231 Cb -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1a3x h GLN 231 CO -0.12 0.00 -0.05 0.41 -1.50 0.00 0.00 178.83 177.58 1a3x n GLY 232 N 0.00 4.51 0.29 3.46 0.00 -0.39 -4.62 105.19 108.45 1a3x n GLY 232 Ca 0.02 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1a3x n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3x h LYS 233 N 1.13 0.91 0.00 1.61 1.79 -1.34 -2.75 116.57 117.92 1a3x h LYS 233 Ca 0.05 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1a3x h LYS 233 Cb 1.37 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1a3x h LYS 233 CO 0.20 0.94 0.00 -0.40 -1.08 0.00 0.00 179.45 179.10 1a3x n ASP 234 N -4.17 0.00 -4.88 0.86 5.68 -1.26 -4.81 116.55 107.97 1a3x n ASP 234 Ca 0.02 -0.92 -0.33 0.00 -0.50 0.00 0.00 54.79 53.06 1a3x n ASP 234 Cb 0.35 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 1a3x n ASP 234 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1a3x s VAL 235 N -2.00 5.26 0.05 2.12 -7.23 -1.04 -5.00 120.40 112.56 1a3x s VAL 235 Ca 0.31 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 60.04 1a3x s VAL 235 Cb 0.14 -3.46 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 1a3x s VAL 235 CO 0.24 0.31 0.58 -0.54 -0.31 0.00 0.00 175.10 175.38 1a3x s LYS 236 N -1.94 4.24 -0.44 4.82 -0.14 -0.73 -4.98 119.74 120.56 1a3x s LYS 236 Ca 0.27 0.73 -0.15 0.00 -1.36 0.00 0.00 55.97 55.46 1a3x s LYS 236 Cb -0.12 -3.27 0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1a3x s LYS 236 CO 0.18 0.55 0.35 0.42 -0.76 0.00 0.00 175.35 176.09 1a3x s ILE 237 N -0.81 5.18 -0.73 2.17 1.01 -1.26 -1.69 121.20 125.06 1a3x s ILE 237 Ca 0.30 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 1a3x s ILE 237 Cb -0.19 -4.01 0.19 0.00 0.01 0.00 0.00 42.46 38.46 1a3x s ILE 237 CO 0.18 -0.47 0.65 -0.63 0.00 0.00 0.00 174.94 174.67 1a3x s ILE 238 N 1.64 5.13 0.24 2.92 -1.09 0.38 -2.51 121.20 127.91 1a3x s ILE 238 Ca 0.04 -2.40 -0.30 0.00 -2.23 0.00 0.00 60.65 55.76 1a3x s ILE 238 Cb -0.22 -4.22 -0.14 0.00 -1.58 0.00 0.00 42.46 36.30 1a3x s ILE 238 CO 0.08 -0.97 1.14 0.52 -1.23 0.00 0.00 174.94 174.48 1a3x n VAL 239 N 4.10 1.44 -3.77 2.92 0.31 -1.20 -2.92 118.33 119.21 1a3x n VAL 239 Ca 0.08 -0.36 -0.37 0.00 -0.01 0.00 0.00 64.34 63.68 1a3x n VAL 239 Cb 0.44 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 1a3x n VAL 239 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a3x s LYS 240 N -0.97 2.70 -0.50 5.55 1.02 -0.80 0.12 119.74 126.85 1a3x s LYS 240 Ca 0.65 -1.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 1a3x s LYS 240 Cb -0.74 -3.40 0.04 0.00 -0.52 0.00 0.00 37.83 33.21 1a3x s LYS 240 CO 0.56 -0.61 0.76 0.42 -0.92 0.00 0.00 175.35 175.55 1a3x s ILE 241 N 1.41 4.67 -0.01 2.17 -1.09 -0.61 -2.85 121.20 124.88 1a3x s ILE 241 Ca -0.01 -0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.42 1a3x s ILE 241 Cb -0.19 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.35 1a3x s ILE 241 CO 0.02 -0.86 0.90 -1.84 -1.23 0.00 0.00 174.94 171.93 1a3x n GLU 242 N 6.70 0.23 -4.02 2.79 0.28 -1.26 -2.34 120.64 123.03 1a3x n GLU 242 Ca -0.02 -1.05 -0.10 0.00 -0.16 0.00 0.00 57.16 55.83 1a3x n GLU 242 Cb 0.47 -0.61 -0.05 0.00 1.43 0.00 0.00 31.44 32.68 1a3x n GLU 242 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a3x s ASN 243 N -0.95 0.11 0.19 -1.84 4.22 -1.26 -2.76 114.94 112.65 1a3x s ASN 243 Ca 0.03 -1.07 -0.07 0.00 -2.14 0.00 0.00 52.86 49.62 1a3x s ASN 243 Cb 0.03 0.61 0.10 0.00 1.28 0.00 0.00 41.25 43.26 1a3x s ASN 243 CO 0.00 -1.19 1.57 -0.61 -2.04 0.00 0.00 177.10 174.84 1a3x h GLN 244 N 2.23 0.83 -0.24 3.55 5.75 -1.96 -2.57 115.11 122.70 1a3x h GLN 244 Ca -0.27 -0.37 0.03 0.00 -0.15 0.00 0.00 58.65 57.88 1a3x h GLN 244 Cb 1.25 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1a3x h GLN 244 CO 0.37 1.01 0.16 0.37 -2.65 0.00 0.00 178.83 178.09 1a3x h GLN 245 N 0.70 0.20 0.00 1.69 4.15 -1.91 0.44 115.11 120.38 1a3x h GLN 245 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1a3x h GLN 245 Cb 0.83 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1a3x h GLN 245 CO 0.07 0.13 -0.17 0.78 -1.93 0.00 0.00 178.83 177.71 1a3x h GLY 246 N 0.20 0.00 0.03 2.39 0.00 -1.59 -3.33 103.07 100.77 1a3x h GLY 246 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.05 1a3x h GLY 246 CO -0.02 0.00 -2.09 1.55 0.00 0.00 0.00 176.54 175.98 1a3x n VAL 247 N -2.87 1.54 0.29 4.60 3.14 -0.52 -2.31 118.33 122.20 1a3x n VAL 247 Ca 0.04 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1a3x n VAL 247 Cb 0.51 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 1a3x n VAL 247 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a3x n ASN 248 N -4.21 0.82 0.00 6.55 4.13 0.14 -1.31 115.26 121.38 1a3x n ASN 248 Ca -0.46 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.23 1a3x n ASN 248 Cb 0.83 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 1a3x n ASN 248 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1a3x n ASN 249 N 0.82 0.00 -0.27 6.41 3.02 -1.25 -4.97 115.26 119.03 1a3x n ASN 249 Ca 0.00 -0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1a3x n ASN 249 Cb 0.14 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.39 1a3x n ASN 249 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1a3x n PHE 250 N 0.00 0.19 -0.18 3.10 7.35 -0.43 -1.51 117.46 125.98 1a3x n PHE 250 Ca 0.00 0.88 -0.00 0.00 -0.76 0.00 0.00 57.45 57.57 1a3x n PHE 250 Cb 0.03 -0.88 0.09 0.00 0.35 0.00 0.00 39.48 39.07 1a3x n PHE 250 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1a3x h ASP 251 N 0.00 -0.09 0.87 -2.13 3.32 -1.89 0.92 116.42 117.42 1a3x h ASP 251 Ca 0.32 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.40 1a3x h ASP 251 Cb 0.50 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1a3x h ASP 251 CO -0.74 -0.03 -0.39 -0.08 -1.72 0.00 0.00 179.24 176.28 1a3x h GLU 252 N 0.20 0.00 0.02 3.56 4.57 -1.69 -3.07 114.58 118.18 1a3x h GLU 252 Ca 0.29 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.24 1a3x h GLU 252 Cb 0.44 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1a3x h GLU 252 CO -0.42 0.39 -0.92 0.82 -1.18 0.00 0.00 179.01 177.70 1a3x h ILE 253 N 0.00 1.34 -0.89 2.32 2.04 -0.78 -3.21 117.51 118.32 1a3x h ILE 253 Ca -0.00 -2.23 0.15 0.00 1.00 0.00 0.00 64.86 63.78 1a3x h ILE 253 Cb 0.93 2.54 -0.07 0.00 -0.74 0.00 0.00 36.82 39.48 1a3x h ILE 253 CO 0.05 0.67 0.58 0.25 0.00 0.00 0.00 178.15 179.70 1a3x h LEU 254 N 0.18 0.62 0.00 1.44 6.46 0.85 -2.84 115.31 122.02 1a3x h LEU 254 Ca -0.12 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1a3x h LEU 254 Cb 1.60 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 1a3x h LEU 254 CO 0.18 0.30 0.00 0.29 -0.62 0.00 0.00 178.44 178.59 1a3x n LYS 255 N -4.56 0.00 0.26 1.25 4.76 -1.17 -3.22 118.16 115.48 1a3x n LYS 255 Ca 0.18 0.64 0.14 0.00 -2.87 0.00 0.00 58.31 56.40 1a3x n LYS 255 Cb 0.51 -1.30 0.65 0.00 -1.84 0.00 0.00 35.03 33.06 1a3x n LYS 255 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1a3x h VAL 256 N 0.00 0.31 -4.22 -0.18 -1.51 -1.69 -3.46 116.25 105.50 1a3x h VAL 256 Ca 0.00 -0.70 -0.48 0.00 -1.23 0.00 0.00 66.70 64.30 1a3x h VAL 256 Cb 0.00 1.53 0.13 0.00 -2.13 0.00 0.00 31.29 30.81 1a3x h VAL 256 CO 0.00 0.10 0.30 0.28 -1.23 0.00 0.00 177.57 177.03 1a3x s THR 257 N -3.81 2.61 -0.17 7.19 -1.32 -1.08 -5.00 115.64 114.06 1a3x s THR 257 Ca -0.00 0.20 -0.13 0.00 -1.21 0.00 0.00 61.69 60.55 1a3x s THR 257 Cb 0.11 -2.89 -0.22 0.00 -1.51 0.00 0.00 72.50 67.98 1a3x s THR 257 CO 0.57 -0.26 0.24 0.47 -2.21 0.00 0.00 174.62 173.44 1a3x n ASP 258 N -3.65 2.01 -0.60 8.08 9.92 -1.19 -5.00 116.55 126.12 1a3x n ASP 258 Ca 0.07 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1a3x n ASP 258 Cb 0.57 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1a3x n ASP 258 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a3x n GLY 259 N 1.75 4.24 3.63 0.44 0.00 -1.04 -3.81 105.19 110.39 1a3x n GLY 259 Ca -0.34 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1a3x n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3x s VAL 260 N -1.77 0.00 -0.07 1.61 0.11 -0.80 -3.26 120.40 116.22 1a3x s VAL 260 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1a3x s VAL 260 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1a3x s VAL 260 CO 0.00 0.00 -0.17 -0.32 -3.33 0.00 0.00 175.10 171.28 1a3x s MET 261 N 0.53 2.11 -1.01 1.54 0.00 0.31 -1.41 119.30 121.37 1a3x s MET 261 Ca -0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 55.69 54.86 1a3x s MET 261 Cb -0.05 -1.70 0.03 0.00 0.00 0.00 0.00 34.83 33.11 1a3x s MET 261 CO -0.03 0.12 1.55 0.08 0.00 0.00 0.00 175.02 176.74 1a3x s VAL 262 N 0.42 3.84 -1.09 10.11 1.01 -0.08 -1.58 120.40 133.04 1a3x s VAL 262 Ca -0.13 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1a3x s VAL 262 Cb -0.15 -4.88 -0.12 0.00 0.00 0.00 0.00 36.38 31.22 1a3x s VAL 262 CO 0.05 -1.76 1.94 0.00 0.00 0.00 0.00 175.10 175.32 1a3x n ALA 263 N 9.80 1.85 0.03 5.51 0.00 -0.99 -3.38 120.51 133.33 1a3x n ALA 263 Ca 0.35 -2.98 -0.12 0.00 0.00 0.00 0.00 53.44 50.69 1a3x n ALA 263 Cb 0.50 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 16.40 1a3x n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3x h ARG 264 N 9.63 -0.48 0.00 0.00 3.08 -1.79 -2.94 114.38 121.87 1a3x h ARG 264 Ca 0.23 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1a3x h ARG 264 Cb 0.90 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1a3x h ARG 264 CO 1.33 -0.32 0.00 0.41 -1.07 0.00 0.00 179.97 180.32 1a3x n GLY 265 N -1.43 -0.37 0.26 0.04 0.00 -1.26 0.61 105.19 103.03 1a3x n GLY 265 Ca -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1a3x n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a3x h ASP 266 N 0.00 0.61 -0.89 1.61 5.19 -1.86 -2.17 116.42 118.91 1a3x h ASP 266 Ca 0.00 0.01 0.24 0.00 -0.62 0.00 0.00 57.03 56.66 1a3x h ASP 266 Cb 0.00 -0.11 -0.15 0.00 0.18 0.00 0.00 39.33 39.25 1a3x h ASP 266 CO 0.00 0.41 0.18 0.25 -3.12 0.00 0.00 179.24 176.96 1a3x h LEU 267 N 0.74 -0.13 -1.64 1.55 5.85 -1.14 3.10 115.31 123.65 1a3x h LEU 267 Ca 0.28 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 1a3x h LEU 267 Cb 0.09 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1a3x h LEU 267 CO -0.14 -0.21 -0.06 1.23 -0.34 0.00 0.00 178.44 178.93 1a3x h GLY 268 N 0.15 0.00 0.27 3.75 0.00 0.84 -1.00 103.07 107.07 1a3x h GLY 268 Ca 0.56 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.59 1a3x h GLY 268 CO -0.71 0.00 -1.59 1.39 0.00 0.00 0.00 176.54 175.62 1a3x n ILE 269 N -3.21 1.65 0.08 2.60 2.08 0.63 -3.99 119.36 119.20 1a3x n ILE 269 Ca -0.00 -0.30 -0.11 0.00 0.56 0.00 0.00 62.75 62.89 1a3x n ILE 269 Cb 0.29 -1.91 -0.07 0.00 -0.75 0.00 0.00 39.64 37.20 1a3x n ILE 269 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1a3x h GLU 270 N -0.54 -0.51 -6.13 0.38 4.57 0.49 -3.44 114.58 109.40 1a3x h GLU 270 Ca -0.39 0.03 -0.50 0.00 -1.18 0.00 0.00 59.36 57.32 1a3x h GLU 270 Cb 1.63 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 30.29 1a3x h GLU 270 CO -0.08 -0.34 -0.41 0.96 -1.18 0.00 0.00 179.01 177.96 1a3x s ILE 271 N -4.89 2.70 0.36 2.32 -4.36 -0.40 -4.59 121.20 112.35 1a3x s ILE 271 Ca -0.11 -1.41 -0.25 0.00 -0.26 0.00 0.00 60.65 58.62 1a3x s ILE 271 Cb 0.04 -3.02 -0.13 0.00 1.25 0.00 0.00 42.46 40.60 1a3x s ILE 271 CO 0.41 -0.02 0.73 -2.65 0.24 0.00 0.00 174.94 173.65 1a3x n PRO 272 N -1.47 0.82 0.17 0.37 -0.02 -1.26 -4.53 135.00 129.08 1a3x n PRO 272 Ca 0.02 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 1a3x n PRO 272 Cb 0.62 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 1a3x n PRO 272 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3x h ALA 273 N 1.23 -0.40 -0.65 3.55 0.00 -1.91 -3.01 119.26 118.07 1a3x h ALA 273 Ca -0.39 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.46 1a3x h ALA 273 Cb 1.38 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1a3x h ALA 273 CO 0.55 -0.65 0.43 -1.00 0.00 0.00 0.00 179.25 178.58 1a3x h PRO 274 N -0.55 0.57 -0.94 0.00 0.13 -1.93 -2.29 132.00 126.98 1a3x h PRO 274 Ca -0.04 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 65.24 1a3x h PRO 274 Cb 0.41 -0.13 -0.08 0.00 0.13 0.00 0.00 31.00 31.33 1a3x h PRO 274 CO 0.07 0.37 0.60 0.93 -0.23 0.00 0.00 178.00 179.74 1a3x h GLU 275 N 0.58 0.59 -0.58 0.86 5.08 -1.89 -2.71 114.58 116.50 1a3x h GLU 275 Ca 0.29 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1a3x h GLU 275 Cb 0.38 -0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1a3x h GLU 275 CO -0.09 0.39 -0.28 0.28 -1.00 0.00 0.00 179.01 178.30 1a3x h VAL 276 N 0.60 0.23 -0.66 3.13 2.07 -1.46 -0.45 116.25 119.71 1a3x h VAL 276 Ca 0.50 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.12 1a3x h VAL 276 Cb 0.97 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1a3x h VAL 276 CO -0.25 0.00 -0.27 -0.11 0.02 0.00 0.00 177.57 176.96 1a3x n LEU 277 N -5.44 -0.45 0.11 2.57 7.94 -1.02 0.16 117.00 120.87 1a3x n LEU 277 Ca 0.05 1.15 -0.23 0.00 -1.11 0.00 0.00 56.01 55.87 1a3x n LEU 277 Cb 0.35 -0.25 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 1a3x n LEU 277 CO 0.02 -1.03 -0.16 0.00 -1.11 0.00 0.00 177.39 175.11 1a3x h ALA 278 N 0.86 -0.12 0.00 1.96 0.00 -1.62 -3.20 119.26 117.14 1a3x h ALA 278 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1a3x h ALA 278 Cb 0.38 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a3x h ALA 278 CO -0.65 0.60 0.00 0.28 0.00 0.00 0.00 179.25 179.48 1a3x n VAL 279 N -3.85 0.66 -0.04 0.00 0.31 0.15 -1.59 118.33 113.96 1a3x n VAL 279 Ca -0.16 0.16 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1a3x n VAL 279 Cb 1.01 -1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.88 1a3x n VAL 279 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1a3x n GLN 280 N -1.22 0.28 -0.04 5.55 7.27 0.43 -4.05 117.38 125.60 1a3x n GLN 280 Ca 0.04 0.32 0.17 0.00 0.07 0.00 0.00 57.00 57.60 1a3x n GLN 280 Cb 0.05 -1.21 0.61 0.00 2.41 0.00 0.00 30.24 32.10 1a3x n GLN 280 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1a3x h LYS 281 N -0.58 0.16 -0.34 3.69 1.57 -1.53 -1.54 116.57 117.99 1a3x h LYS 281 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1a3x h LYS 281 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1a3x h LYS 281 CO 0.00 0.10 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.74 1a3x h LYS 282 N 0.16 0.61 -0.02 3.15 3.64 -1.51 -0.56 116.57 122.03 1a3x h LYS 282 Ca 0.27 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1a3x h LYS 282 Cb 0.85 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1a3x h LYS 282 CO -0.04 0.75 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.15 1a3x h LEU 283 N 0.41 0.12 -0.11 5.20 4.07 -1.45 -0.50 115.31 123.04 1a3x h LEU 283 Ca 0.09 -0.08 -0.18 0.00 0.08 0.00 0.00 57.88 57.79 1a3x h LEU 283 Cb 0.49 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.20 1a3x h LEU 283 CO 0.02 0.76 -0.65 0.40 -1.08 0.00 0.00 178.44 177.89 1a3x h ILE 284 N 0.07 1.33 -0.29 1.22 2.04 -1.30 -0.58 117.51 120.00 1a3x h ILE 284 Ca -0.01 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 1a3x h ILE 284 Cb 1.19 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1a3x h ILE 284 CO 0.09 0.59 0.14 0.00 0.00 0.00 0.00 178.15 178.98 1a3x h ALA 285 N 0.49 0.38 -0.54 1.87 0.00 -1.02 0.13 119.26 120.56 1a3x h ALA 285 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1a3x h ALA 285 Cb 1.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1a3x h ALA 285 CO 0.13 -0.06 0.26 0.87 0.00 0.00 0.00 179.25 180.45 1a3x h LYS 286 N 0.34 0.76 0.07 0.00 1.57 -1.08 -1.81 116.57 116.42 1a3x h LYS 286 Ca 0.10 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a3x h LYS 286 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1a3x h LYS 286 CO -0.01 0.59 -0.04 0.77 -0.57 0.00 0.00 179.45 180.19 1a3x h SER 287 N 0.76 -0.08 -0.63 0.86 0.02 -0.49 -2.13 113.55 111.86 1a3x h SER 287 Ca 0.19 -0.29 0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1a3x h SER 287 Cb 0.08 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.54 1a3x h SER 287 CO -0.03 0.25 0.01 0.78 -1.14 0.00 0.00 176.83 176.71 1a3x h ASN 288 N -0.43 -0.26 0.11 3.07 -0.26 -0.37 0.39 115.58 117.82 1a3x h ASN 288 Ca -0.01 0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1a3x h ASN 288 Cb 0.37 0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 1a3x h ASN 288 CO 0.02 -0.11 -0.10 0.25 -1.06 0.00 0.00 177.43 176.43 1a3x h LEU 289 N 0.12 -0.25 -2.38 1.61 5.85 -1.27 0.42 115.31 119.42 1a3x h LEU 289 Ca 0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1a3x h LEU 289 Cb 0.54 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1a3x h LEU 289 CO -0.53 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.41 1a3x h ALA 290 N 0.65 1.00 0.00 1.25 0.00 -0.47 -3.45 119.26 118.24 1a3x h ALA 290 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a3x h ALA 290 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a3x h ALA 290 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1a3x n GLY 291 N -0.91 1.11 3.78 0.00 0.00 0.12 -5.03 105.19 104.26 1a3x n GLY 291 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1a3x n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3x s LYS 292 N -0.20 4.54 0.01 1.61 1.02 -1.10 -4.79 119.74 120.83 1a3x s LYS 292 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1a3x s LYS 292 Cb 0.00 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 33.96 1a3x s LYS 292 CO 0.00 0.58 2.00 -0.35 -0.92 0.00 0.00 175.35 176.65 1a3x n PRO 293 N 1.61 2.78 -4.12 -1.68 -0.04 -1.25 -4.38 135.00 127.92 1a3x n PRO 293 Ca -0.06 1.00 -0.28 0.00 -0.04 0.00 0.00 63.50 64.12 1a3x n PRO 293 Cb 0.49 -3.02 -0.07 0.00 -0.04 0.00 0.00 33.50 30.86 1a3x n PRO 293 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a3x s VAL 294 N 4.78 4.16 -0.04 0.52 0.11 -1.26 -1.90 120.40 126.77 1a3x s VAL 294 Ca 0.90 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1a3x s VAL 294 Cb -0.44 -3.05 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1a3x s VAL 294 CO 0.42 0.00 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.50 1a3x s ILE 295 N -1.55 0.61 -0.05 7.04 1.01 -0.50 -1.03 121.20 126.74 1a3x s ILE 295 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1a3x s ILE 295 Cb -0.11 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1a3x s ILE 295 CO 0.20 0.23 0.31 0.00 0.00 0.00 0.00 174.94 175.68 1a3x s ALA 297 N -0.98 -1.04 0.00 0.00 0.00 -1.22 -1.67 121.76 116.86 1a3x s ALA 297 Ca 0.20 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1a3x s ALA 297 Cb -0.15 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1a3x s ALA 297 CO 0.10 -0.35 0.00 2.41 0.00 0.00 0.00 175.76 177.92 1a3x n THR 298 N 0.94 -0.78 -2.57 0.00 -1.04 -1.26 -3.23 114.28 106.34 1a3x n THR 298 Ca -0.20 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.63 1a3x n THR 298 Cb 0.57 -0.78 -0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1a3x n THR 298 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a3x n GLN 299 N 0.93 -2.46 0.02 -2.82 6.02 -1.26 -4.82 117.38 112.99 1a3x n GLN 299 Ca 0.00 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.64 1a3x n GLN 299 Cb 0.00 -5.50 -0.07 0.00 1.02 0.00 0.00 30.24 25.69 1a3x n GLN 299 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a3x h MET 300 N -0.27 0.66 -0.56 -1.09 2.86 -1.91 -3.32 114.93 111.30 1a3x h MET 300 Ca -0.43 -0.63 -0.32 0.00 -2.06 0.00 0.00 59.70 56.26 1a3x h MET 300 Cb 1.31 0.16 -0.41 0.00 0.06 0.00 0.00 31.60 32.72 1a3x h MET 300 CO 0.50 1.23 -1.05 1.28 1.06 0.00 0.00 176.91 179.93 1a3x n LEU 301 N -3.86 2.39 -0.23 1.22 4.77 -1.26 -4.31 117.00 115.71 1a3x n LEU 301 Ca -0.08 -3.50 -0.05 0.00 -0.03 0.00 0.00 56.01 52.35 1a3x n LEU 301 Cb 0.81 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1a3x n LEU 301 CO 0.53 1.33 0.61 -0.08 -1.33 0.00 0.00 177.39 178.45 1a3x h GLU 302 N 2.54 -0.14 -0.02 3.23 4.57 -1.95 0.33 114.58 123.13 1a3x h GLU 302 Ca -0.01 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1a3x h GLU 302 Cb 1.32 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1a3x h GLU 302 CO 0.34 -0.10 0.02 0.66 -1.18 0.00 0.00 179.01 178.76 1a3x h SER 303 N -0.15 0.00 0.00 1.04 4.64 -1.92 -1.94 113.55 115.22 1a3x h SER 303 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1a3x h SER 303 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a3x h SER 303 CO -0.73 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.46 1a3x n MET 304 N -4.05 0.40 -0.11 4.77 2.81 0.12 -1.78 117.12 119.28 1a3x n MET 304 Ca -0.03 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.62 1a3x n MET 304 Cb 0.11 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.32 1a3x n MET 304 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1a3x n THR 305 N 0.23 1.56 1.01 2.03 -1.04 -0.73 -4.36 114.28 112.99 1a3x n THR 305 Ca 0.00 -0.27 0.11 0.00 -2.04 0.00 0.00 64.05 61.85 1a3x n THR 305 Cb 0.09 -1.90 0.02 0.00 -1.82 0.00 0.00 70.33 66.72 1a3x n THR 305 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1a3x n TYR 306 N -4.17 0.00 -4.19 -1.42 4.01 -0.74 -1.54 117.16 109.12 1a3x n TYR 306 Ca -0.42 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.15 1a3x n TYR 306 Cb 0.82 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.67 1a3x n TYR 306 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1a3x s ASN 307 N -2.91 1.67 0.16 7.72 -0.87 -0.73 -5.01 114.94 114.97 1a3x s ASN 307 Ca 0.11 -0.71 0.10 0.00 -1.57 0.00 0.00 52.86 50.79 1a3x s ASN 307 Cb 0.17 -0.04 -0.13 0.00 -0.02 0.00 0.00 41.25 41.23 1a3x s ASN 307 CO 0.77 -0.14 1.31 1.55 -2.57 0.00 0.00 177.10 178.01 1a3x h PRO 308 N 3.93 0.00 -5.40 -0.60 0.13 -1.87 -3.37 132.00 124.81 1a3x h PRO 308 Ca -0.40 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.11 1a3x h PRO 308 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1a3x h PRO 308 CO 0.46 0.84 -0.51 0.50 -0.23 0.00 0.00 178.00 179.05 1a3x s ARG 309 N -2.78 3.89 0.78 0.86 3.52 -1.26 -4.92 118.95 119.04 1a3x s ARG 309 Ca 0.02 -0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 55.28 1a3x s ARG 309 Cb 0.09 -3.28 0.10 0.00 -1.56 0.00 0.00 34.95 30.30 1a3x s ARG 309 CO 0.80 0.43 1.12 -1.25 -0.81 0.00 0.00 175.30 175.59 1a3x s PRO 310 N -0.05 1.79 0.76 5.12 0.04 -1.26 -4.63 135.00 136.77 1a3x s PRO 310 Ca 0.09 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 60.82 1a3x s PRO 310 Cb -0.12 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.52 1a3x s PRO 310 CO 0.00 -1.58 1.04 0.25 0.04 0.00 0.00 177.00 176.75 1a3x n THR 311 N -3.18 0.00 -0.03 1.26 -2.24 -1.26 -4.94 114.28 103.88 1a3x n THR 311 Ca 0.10 -1.37 -0.14 0.00 -2.27 0.00 0.00 64.05 60.37 1a3x n THR 311 Cb 0.60 -1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 1a3x n THR 311 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a3x h ARG 312 N 0.00 0.13 -0.20 -0.78 2.47 -1.99 -2.59 114.38 111.42 1a3x h ARG 312 Ca -0.34 -0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.33 1a3x h ARG 312 Cb 1.17 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 1a3x h ARG 312 CO 0.33 0.68 -0.05 0.00 0.56 0.00 0.00 179.97 181.49 1a3x h ALA 313 N 0.45 0.13 -0.30 0.04 0.00 -1.95 0.17 119.26 117.80 1a3x h ALA 313 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a3x h ALA 313 Cb 0.68 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1a3x h ALA 313 CO 0.02 -0.48 0.10 0.93 0.00 0.00 0.00 179.25 179.82 1a3x h GLU 314 N -0.00 0.22 0.65 0.00 5.08 -1.75 -1.82 114.58 116.96 1a3x h GLU 314 Ca 0.10 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1a3x h GLU 314 Cb 0.15 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1a3x h GLU 314 CO -0.21 0.15 -0.31 0.28 -1.00 0.00 0.00 179.01 177.92 1a3x h VAL 315 N 0.23 0.29 0.00 3.13 2.07 -1.28 -1.93 116.25 118.76 1a3x h VAL 315 Ca 0.13 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1a3x h VAL 315 Cb 0.10 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1a3x h VAL 315 CO -0.14 0.02 -0.04 -1.20 0.02 0.00 0.00 177.57 176.24 1a3x n SER 316 N -5.41 3.78 0.00 0.57 7.64 0.59 -1.52 113.62 119.27 1a3x n SER 316 Ca -0.13 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.70 1a3x n SER 316 Cb 0.37 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1a3x n SER 316 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a3x n ASP 317 N 1.92 0.00 -0.03 6.43 2.03 -0.71 -4.62 116.55 121.56 1a3x n ASP 317 Ca 0.09 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.26 1a3x n ASP 317 Cb 0.44 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.75 1a3x n ASP 317 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1a3x h VAL 318 N 0.00 1.42 -0.39 5.18 2.07 -0.47 -2.10 116.25 121.95 1a3x h VAL 318 Ca 0.00 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1a3x h VAL 318 Cb 0.00 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1a3x h VAL 318 CO 0.00 0.39 0.17 1.23 0.02 0.00 0.00 177.57 179.38 1a3x h GLY 319 N -0.33 0.62 0.92 2.17 0.00 -1.76 -3.16 103.07 101.53 1a3x h GLY 319 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1a3x h GLY 319 CO 0.02 0.31 0.05 3.43 0.00 0.00 0.00 176.54 180.36 1a3x h ASN 320 N 0.49 0.07 -0.90 0.19 -0.26 -1.81 -1.70 115.58 111.66 1a3x h ASN 320 Ca 0.13 0.01 0.25 0.00 -0.56 0.00 0.00 56.30 56.13 1a3x h ASN 320 Cb 0.16 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 1a3x h ASN 320 CO -0.01 0.06 0.64 0.00 -1.06 0.00 0.00 177.43 177.05 1a3x h ALA 321 N 1.07 2.74 0.12 -0.83 0.00 -1.36 0.23 119.26 121.24 1a3x h ALA 321 Ca 0.05 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1a3x h ALA 321 Cb 0.02 0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1a3x h ALA 321 CO -0.05 -1.01 -1.23 0.82 0.00 0.00 0.00 179.25 177.78 1a3x h ILE 322 N 0.06 1.32 -0.39 0.00 2.04 -1.31 -1.30 117.51 117.92 1a3x h ILE 322 Ca 0.43 -2.54 -0.07 0.00 1.00 0.00 0.00 64.86 63.68 1a3x h ILE 322 Cb 1.62 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.40 1a3x h ILE 322 CO -0.04 0.77 -0.06 -0.07 0.00 0.00 0.00 178.15 178.75 1a3x h LEU 323 N 0.25 0.64 0.00 1.44 -0.00 0.10 -1.75 115.31 115.98 1a3x h LEU 323 Ca -0.18 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1a3x h LEU 323 Cb 1.91 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 1a3x h LEU 323 CO 0.23 0.75 0.00 0.47 -0.00 0.00 0.00 178.44 179.89 1a3x n ASP 324 N -4.21 0.00 0.00 -0.43 8.00 0.37 -4.87 116.55 115.42 1a3x n ASP 324 Ca 0.02 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1a3x n ASP 324 Cb 0.31 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1a3x n ASP 324 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3x n GLY 325 N 0.30 1.06 3.76 0.44 0.00 -0.66 -4.26 105.19 105.84 1a3x n GLY 325 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1a3x n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3x s ALA 326 N -2.00 3.60 -0.20 4.61 0.00 -0.50 -4.84 121.76 122.43 1a3x s ALA 326 Ca 0.00 1.45 0.21 0.00 0.00 0.00 0.00 51.96 53.62 1a3x s ALA 326 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1a3x s ALA 326 CO 0.00 -0.88 0.99 -0.25 0.00 0.00 0.00 175.76 175.62 1a3x n ASP 327 N 1.22 0.85 -3.88 0.00 9.92 -0.19 -4.76 116.55 119.71 1a3x n ASP 327 Ca 0.03 0.34 -0.10 0.00 -0.53 0.00 0.00 54.79 54.53 1a3x n ASP 327 Cb 0.40 0.37 -0.09 0.00 -0.64 0.00 0.00 41.12 41.16 1a3x n ASP 327 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a3x s VAL 329 N -2.63 2.34 0.43 0.00 -7.23 -0.76 -2.18 120.40 110.37 1a3x s VAL 329 Ca -0.05 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1a3x s VAL 329 Cb -0.01 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1a3x s VAL 329 CO -0.04 0.58 0.34 -0.32 -0.31 0.00 0.00 175.10 175.34 1a3x s MET 330 N -0.41 2.43 -0.21 4.82 1.75 -0.67 0.13 119.30 127.15 1a3x s MET 330 Ca 0.04 -1.65 -0.04 0.00 -1.25 0.00 0.00 55.69 52.79 1a3x s MET 330 Cb -0.12 -2.26 0.11 0.00 2.84 0.00 0.00 34.83 35.40 1a3x s MET 330 CO 0.02 -0.22 0.33 -0.51 -0.65 0.00 0.00 175.02 173.99 1a3x s LEU 331 N -4.09 -0.48 0.00 4.11 1.43 0.09 -4.65 118.68 115.08 1a3x s LEU 331 Ca 0.45 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1a3x s LEU 331 Cb -0.01 0.94 0.00 0.00 0.03 0.00 0.00 46.19 47.15 1a3x s LEU 331 CO 0.26 -0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.35 1a3x n SER 332 N 5.36 0.00 0.00 2.29 7.64 -1.26 -0.24 113.62 127.41 1a3x n SER 332 Ca -0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.95 1a3x n SER 332 Cb 0.50 0.00 0.73 0.00 -1.01 0.00 0.00 64.21 64.43 1a3x n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3x n GLY 333 N 3.60 -0.83 0.04 0.23 0.00 -1.26 -1.75 105.19 105.22 1a3x n GLY 333 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1a3x n GLY 333 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a3x n GLU 334 N -1.04 0.44 0.00 1.61 4.71 -1.26 -1.36 120.64 123.73 1a3x n GLU 334 Ca 0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1a3x n GLU 334 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1a3x n GLU 334 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1a3x n THR 335 N -1.21 0.00 1.29 2.62 -1.04 -1.06 -3.84 114.28 111.04 1a3x n THR 335 Ca 0.13 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.27 1a3x n THR 335 Cb 0.27 -0.45 0.35 0.00 -1.82 0.00 0.00 70.33 68.69 1a3x n THR 335 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a3x n ALA 336 N -1.54 2.78 -2.00 2.41 0.00 -0.72 -3.65 120.51 117.79 1a3x n ALA 336 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a3x n ALA 336 Cb 0.27 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1a3x n ALA 336 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a3x n LYS 337 N 0.18 0.00 -3.71 0.00 4.81 -1.07 -3.77 118.16 114.60 1a3x n LYS 337 Ca 0.15 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.38 1a3x n LYS 337 Cb 0.41 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.45 1a3x n LYS 337 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1a3x s GLY 338 N 0.00 1.35 0.17 3.14 0.00 -0.46 -4.96 107.32 106.56 1a3x s GLY 338 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 44.72 43.60 1a3x s GLY 338 CO 0.00 -1.22 1.26 3.43 0.00 0.00 0.00 173.10 176.57 1a3x h ASN 339 N 1.00 0.00 -2.18 1.64 2.35 -1.58 -3.39 115.58 113.42 1a3x h ASN 339 Ca -0.50 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.67 1a3x h ASN 339 Cb 1.24 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.19 1a3x h ASN 339 CO 0.59 0.73 -0.74 -1.22 -1.65 0.00 0.00 177.43 175.13 1a3x n TYR 340 N -3.22 2.94 0.11 1.19 4.01 -1.25 -4.89 117.16 116.05 1a3x n TYR 340 Ca -0.01 -3.99 -0.03 0.00 -0.16 0.00 0.00 57.90 53.71 1a3x n TYR 340 Cb 0.84 -0.49 0.14 0.00 -0.31 0.00 0.00 39.34 39.52 1a3x n TYR 340 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a3x h PRO 341 N 3.58 0.09 -0.49 -0.72 0.13 -1.77 -2.65 132.00 130.18 1a3x h PRO 341 Ca 0.15 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1a3x h PRO 341 Cb 0.66 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1a3x h PRO 341 CO 0.75 0.69 -0.03 -0.84 -0.23 0.00 0.00 178.00 178.34 1a3x h ILE 342 N 0.07 1.27 0.00 -3.56 -2.65 -1.90 -2.67 117.51 108.06 1a3x h ILE 342 Ca -0.01 -1.13 -0.09 0.00 1.03 0.00 0.00 64.86 64.67 1a3x h ILE 342 Cb 1.12 1.02 -0.01 0.00 -2.05 0.00 0.00 36.82 36.90 1a3x h ILE 342 CO 0.09 0.39 -0.42 0.78 0.03 0.00 0.00 178.15 179.03 1a3x h ASN 343 N 0.74 0.00 0.64 2.16 -0.26 -1.92 -2.02 115.58 114.92 1a3x h ASN 343 Ca 0.13 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1a3x h ASN 343 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1a3x h ASN 343 CO 0.03 0.42 -0.36 0.00 -1.06 0.00 0.00 177.43 176.46 1a3x h ALA 344 N 1.58 -1.21 -0.87 -0.83 0.00 -1.13 0.36 119.26 117.16 1a3x h ALA 344 Ca -0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1a3x h ALA 344 Cb 0.76 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1a3x h ALA 344 CO 0.05 -1.16 0.57 0.28 0.00 0.00 0.00 179.25 178.99 1a3x h VAL 345 N -0.93 1.04 0.00 0.00 2.07 -1.53 -0.41 116.25 116.49 1a3x h VAL 345 Ca -0.09 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1a3x h VAL 345 Cb 0.73 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1a3x h VAL 345 CO 0.11 0.17 -0.08 0.74 0.02 0.00 0.00 177.57 178.53 1a3x h THR 346 N 0.95 0.31 0.07 2.57 2.02 -0.87 -0.18 112.91 117.79 1a3x h THR 346 Ca 0.38 -0.53 -0.37 0.00 0.77 0.00 0.00 66.41 66.65 1a3x h THR 346 Cb 0.25 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1a3x h THR 346 CO -0.14 0.08 -2.19 0.41 0.37 0.00 0.00 175.52 174.04 1a3x n THR 347 N -3.35 1.66 0.22 3.16 -1.04 0.12 -3.25 114.28 111.81 1a3x n THR 347 Ca -0.01 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.05 61.22 1a3x n THR 347 Cb 0.26 -1.59 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 1a3x n THR 347 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1a3x h MET 348 N 0.04 -0.79 -0.47 -2.82 -1.53 -1.01 -1.82 114.93 106.53 1a3x h MET 348 Ca -0.49 0.05 0.05 0.00 -3.44 0.00 0.00 59.70 55.87 1a3x h MET 348 Cb 1.98 0.18 -0.07 0.00 -0.55 0.00 0.00 31.60 33.15 1a3x h MET 348 CO 0.02 -0.53 -0.37 0.00 0.14 0.00 0.00 176.91 176.18 1a3x h ALA 349 N -0.99 -0.46 -1.01 0.39 0.00 -1.21 -0.06 119.26 115.92 1a3x h ALA 349 Ca -0.05 0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1a3x h ALA 349 Cb 0.72 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 1a3x h ALA 349 CO -0.08 -0.68 0.62 0.93 0.00 0.00 0.00 179.25 180.04 1a3x h GLU 350 N -0.11 0.56 -0.13 0.00 5.08 -1.52 -0.24 114.58 118.22 1a3x h GLU 350 Ca 0.08 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1a3x h GLU 350 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1a3x h GLU 350 CO -0.50 0.37 -0.63 1.15 -1.00 0.00 0.00 179.01 178.40 1a3x h THR 351 N 0.57 1.35 -0.69 1.13 2.02 -0.18 -3.21 112.91 113.90 1a3x h THR 351 Ca 0.59 -1.95 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1a3x h THR 351 Cb 1.19 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1a3x h THR 351 CO -0.36 0.59 0.40 0.00 0.37 0.00 0.00 175.52 176.52 1a3x h ALA 352 N 0.98 1.41 -0.24 6.16 0.00 0.50 0.15 119.26 128.22 1a3x h ALA 352 Ca -0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1a3x h ALA 352 Cb 1.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1a3x h ALA 352 CO 0.11 0.50 -0.34 0.28 0.00 0.00 0.00 179.25 179.80 1a3x h VAL 353 N 0.95 1.29 -0.00 0.00 2.07 -1.51 -1.92 116.25 117.12 1a3x h VAL 353 Ca 0.25 -1.45 -0.18 0.00 0.82 0.00 0.00 66.70 66.14 1a3x h VAL 353 Cb -0.02 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1a3x h VAL 353 CO -0.04 0.46 -0.81 0.40 0.02 0.00 0.00 177.57 177.59 1a3x h ILE 354 N 0.44 1.54 0.00 4.57 2.04 -1.48 -3.07 117.51 121.55 1a3x h ILE 354 Ca 0.05 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.26 1a3x h ILE 354 Cb 0.80 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1a3x h ILE 354 CO 0.07 0.76 0.00 0.00 0.00 0.00 0.00 178.15 178.98 1a3x n ALA 355 N -2.42 2.11 0.49 1.87 0.00 0.00 -2.72 120.51 119.85 1a3x n ALA 355 Ca -0.02 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1a3x n ALA 355 Cb 0.77 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1a3x n ALA 355 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a3x n GLU 356 N -1.39 2.99 -0.42 0.00 1.02 -0.76 -4.22 120.64 117.85 1a3x n GLU 356 Ca 0.08 -0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1a3x n GLU 356 Cb 0.23 -1.04 0.28 0.00 -0.02 0.00 0.00 31.44 30.88 1a3x n GLU 356 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1a3x n GLN 357 N -0.88 2.89 -0.00 3.49 6.02 -1.10 -3.77 117.38 124.02 1a3x n GLN 357 Ca 0.03 -2.22 0.01 0.00 -0.01 0.00 0.00 57.00 54.80 1a3x n GLN 357 Cb 0.19 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 1a3x n GLN 357 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a3x n ALA 358 N 0.99 2.11 -1.32 -1.58 0.00 -1.24 -4.95 120.51 114.52 1a3x n ALA 358 Ca 0.20 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1a3x n ALA 358 Cb 0.65 -0.05 0.10 0.00 0.00 0.00 0.00 19.45 20.15 1a3x n ALA 358 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a3x s ILE 359 N -1.72 2.25 -0.99 0.00 1.01 -1.25 -4.95 121.20 115.55 1a3x s ILE 359 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1a3x s ILE 359 Cb 0.01 -2.67 0.26 0.00 0.01 0.00 0.00 42.46 40.07 1a3x s ILE 359 CO 0.06 -0.07 1.06 0.00 0.00 0.00 0.00 174.94 175.99 1a3x n ALA 360 N -2.83 4.30 -0.16 9.38 0.00 -1.26 -4.94 120.51 125.00 1a3x n ALA 360 Ca 0.13 -4.69 -0.02 0.00 0.00 0.00 0.00 53.44 48.86 1a3x n ALA 360 Cb 0.50 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 17.97 1a3x n ALA 360 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1a3x h TYR 361 N 5.90 -0.15 0.44 0.00 0.05 -1.92 0.10 116.97 121.39 1a3x h TYR 361 Ca 0.18 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 1a3x h TYR 361 Cb 0.77 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1a3x h TYR 361 CO 0.80 -0.17 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.46 1a3x h LEU 362 N 0.06 -0.50 -1.34 3.88 -0.00 -1.94 -1.72 115.31 113.74 1a3x h LEU 362 Ca 0.25 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.19 1a3x h LEU 362 Cb 0.39 0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.14 1a3x h LEU 362 CO -0.48 -0.33 0.47 1.55 -0.00 0.00 0.00 178.44 179.65 1a3x h PRO 363 N -0.66 0.83 -0.37 1.13 0.13 -1.99 -1.27 132.00 129.80 1a3x h PRO 363 Ca -0.06 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1a3x h PRO 363 Cb 0.46 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1a3x h PRO 363 CO 0.10 0.55 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.48 1a3x h ASN 364 N 0.85 0.57 -0.15 1.44 2.35 -0.83 -2.14 115.58 117.67 1a3x h ASN 364 Ca 0.29 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1a3x h ASN 364 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1a3x h ASN 364 CO -0.08 0.66 0.05 0.22 -1.65 0.00 0.00 177.43 176.63 1a3x h TYR 365 N 0.56 0.24 0.72 1.19 3.20 -0.29 -2.56 116.97 120.04 1a3x h TYR 365 Ca 0.11 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1a3x h TYR 365 Cb 0.41 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1a3x h TYR 365 CO 0.02 0.35 -0.47 -0.44 -1.64 0.00 0.00 178.16 175.98 1a3x h ASP 366 N 0.06 -1.21 -0.97 -2.11 3.32 -1.16 -2.58 116.42 111.77 1a3x h ASP 366 Ca 0.05 0.07 0.32 0.00 0.02 0.00 0.00 57.03 57.49 1a3x h ASP 366 Cb 0.22 0.36 -0.16 0.00 0.22 0.00 0.00 39.33 39.97 1a3x h ASP 366 CO -0.00 -0.71 0.43 -0.78 -1.72 0.00 0.00 179.24 176.46 1a3x h ASP 367 N -1.13 0.24 -0.03 6.45 3.58 -1.41 0.37 116.42 124.49 1a3x h ASP 367 Ca -0.10 0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1a3x h ASP 367 Cb 0.91 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1a3x h ASP 367 CO 0.08 -0.24 -0.24 -0.03 -2.88 0.00 0.00 179.24 175.92 1a3x h MET 368 N 0.18 0.44 0.00 0.28 4.05 -1.09 -2.92 114.93 115.87 1a3x h MET 368 Ca 0.71 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 1a3x h MET 368 Cb 1.65 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.42 1a3x h MET 368 CO -0.70 0.66 -0.07 0.07 0.23 0.00 0.00 176.91 177.09 1a3x h ARG 369 N 0.39 0.00 -0.93 0.39 0.11 0.07 -3.21 114.38 111.21 1a3x h ARG 369 Ca 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 1a3x h ARG 369 Cb 0.64 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 1a3x h ARG 369 CO 0.05 0.07 0.01 0.09 0.10 0.00 0.00 179.97 180.29 1a3x n ASN 370 N -3.12 1.97 -3.86 0.08 5.03 -0.77 -4.05 115.26 110.55 1a3x n ASN 370 Ca 0.04 -2.18 -0.30 0.00 0.87 0.00 0.00 54.58 53.00 1a3x n ASN 370 Cb 0.55 -0.54 -0.15 0.00 -1.02 0.00 0.00 39.78 38.63 1a3x n ASN 370 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a3x n THR 372 N 4.60 -0.82 -2.57 0.00 -1.04 -1.26 -4.98 114.28 108.21 1a3x n THR 372 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1a3x n THR 372 Cb 0.42 -2.03 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 1a3x n THR 372 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1a3x s PRO 373 N -4.96 3.47 0.19 -2.82 0.04 -1.26 -4.37 135.00 125.28 1a3x s PRO 373 Ca 0.12 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1a3x s PRO 373 Cb -0.05 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1a3x s PRO 373 CO 0.14 -1.75 0.00 1.17 0.04 0.00 0.00 177.00 176.60 1a3x n LYS 374 N 8.58 0.00 0.00 4.56 4.81 -1.26 -4.90 118.16 129.95 1a3x n LYS 374 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1a3x n LYS 374 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1a3x n LYS 374 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1a3x n PRO 375 N -2.82 0.00 -1.67 1.64 -0.04 -1.26 -5.01 135.00 125.84 1a3x n PRO 375 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 1a3x n PRO 375 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1a3x n PRO 375 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1a3x n THR 376 N -1.06 0.28 -1.97 0.52 -1.04 -1.26 -4.78 114.28 104.96 1a3x n THR 376 Ca 0.00 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 1a3x n THR 376 Cb 0.00 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 1a3x n THR 376 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a3x s SER 377 N 2.54 6.45 0.37 8.00 1.04 -1.26 -4.67 113.70 126.16 1a3x s SER 377 Ca 0.89 2.82 0.17 0.00 0.48 0.00 0.00 55.95 60.31 1a3x s SER 377 Cb -0.80 -2.65 1.13 0.00 0.10 0.00 0.00 66.02 63.80 1a3x s SER 377 CO 0.50 -0.77 1.68 0.74 0.98 0.00 0.00 173.24 176.36 1a3x h THR 378 N 2.82 0.33 -0.00 2.02 2.02 -1.99 1.11 112.91 119.21 1a3x h THR 378 Ca -0.50 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.47 1a3x h THR 378 Cb 1.24 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1a3x h THR 378 CO 0.64 0.06 -0.49 0.74 0.37 0.00 0.00 175.52 176.84 1a3x h THR 379 N 0.32 1.35 0.00 3.16 2.02 -1.98 -1.00 112.91 116.78 1a3x h THR 379 Ca 0.72 -1.68 -0.22 0.00 0.77 0.00 0.00 66.41 66.00 1a3x h THR 379 Cb 1.76 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 70.04 1a3x h THR 379 CO -0.51 0.48 -1.08 -0.08 0.37 0.00 0.00 175.52 174.70 1a3x h GLU 380 N 0.01 0.00 -0.33 6.66 4.81 0.72 -0.82 114.58 125.63 1a3x h GLU 380 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1a3x h GLU 380 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1a3x h GLU 380 CO 0.06 0.95 -0.44 1.15 -0.73 0.00 0.00 179.01 180.00 1a3x h THR 381 N 0.00 1.28 -0.05 0.32 2.02 -0.18 -0.46 112.91 115.83 1a3x h THR 381 Ca -0.04 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.40 1a3x h THR 381 Cb 1.80 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1a3x h THR 381 CO 0.13 0.53 -0.49 0.58 0.37 0.00 0.00 175.52 176.63 1a3x h VAL 382 N 0.68 1.35 0.46 3.16 2.07 -1.23 -0.27 116.25 122.48 1a3x h VAL 382 Ca 0.04 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1a3x h VAL 382 Cb 1.04 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1a3x h VAL 382 CO 0.10 0.50 -0.22 0.00 0.02 0.00 0.00 177.57 177.97 1a3x h ALA 383 N 1.39 -1.08 -0.41 1.67 0.00 -0.82 -0.39 119.26 119.63 1a3x h ALA 383 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1a3x h ALA 383 Cb 0.91 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1a3x h ALA 383 CO 0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 179.25 178.17 1a3x h ALA 384 N -1.67 0.24 -0.41 0.00 0.00 -1.11 -2.25 119.26 114.06 1a3x h ALA 384 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1a3x h ALA 384 Cb 0.47 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1a3x h ALA 384 CO 0.10 -0.47 -0.03 0.77 0.00 0.00 0.00 179.25 179.63 1a3x h SER 385 N -0.03 -0.23 -0.33 0.00 0.02 -1.01 -1.78 113.55 110.20 1a3x h SER 385 Ca 0.20 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1a3x h SER 385 Cb 0.33 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1a3x h SER 385 CO -0.44 -0.07 0.14 0.00 -1.14 0.00 0.00 176.83 175.32 1a3x h ALA 386 N 1.37 0.40 -0.63 3.77 0.00 -0.51 -1.66 119.26 122.00 1a3x h ALA 386 Ca 0.20 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1a3x h ALA 386 Cb 0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 1a3x h ALA 386 CO -0.36 -0.25 0.15 0.28 0.00 0.00 0.00 179.25 179.07 1a3x h VAL 387 N 0.30 0.64 -0.86 0.00 2.07 -0.85 0.10 116.25 117.64 1a3x h VAL 387 Ca 0.15 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1a3x h VAL 387 Cb 0.09 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1a3x h VAL 387 CO -0.13 0.05 0.55 0.00 0.02 0.00 0.00 177.57 178.07 1a3x h ALA 388 N 1.49 1.15 -0.36 1.67 0.00 -0.60 -2.56 119.26 120.06 1a3x h ALA 388 Ca 0.33 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1a3x h ALA 388 Cb 0.50 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1a3x h ALA 388 CO -0.41 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 178.95 1a3x h ALA 389 N 1.37 -0.11 -0.28 0.00 0.00 0.08 -0.66 119.26 119.67 1a3x h ALA 389 Ca 0.35 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1a3x h ALA 389 Cb 0.04 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1a3x h ALA 389 CO -0.13 -0.68 0.02 -0.24 0.00 0.00 0.00 179.25 178.23 1a3x h VAL 390 N -0.23 1.16 -0.06 0.00 3.04 -1.17 -1.73 116.25 117.25 1a3x h VAL 390 Ca 0.17 -0.60 -0.05 0.00 -1.01 0.00 0.00 66.70 65.20 1a3x h VAL 390 Cb 0.50 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1a3x h VAL 390 CO -0.49 0.21 -0.21 -0.26 -1.01 0.00 0.00 177.57 175.81 1a3x h PHE 391 N 0.40 0.11 0.00 3.17 0.04 -0.77 0.39 116.94 120.28 1a3x h PHE 391 Ca 0.09 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1a3x h PHE 391 Cb 0.24 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1a3x h PHE 391 CO 0.01 0.31 0.00 0.39 -0.60 0.00 0.00 178.31 178.42 1a3x n GLU 392 N -4.25 0.00 0.00 1.51 -0.58 -0.71 -4.17 120.64 112.44 1a3x n GLU 392 Ca -0.02 0.46 0.06 0.00 -0.42 0.00 0.00 57.16 57.24 1a3x n GLU 392 Cb 0.29 -1.00 0.35 0.00 -0.57 0.00 0.00 31.44 30.51 1a3x n GLU 392 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a3x n GLN 393 N -1.87 0.35 -3.48 3.49 6.02 -0.72 -4.84 117.38 116.33 1a3x n GLN 393 Ca 0.00 0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 1a3x n GLN 393 Cb 0.00 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.84 1a3x n GLN 393 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a3x n LYS 394 N -1.04 -7.13 -1.72 -1.09 5.02 0.12 -4.93 118.16 107.40 1a3x n LYS 394 Ca 0.09 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.81 1a3x n LYS 394 Cb 0.05 -5.75 0.07 0.00 -0.02 0.00 0.00 35.03 29.38 1a3x n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a3x n ALA 395 N -4.53 1.10 -0.03 7.82 0.00 -0.18 -4.93 120.51 119.76 1a3x n ALA 395 Ca -0.11 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1a3x n ALA 395 Cb 0.60 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 1a3x n ALA 395 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a3x n LYS 396 N -1.78 0.68 0.00 0.00 4.76 -0.79 -4.83 118.16 116.20 1a3x n LYS 396 Ca 0.15 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1a3x n LYS 396 Cb 0.48 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1a3x n LYS 396 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a3x n ALA 397 N -2.78 0.00 0.00 7.82 0.00 -1.26 -3.26 120.51 121.03 1a3x n ALA 397 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1a3x n ALA 397 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 1a3x n ALA 397 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1a3x n ILE 398 N 0.00 0.00 -1.70 0.00 3.06 -0.97 -4.23 119.36 115.52 1a3x n ILE 398 Ca 0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 1a3x n ILE 398 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1a3x n ILE 398 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1a3x n ILE 399 N 0.00 0.24 -3.96 9.51 5.41 -0.90 -3.69 119.36 125.97 1a3x n ILE 399 Ca 0.00 -0.04 -0.18 0.00 1.00 0.00 0.00 62.75 63.52 1a3x n ILE 399 Cb 0.00 -2.04 -0.16 0.00 -0.71 0.00 0.00 39.64 36.73 1a3x n ILE 399 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1a3x s VAL 400 N 2.21 0.26 0.07 1.39 0.11 0.82 -2.33 120.40 122.93 1a3x s VAL 400 Ca 0.80 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.72 1a3x s VAL 400 Cb -0.51 -0.35 -0.07 0.00 -1.53 0.00 0.00 36.38 33.93 1a3x s VAL 400 CO 0.36 0.17 0.56 -0.76 -3.33 0.00 0.00 175.10 172.11 1a3x s LEU 401 N 1.11 4.52 0.37 2.54 1.02 -1.15 -1.86 118.68 125.22 1a3x s LEU 401 Ca -0.09 1.25 -0.16 0.00 0.02 0.00 0.00 54.13 55.15 1a3x s LEU 401 Cb -0.14 -2.89 0.06 0.00 0.02 0.00 0.00 46.19 43.24 1a3x s LEU 401 CO -0.02 0.27 0.82 -0.55 0.02 0.00 0.00 176.35 176.90 1a3x s SER 402 N -1.12 0.02 0.00 2.29 0.15 -0.94 -4.82 113.70 109.28 1a3x s SER 402 Ca 0.29 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1a3x s SER 402 Cb -0.19 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1a3x s SER 402 CO 0.19 -1.62 0.00 0.41 1.20 0.00 0.00 173.24 173.41 1a3x n THR 403 N -0.56 0.00 0.34 6.45 -1.04 -1.26 -4.44 114.28 113.78 1a3x n THR 403 Ca -0.08 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.05 1a3x n THR 403 Cb 0.60 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.15 1a3x n THR 403 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a3x n SER 404 N -0.32 0.69 -0.70 8.00 7.64 -1.26 -4.64 113.62 123.03 1a3x n SER 404 Ca 0.00 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 1a3x n SER 404 Cb 0.00 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1a3x n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3x n GLY 405 N 1.28 0.95 0.05 0.23 0.00 -1.26 -4.91 105.19 101.52 1a3x n GLY 405 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 1a3x n GLY 405 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a3x h THR 406 N 0.00 0.00 -0.83 2.61 2.02 -1.98 -3.06 112.91 111.67 1a3x h THR 406 Ca -0.18 -0.87 0.13 0.00 0.77 0.00 0.00 66.41 66.27 1a3x h THR 406 Cb 0.62 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 1a3x h THR 406 CO 0.26 0.00 0.43 0.74 0.37 0.00 0.00 175.52 177.32 1a3x h THR 407 N -0.87 0.76 0.00 3.16 2.02 -1.91 -1.18 112.91 114.89 1a3x h THR 407 Ca 0.00 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1a3x h THR 407 Cb 0.07 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1a3x h THR 407 CO 0.00 0.12 -0.33 1.55 0.37 0.00 0.00 175.52 177.23 1a3x h PRO 408 N 0.64 0.00 -0.14 6.66 0.13 -1.92 -2.97 132.00 134.40 1a3x h PRO 408 Ca 0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.42 1a3x h PRO 408 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.72 1a3x h PRO 408 CO -0.34 0.33 -0.51 -0.09 -0.23 0.00 0.00 178.00 177.16 1a3x h ARG 409 N 0.00 0.58 -0.43 0.86 2.43 -1.19 -2.46 114.38 114.18 1a3x h ARG 409 Ca -0.00 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1a3x h ARG 409 Cb 1.09 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1a3x h ARG 409 CO 0.04 1.07 0.21 -0.07 -1.51 0.00 0.00 179.97 179.71 1a3x h LEU 410 N 0.22 0.56 -0.71 3.80 4.07 -1.27 -0.29 115.31 121.69 1a3x h LEU 410 Ca -0.03 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.84 1a3x h LEU 410 Cb 1.14 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.69 1a3x h LEU 410 CO 0.11 0.52 0.45 0.58 -1.08 0.00 0.00 178.44 179.01 1a3x h VAL 411 N 0.55 1.10 -0.39 1.22 2.07 -1.58 -0.55 116.25 118.68 1a3x h VAL 411 Ca 0.15 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1a3x h VAL 411 Cb 0.11 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 29.95 1a3x h VAL 411 CO -0.02 0.16 -0.14 -1.28 0.02 0.00 0.00 177.57 176.31 1a3x h SER 412 N 0.88 -0.49 -1.06 0.57 0.87 -0.90 0.44 113.55 113.86 1a3x h SER 412 Ca 0.28 0.13 0.28 0.00 -1.23 0.00 0.00 61.79 61.26 1a3x h SER 412 Cb 0.01 0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 62.17 1a3x h SER 412 CO -0.11 -0.17 0.68 0.50 -0.53 0.00 0.00 176.83 177.20 1a3x h LYS 413 N -0.05 0.35 -0.74 2.24 3.64 0.56 1.17 116.57 123.74 1a3x h LYS 413 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1a3x h LYS 413 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a3x h LYS 413 CO -0.44 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 177.64 1a3x n TYR 414 N -4.63 1.13 -1.62 1.91 4.01 0.15 -4.98 117.16 113.13 1a3x n TYR 414 Ca 0.26 -0.40 -0.03 0.00 -0.16 0.00 0.00 57.90 57.57 1a3x n TYR 414 Cb 0.92 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1a3x n TYR 414 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1a3x n ARG 415 N 0.37 -0.17 -1.28 -0.72 3.00 0.40 -4.86 116.66 113.41 1a3x n ARG 415 Ca 0.15 0.12 -0.31 0.00 -0.00 0.00 0.00 57.85 57.81 1a3x n ARG 415 Cb 0.76 -0.19 0.10 0.00 0.00 0.00 0.00 32.46 33.12 1a3x n ARG 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1a3x s PRO 416 N -0.80 2.04 -0.72 -0.14 0.04 -1.26 -4.92 135.00 129.24 1a3x s PRO 416 Ca 0.03 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1a3x s PRO 416 Cb -0.00 -1.88 0.39 0.00 0.04 0.00 0.00 34.50 33.05 1a3x s PRO 416 CO 0.08 -1.76 1.89 0.27 0.04 0.00 0.00 177.00 177.53 1a3x n ASN 417 N -3.59 7.16 -3.52 6.66 2.04 -1.26 -4.90 115.26 117.86 1a3x n ASN 417 Ca 0.08 -3.81 -0.15 0.00 -0.44 0.00 0.00 54.58 50.26 1a3x n ASN 417 Cb 0.54 -0.94 -0.05 0.00 -2.53 0.00 0.00 39.78 36.79 1a3x n ASN 417 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a3x n PRO 419 N 0.69 1.87 -3.39 0.00 -0.02 -1.20 -4.85 135.00 128.09 1a3x n PRO 419 Ca -0.17 0.67 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 1a3x n PRO 419 Cb 0.58 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1a3x n PRO 419 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a3x s ILE 420 N 0.08 5.43 -0.49 4.25 1.01 -0.98 -2.29 121.20 128.22 1a3x s ILE 420 Ca 0.71 -2.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.26 1a3x s ILE 420 Cb -0.70 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.43 1a3x s ILE 420 CO 0.48 -1.05 1.51 -0.63 0.00 0.00 0.00 174.94 175.25 1a3x s ILE 421 N -0.27 3.74 -0.34 2.92 -1.09 -1.24 -1.81 121.20 123.11 1a3x s ILE 421 Ca 0.21 0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 59.17 1a3x s ILE 421 Cb -0.11 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1a3x s ILE 421 CO -0.08 -0.90 0.33 -0.22 -1.23 0.00 0.00 174.94 172.83 1a3x s LEU 422 N 6.27 4.49 -0.15 2.97 2.96 -1.13 -0.13 118.68 133.95 1a3x s LEU 422 Ca 0.60 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 54.06 1a3x s LEU 422 Cb -0.13 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 1a3x s LEU 422 CO 0.28 -0.32 0.33 -0.69 -1.32 0.00 0.00 176.35 174.63 1a3x s VAL 423 N 1.93 5.29 0.13 1.68 1.01 -0.78 -2.20 120.40 127.46 1a3x s VAL 423 Ca 0.10 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1a3x s VAL 423 Cb -0.17 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1a3x s VAL 423 CO 0.11 0.37 0.21 0.28 0.00 0.00 0.00 175.10 176.08 1a3x s THR 424 N 0.52 0.10 -0.05 3.92 -1.32 -0.93 -2.21 115.64 115.67 1a3x s THR 424 Ca 0.18 -1.41 0.10 0.00 -1.21 0.00 0.00 61.69 59.35 1a3x s THR 424 Cb -0.13 -1.70 -0.14 0.00 -1.51 0.00 0.00 72.50 69.02 1a3x s THR 424 CO 0.05 -0.46 0.14 0.54 -2.21 0.00 0.00 174.62 172.68 1a3x n ARG 425 N -0.14 1.26 -2.51 7.08 1.74 -1.23 0.19 116.66 123.04 1a3x n ARG 425 Ca -0.10 -0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 1a3x n ARG 425 Cb 0.63 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 1a3x n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a3x h PRO 427 N 7.81 0.44 -0.44 0.00 0.13 -1.97 -3.23 132.00 134.74 1a3x h PRO 427 Ca -0.26 -0.27 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1a3x h PRO 427 Cb 1.10 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1a3x h PRO 427 CO 0.95 0.87 0.22 -0.09 -0.23 0.00 0.00 178.00 179.72 1a3x h ARG 428 N 0.34 0.44 -0.30 0.86 2.43 -1.97 -2.54 114.38 113.64 1a3x h ARG 428 Ca 0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1a3x h ARG 428 Cb 1.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1a3x h ARG 428 CO 0.10 0.29 -0.08 0.00 -1.51 0.00 0.00 179.97 178.76 1a3x h ALA 429 N 1.23 1.30 0.00 2.80 0.00 -1.82 -1.89 119.26 120.87 1a3x h ALA 429 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a3x h ALA 429 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1a3x h ALA 429 CO -0.13 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.56 1a3x h ALA 430 N 1.45 1.02 0.04 0.00 0.00 -1.48 -1.27 119.26 119.02 1a3x h ALA 430 Ca 0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1a3x h ALA 430 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1a3x h ALA 430 CO 0.02 0.04 -1.41 0.00 0.00 0.00 0.00 179.25 177.90 1a3x h ARG 431 N 0.00 0.08 -0.01 0.00 3.08 -1.07 -3.37 114.38 113.10 1a3x h ARG 431 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1a3x h ARG 431 Cb 0.44 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1a3x h ARG 431 CO 0.00 1.07 0.00 1.97 -1.07 0.00 0.00 179.97 181.94 1a3x n PHE 432 N -4.18 0.01 1.53 3.04 1.16 -0.80 -3.46 117.46 114.76 1a3x n PHE 432 Ca -0.31 -0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.42 1a3x n PHE 432 Cb 0.78 0.00 0.76 0.00 -1.61 0.00 0.00 39.48 39.40 1a3x n PHE 432 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1a3x n SER 433 N -0.80 0.13 0.00 5.98 7.64 -0.49 -2.42 113.62 123.66 1a3x n SER 433 Ca 0.20 -0.42 0.08 0.00 1.01 0.00 0.00 58.87 59.75 1a3x n SER 433 Cb 0.12 -0.18 0.50 0.00 -1.01 0.00 0.00 64.21 63.65 1a3x n SER 433 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a3x n HIS 434 N -1.14 0.00 0.10 1.43 8.25 -1.22 -2.65 115.22 119.98 1a3x n HIS 434 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1a3x n HIS 434 Cb 0.23 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.21 1a3x n HIS 434 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a3x h LEU 435 N 0.00 0.71 -9.07 2.41 3.38 -1.76 -3.41 115.31 107.56 1a3x h LEU 435 Ca 0.00 -0.68 -0.60 0.00 0.09 0.00 0.00 57.88 56.69 1a3x h LEU 435 Cb 0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 1a3x h LEU 435 CO 0.00 1.50 0.22 -0.31 0.09 0.00 0.00 178.44 179.94 1a3x s TYR 436 N -2.89 3.34 0.17 1.13 2.02 -1.09 -4.60 117.35 115.44 1a3x s TYR 436 Ca -0.07 0.96 -0.33 0.00 -0.37 0.00 0.00 57.07 57.25 1a3x s TYR 436 Cb 0.06 -2.88 -0.14 0.00 -0.40 0.00 0.00 41.96 38.61 1a3x s TYR 436 CO 0.91 -0.27 1.59 -2.13 -1.57 0.00 0.00 175.55 174.08 1a3x n ARG 437 N 5.45 2.23 0.00 -0.62 0.63 -1.26 -2.70 116.66 120.39 1a3x n ARG 437 Ca 0.01 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 1a3x n ARG 437 Cb 0.49 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.82 1a3x n ARG 437 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a3x n GLY 438 N 3.38 1.31 3.68 5.14 0.00 0.11 -4.75 105.19 114.06 1a3x n GLY 438 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1a3x n GLY 438 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3x s VAL 439 N -2.38 4.84 -0.72 1.61 1.01 -1.10 -2.33 120.40 121.33 1a3x s VAL 439 Ca 0.00 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 1a3x s VAL 439 Cb 0.00 -4.22 0.18 0.00 0.00 0.00 0.00 36.38 32.34 1a3x s VAL 439 CO 0.00 0.02 0.56 -0.36 0.00 0.00 0.00 175.10 175.32 1a3x s PHE 440 N 2.05 3.55 0.63 5.22 0.40 -0.75 -4.73 117.98 124.37 1a3x s PHE 440 Ca 0.43 -2.69 -0.15 0.00 -0.60 0.00 0.00 56.93 53.92 1a3x s PHE 440 Cb -0.17 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.04 1a3x s PHE 440 CO 0.15 -0.84 1.08 -2.14 0.70 0.00 0.00 175.22 174.17 1a3x s PRO 441 N -0.33 3.03 -0.16 0.24 0.02 -1.26 -2.85 135.00 133.69 1a3x s PRO 441 Ca 0.19 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.35 1a3x s PRO 441 Cb -0.16 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.41 1a3x s PRO 441 CO -0.06 -1.05 0.43 -0.06 -0.33 0.00 0.00 177.00 175.93 1a3x s PHE 442 N -2.43 -0.47 -0.21 6.54 0.08 -0.93 -4.87 117.98 115.69 1a3x s PHE 442 Ca 0.65 1.14 -0.09 0.00 0.12 0.00 0.00 56.93 58.74 1a3x s PHE 442 Cb -0.18 0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1a3x s PHE 442 CO 0.40 -0.23 0.12 0.54 -0.10 0.00 0.00 175.22 175.95 1a3x s VAL 443 N 0.19 5.24 -0.05 -0.44 0.11 -1.26 -2.19 120.40 122.00 1a3x s VAL 443 Ca -0.00 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1a3x s VAL 443 Cb -0.03 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1a3x s VAL 443 CO 0.01 0.42 -0.20 0.12 -3.33 0.00 0.00 175.10 172.12 1a3x s PHE 444 N 0.56 1.95 0.00 1.54 5.36 0.50 -4.94 117.98 122.95 1a3x s PHE 444 Ca 0.07 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 1a3x s PHE 444 Cb -0.12 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1a3x s PHE 444 CO 0.00 -0.18 0.00 -0.85 -1.46 0.00 0.00 175.22 172.73 1a3x n GLU 445 N 3.06 2.04 0.00 10.12 0.00 -1.26 -3.55 120.64 131.05 1a3x n GLU 445 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1a3x n GLU 445 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 1a3x n GLU 445 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a3x n LYS 446 N -0.04 0.00 0.00 3.44 5.02 -1.26 -5.11 118.16 120.21 1a3x n LYS 446 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a3x n LYS 446 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a3x n LYS 446 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a3x n GLU 447 N 0.00 0.00 -0.43 1.97 -0.58 -1.26 -5.23 120.64 115.11 1a3x n GLU 447 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1a3x n GLU 447 Cb 0.00 0.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.01 1a3x n GLU 447 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1a3x n THR 453 N 1.76 1.43 1.24 2.62 -1.04 -1.26 -5.17 114.28 113.85 1a3x n THR 453 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1a3x n THR 453 Cb 0.00 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1a3x n THR 453 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1a3x n ASP 454 N 0.12 0.75 -0.00 8.00 5.75 -1.26 -3.29 116.55 126.62 1a3x n ASP 454 Ca 0.16 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1a3x n ASP 454 Cb 0.77 -0.38 -0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1a3x n ASP 454 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1a3x n ASP 455 N -0.12 3.93 0.27 -1.12 5.75 -1.26 -4.70 116.55 119.30 1a3x n ASP 455 Ca 0.00 -0.10 0.14 0.00 -0.01 0.00 0.00 54.79 54.83 1a3x n ASP 455 Cb 0.19 1.02 0.77 0.00 -1.03 0.00 0.00 41.12 42.07 1a3x n ASP 455 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1a3x h VAL 456 N 0.00 0.00 -0.19 2.12 -1.51 -2.00 0.66 116.25 115.33 1a3x h VAL 456 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1a3x h VAL 456 Cb 0.03 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 1a3x h VAL 456 CO 0.00 0.00 0.01 -0.33 -1.23 0.00 0.00 177.57 176.02 1a3x h GLU 457 N 0.00 0.28 0.04 5.19 3.07 -1.84 0.88 114.58 122.19 1a3x h GLU 457 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1a3x h GLU 457 Cb 0.37 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1a3x h GLU 457 CO 0.00 0.30 -0.02 0.00 -1.40 0.00 0.00 179.01 177.89 1a3x h ALA 458 N 1.74 -0.05 -0.53 3.43 0.00 -1.22 -0.96 119.26 121.68 1a3x h ALA 458 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1a3x h ALA 458 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1a3x h ALA 458 CO 0.00 -0.32 0.35 0.00 0.00 0.00 0.00 179.25 179.29 1a3x h ARG 459 N -0.47 0.58 0.00 0.00 3.08 -1.49 0.34 114.38 116.41 1a3x h ARG 459 Ca -0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1a3x h ARG 459 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1a3x h ARG 459 CO 0.01 0.38 -0.36 0.82 -1.07 0.00 0.00 179.97 179.75 1a3x h ILE 460 N 0.59 0.87 0.00 2.04 2.04 -0.69 -1.65 117.51 120.72 1a3x h ILE 460 Ca 0.21 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1a3x h ILE 460 Cb 0.11 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1a3x h ILE 460 CO -0.06 0.35 -0.28 0.78 0.00 0.00 0.00 178.15 178.94 1a3x h ASN 461 N 0.00 0.00 0.42 1.72 -0.26 0.96 -2.05 115.58 116.37 1a3x h ASN 461 Ca -0.00 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1a3x h ASN 461 Cb 0.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1a3x h ASN 461 CO 0.05 0.03 -0.20 0.15 -1.06 0.00 0.00 177.43 176.39 1a3x h PHE 462 N 0.00 -0.52 -0.86 1.19 3.57 0.03 -2.19 116.94 118.16 1a3x h PHE 462 Ca 0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1a3x h PHE 462 Cb 0.83 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1a3x h PHE 462 CO 0.00 -0.32 0.56 0.78 -2.23 0.00 0.00 178.31 177.10 1a3x h GLY 463 N -1.15 1.19 0.68 2.40 0.00 -1.42 0.79 103.07 105.56 1a3x h GLY 463 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1a3x h GLY 463 CO 0.09 0.18 -0.06 -2.22 0.00 0.00 0.00 176.54 174.54 1a3x h ILE 464 N 0.81 1.04 -0.68 2.60 2.04 -1.42 0.84 117.51 122.74 1a3x h ILE 464 Ca 0.40 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1a3x h ILE 464 Cb 0.45 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1a3x h ILE 464 CO -0.17 0.16 0.13 -0.08 0.00 0.00 0.00 178.15 178.20 1a3x h GLU 465 N -0.49 1.11 0.00 2.37 4.81 -1.01 0.24 114.58 121.61 1a3x h GLU 465 Ca -0.02 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1a3x h GLU 465 Cb 0.39 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1a3x h GLU 465 CO 0.03 1.00 -0.20 0.87 -0.73 0.00 0.00 179.01 179.97 1a3x h LYS 466 N 1.04 0.00 -0.01 1.92 1.79 0.73 -1.40 116.57 120.64 1a3x h LYS 466 Ca 0.21 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.49 1a3x h LYS 466 Cb 0.41 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1a3x h LYS 466 CO 0.01 0.20 -0.75 0.00 -1.08 0.00 0.00 179.45 177.83 1a3x h ALA 467 N 1.80 0.11 -0.74 3.86 0.00 0.20 -3.26 119.26 121.23 1a3x h ALA 467 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1a3x h ALA 467 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1a3x h ALA 467 CO 0.03 0.48 0.48 0.87 0.00 0.00 0.00 179.25 181.11 1a3x h LYS 468 N 0.10 0.83 0.00 0.00 1.57 0.40 -0.62 116.57 118.84 1a3x h LYS 468 Ca -0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1a3x h LYS 468 Cb 1.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1a3x h LYS 468 CO 0.15 0.55 -0.19 0.93 -0.57 0.00 0.00 179.45 180.32 1a3x h GLU 469 N 0.86 0.00 -0.19 3.15 5.08 -1.34 0.50 114.58 122.64 1a3x h GLU 469 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1a3x h GLU 469 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a3x h GLU 469 CO -0.09 0.19 0.00 1.19 -1.00 0.00 0.00 179.01 179.30 1a3x n PHE 470 N -3.96 0.24 -2.11 4.33 3.01 -0.32 -4.92 117.46 113.72 1a3x n PHE 470 Ca -0.02 -0.12 -0.18 0.00 1.01 0.00 0.00 57.45 58.14 1a3x n PHE 470 Cb 0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 1a3x n PHE 470 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a3x n GLY 471 N 1.18 0.24 0.09 1.37 0.00 0.17 -4.89 105.19 103.35 1a3x n GLY 471 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1a3x n GLY 471 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a3x h ILE 472 N 0.00 1.11 -4.37 -0.61 2.04 -1.55 -3.46 117.51 110.67 1a3x h ILE 472 Ca -0.42 -2.71 -0.64 0.00 1.00 0.00 0.00 64.86 62.09 1a3x h ILE 472 Cb 1.28 2.51 -0.28 0.00 -0.74 0.00 0.00 36.82 39.59 1a3x h ILE 472 CO 0.52 0.63 -0.87 -0.76 0.00 0.00 0.00 178.15 177.68 1a3x s LEU 473 N -6.36 2.11 0.00 1.44 1.02 -1.26 -4.74 118.68 110.89 1a3x s LEU 473 Ca 0.00 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.73 1a3x s LEU 473 Cb 0.09 -1.16 0.18 0.00 0.02 0.00 0.00 46.19 45.31 1a3x s LEU 473 CO 0.80 0.25 1.12 0.29 0.02 0.00 0.00 176.35 178.82 1a3x n LYS 474 N 2.14 2.63 -0.94 1.70 4.01 -1.26 -4.62 118.16 121.81 1a3x n LYS 474 Ca -0.16 -1.76 0.00 0.00 -0.51 0.00 0.00 58.31 55.88 1a3x n LYS 474 Cb 0.52 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.88 1a3x n LYS 474 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1a3x n LYS 475 N 0.17 -1.69 -2.45 1.97 4.81 -1.26 -4.79 118.16 114.93 1a3x n LYS 475 Ca 0.07 1.52 -0.03 0.00 -0.87 0.00 0.00 58.31 58.99 1a3x n LYS 475 Cb 0.34 -1.29 0.01 0.00 0.02 0.00 0.00 35.03 34.11 1a3x n LYS 475 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a3x n GLY 476 N 0.51 0.56 0.00 3.14 0.00 0.35 -4.91 105.19 104.85 1a3x n GLY 476 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1a3x n GLY 476 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3x n ASP 477 N 1.04 0.00 0.00 1.61 9.92 -1.26 -4.84 116.55 123.02 1a3x n ASP 477 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1a3x n ASP 477 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1a3x n ASP 477 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1a3x n THR 478 N 0.00 0.00 -4.31 -3.53 5.66 -1.26 -4.73 114.28 106.10 1a3x n THR 478 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1a3x n THR 478 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1a3x n THR 478 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1a3x s TYR 479 N 0.00 1.49 -0.09 1.09 -0.85 -1.04 -1.89 117.35 116.07 1a3x s TYR 479 Ca 0.00 -0.94 0.03 0.00 -0.52 0.00 0.00 57.07 55.64 1a3x s TYR 479 Cb 0.00 -0.86 0.01 0.00 0.38 0.00 0.00 41.96 41.49 1a3x s TYR 479 CO 0.00 -0.07 -0.17 0.08 -1.52 0.00 0.00 175.55 173.87 1a3x s VAL 480 N -3.46 1.53 0.43 -3.49 1.01 -1.26 -3.31 120.40 111.85 1a3x s VAL 480 Ca 0.27 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1a3x s VAL 480 Cb 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1a3x s VAL 480 CO 0.08 0.44 0.51 -0.44 0.00 0.00 0.00 175.10 175.69 1a3x s SER 481 N 0.64 5.38 -0.17 3.32 0.01 -1.19 -2.12 113.70 119.56 1a3x s SER 481 Ca -0.14 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.41 1a3x s SER 481 Cb -0.16 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.57 1a3x s SER 481 CO 0.04 -0.76 0.44 -0.63 0.41 0.00 0.00 173.24 172.73 1a3x s ILE 482 N -2.42 -0.01 -0.34 1.44 1.01 -0.98 -1.51 121.20 118.38 1a3x s ILE 482 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1a3x s ILE 482 Cb -0.07 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1a3x s ILE 482 CO 0.31 0.02 0.00 0.00 0.00 0.00 0.00 174.94 175.27 1a3x n GLN 483 N 3.52 -2.99 -3.33 2.79 0.00 -1.26 -2.94 117.38 113.15 1a3x n GLN 483 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.44 1a3x n GLN 483 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.74 1a3x n GLN 483 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1a3x s GLY 484 N 0.00 2.57 -0.47 2.61 0.00 -1.26 -0.01 107.32 110.76 1a3x s GLY 484 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1a3x s GLY 484 CO 0.00 0.46 0.48 0.54 0.00 0.00 0.00 173.10 174.58 1a3x s ASN 493 N -0.72 6.18 0.00 1.64 4.22 -1.26 -5.08 114.94 119.92 1a3x s ASN 493 Ca 0.27 -1.07 0.00 0.00 -2.14 0.00 0.00 52.86 49.92 1a3x s ASN 493 Cb -0.18 -2.23 0.00 0.00 1.28 0.00 0.00 41.25 40.13 1a3x s ASN 493 CO 0.16 -0.71 0.00 0.35 -2.04 0.00 0.00 177.10 174.85 1a3x n THR 494 N 5.38 0.00 0.00 0.54 -2.24 0.99 -4.99 114.28 113.95 1a3x n THR 494 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1a3x n THR 494 Cb 0.45 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1a3x n THR 494 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1a3x n LEU 495 N 0.00 0.00 -5.04 3.22 0.00 -1.26 -4.48 117.00 109.44 1a3x n LEU 495 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.81 1a3x n LEU 495 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.49 1a3x n LEU 495 CO 0.00 0.00 0.37 -1.58 0.00 0.00 0.00 177.39 176.18 1a3x s GLN 496 N 0.00 2.23 0.00 1.96 2.00 -0.57 -4.93 119.66 120.35 1a3x s GLN 496 Ca 0.00 -1.69 0.00 0.00 -2.00 0.00 0.00 55.36 51.67 1a3x s GLN 496 Cb 0.00 -2.63 0.00 0.00 0.80 0.00 0.00 33.01 31.18 1a3x s GLN 496 CO 0.00 -0.94 0.48 1.55 -0.50 0.00 0.00 175.29 175.88 1a3x n VAL 497 N -2.30 0.00 -0.73 1.34 3.14 -1.26 -3.19 118.33 115.33 1a3x n VAL 497 Ca 0.17 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.24 1a3x n VAL 497 Cb 0.62 0.23 0.27 0.00 -1.06 0.00 0.00 33.84 33.89 1a3x n VAL 497 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1a3x s SER 498 N -0.45 -0.21 0.47 6.55 0.15 -1.21 -4.68 113.70 114.32 1a3x s SER 498 Ca 0.00 0.69 0.07 0.00 0.70 0.00 0.00 55.95 57.42 1a3x s SER 498 Cb 0.00 -0.95 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1a3x s SER 498 CO 0.00 -4.83 0.44 -0.89 1.20 0.00 0.00 173.24 169.17 1a3x s THR 499 N -2.65 2.36 -2.59 6.45 2.01 -1.26 -2.48 115.64 117.48 1a3x s THR 499 Ca 0.70 -1.33 0.27 0.00 0.31 0.00 0.00 61.69 61.65 1a3x s THR 499 Cb -0.10 -2.69 0.48 0.00 0.01 0.00 0.00 72.50 70.20 1a3x s THR 499 CO 0.57 0.00 1.65 0.52 -0.69 0.00 0.00 174.62 176.67