#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ism h GLN 22 N 0.00 0.38 -0.65 0.00 4.20 -2.08 -3.01 115.11 113.94 3ism h GLN 22 Ca 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 3ism h GLN 22 Cb 0.00 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.61 3ism h GLN 22 CO 0.00 0.25 0.17 0.09 -0.67 0.00 0.00 178.83 178.67 3ism n ASN 23 N -4.90 4.94 -4.41 1.46 3.02 -1.26 -4.88 115.26 109.23 3ism n ASN 23 Ca -0.01 -3.16 -0.34 0.00 -0.03 0.00 0.00 54.58 51.05 3ism n ASN 23 Cb 0.05 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.37 3ism n ASN 23 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ism s ASP 24 N -1.10 4.39 -0.65 6.41 1.01 -1.14 -5.04 116.67 120.55 3ism s ASP 24 Ca 0.54 -0.26 0.06 0.00 0.71 0.00 0.00 52.55 53.60 3ism s ASP 24 Cb 0.43 -1.71 0.24 0.00 1.01 0.00 0.00 42.92 42.89 3ism s ASP 24 CO 0.13 0.13 0.71 -1.22 0.21 0.00 0.00 175.17 175.13 3ism n TYR 25 N 3.80 3.56 -2.71 4.23 4.01 -1.26 -4.69 117.16 124.10 3ism n TYR 25 Ca -0.18 -4.17 -0.43 0.00 -0.16 0.00 0.00 57.90 52.97 3ism n TYR 25 Cb 0.52 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3ism n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3ism s THR 26 N -2.34 4.74 -0.30 -0.72 2.01 -1.26 -4.82 115.64 112.95 3ism s THR 26 Ca 0.38 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.35 3ism s THR 26 Cb 0.13 -4.28 0.07 0.00 0.01 0.00 0.00 72.50 68.43 3ism s THR 26 CO -0.03 -0.10 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.14 3ism s ILE 27 N 2.77 2.52 0.69 1.82 1.01 -1.26 -4.82 121.20 123.92 3ism s ILE 27 Ca 0.44 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 3ism s ILE 27 Cb -0.16 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3ism s ILE 27 CO 0.10 -0.21 1.06 -0.83 0.00 0.00 0.00 174.94 175.05 3ism s GLY 28 N 1.17 1.66 0.00 6.18 0.00 -1.26 -4.96 107.32 110.11 3ism s GLY 28 Ca -0.03 -0.04 0.30 0.00 0.00 0.00 0.00 44.72 44.95 3ism s GLY 28 CO -0.04 0.28 1.97 1.04 0.00 0.00 0.00 173.10 176.35 3ism n LEU 29 N -3.06 0.50 0.00 0.66 4.77 -1.26 -3.20 117.00 115.41 3ism n LEU 29 Ca 0.07 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 3ism n LEU 29 Cb 0.54 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3ism n LEU 29 CO 0.57 0.09 0.13 0.58 -1.33 0.00 0.00 177.39 177.43 3ism h VAL 30 N 0.71 0.32 -2.43 4.08 2.07 -2.05 -3.41 116.25 115.54 3ism h VAL 30 Ca 0.00 -1.11 -0.59 0.00 0.82 0.00 0.00 66.70 65.82 3ism h VAL 30 Cb 0.26 0.58 -0.40 0.00 -1.52 0.00 0.00 31.29 30.22 3ism h VAL 30 CO 0.00 0.10 -0.86 -0.67 0.02 0.00 0.00 177.57 176.16 3ism n ASP 31 N -4.84 1.06 -0.13 0.57 -0.08 -1.26 -5.02 116.55 106.86 3ism n ASP 31 Ca -0.03 -2.79 -0.07 0.00 -1.51 0.00 0.00 54.79 50.39 3ism n ASP 31 Cb 0.13 -0.64 0.02 0.00 2.34 0.00 0.00 41.12 42.97 3ism n ASP 31 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ism h PRO 32 N 5.00 0.45 -0.56 -0.67 0.11 -1.79 -2.11 132.00 132.43 3ism h PRO 32 Ca 0.19 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3ism h PRO 32 Cb 0.83 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3ism h PRO 32 CO 0.54 0.30 0.33 0.28 -0.21 0.00 0.00 178.00 179.24 3ism h VAL 33 N 0.47 1.17 -0.16 3.15 2.07 -1.89 -0.23 116.25 120.83 3ism h VAL 33 Ca 0.17 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3ism h VAL 33 Cb 0.04 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3ism h VAL 33 CO -0.09 0.18 0.07 0.50 0.02 0.00 0.00 177.57 178.25 3ism h LYS 34 N 0.76 0.23 -0.82 1.57 3.64 -1.88 0.87 116.57 120.93 3ism h LYS 34 Ca 0.20 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 3ism h LYS 34 Cb -0.01 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3ism h LYS 34 CO -0.04 0.29 0.47 -0.44 -2.27 0.00 0.00 179.45 177.46 3ism h ASP 35 N 0.12 0.67 -0.05 4.20 3.32 -1.21 -1.28 116.42 122.18 3ism h ASP 35 Ca 0.05 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3ism h ASP 35 Cb 0.13 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ism h ASP 35 CO -0.01 0.38 0.02 0.22 -1.72 0.00 0.00 179.24 178.14 3ism h TYR 36 N 0.79 0.08 -0.20 4.55 3.20 -0.70 -2.78 116.97 121.91 3ism h TYR 36 Ca 0.39 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 3ism h TYR 36 Cb 0.35 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3ism h TYR 36 CO -0.06 0.24 0.10 1.96 -1.64 0.00 0.00 178.16 178.76 3ism h GLN 37 N -0.11 0.26 -0.18 1.82 4.20 -0.56 -2.40 115.11 118.15 3ism h GLN 37 Ca 0.02 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 3ism h GLN 37 Cb 0.20 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3ism h GLN 37 CO -0.00 0.20 -0.69 -0.22 -0.67 0.00 0.00 178.83 177.45 3ism h LYS 38 N 0.27 0.72 -0.19 1.46 3.64 -1.08 -1.01 116.57 120.38 3ism h LYS 38 Ca 0.07 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3ism h LYS 38 Cb 0.02 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ism h LYS 38 CO -0.01 1.16 0.06 -0.07 -2.27 0.00 0.00 179.45 178.32 3ism h LEU 39 N 0.52 0.27 -0.31 5.20 3.38 -1.22 -1.49 115.31 121.67 3ism h LEU 39 Ca -0.03 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3ism h LEU 39 Cb 1.30 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3ism h LEU 39 CO 0.14 0.39 0.08 0.40 0.09 0.00 0.00 178.44 179.54 3ism h ILE 40 N 0.13 0.88 -0.62 1.22 1.08 -1.44 0.11 117.51 118.87 3ism h ILE 40 Ca 0.06 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3ism h ILE 40 Cb 0.21 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 3ism h ILE 40 CO -0.00 0.04 0.20 -0.08 -0.69 0.00 0.00 178.15 177.61 3ism h GLU 41 N 0.20 0.94 0.00 2.37 4.81 -1.03 0.15 114.58 122.02 3ism h GLU 41 Ca 0.14 -0.18 -0.32 0.00 -0.13 0.00 0.00 59.36 58.87 3ism h GLU 41 Cb 0.14 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3ism h GLU 41 CO -0.17 0.80 -1.99 0.25 -0.73 0.00 0.00 179.01 177.17 3ism n THR 42 N -4.28 1.53 0.18 0.32 -2.24 -0.57 -4.21 114.28 105.00 3ism n THR 42 Ca 0.05 -0.81 0.06 0.00 -2.27 0.00 0.00 64.05 61.07 3ism n THR 42 Cb 0.20 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 3ism n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ism n ARG 43 N -2.95 1.40 0.00 -0.78 1.74 0.36 -4.78 116.66 111.66 3ism n ARG 43 Ca -0.24 -0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 56.75 3ism n ARG 43 Cb 1.09 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 31.34 3ism n ARG 43 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ism n VAL 44 N -1.67 0.57 -1.70 1.55 0.31 -0.36 -4.77 118.33 112.26 3ism n VAL 44 Ca -0.01 0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 64.02 3ism n VAL 44 Cb 0.25 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.58 3ism n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ism n GLN 45 N -3.32 3.27 -3.51 5.55 6.02 0.39 -4.93 117.38 120.85 3ism n GLN 45 Ca -0.05 -2.65 -0.39 0.00 -0.01 0.00 0.00 57.00 53.90 3ism n GLN 45 Cb 0.37 -3.08 -0.10 0.00 1.02 0.00 0.00 30.24 28.45 3ism n GLN 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ism s VAL 46 N 2.35 5.26 -0.09 5.09 1.01 -1.26 -4.73 120.40 128.02 3ism s VAL 46 Ca 0.53 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3ism s VAL 46 Cb 0.15 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.98 3ism s VAL 46 CO -0.07 0.15 1.08 0.47 0.00 0.00 0.00 175.10 176.73 3ism n ASP 47 N 5.17 3.00 -4.39 3.32 9.92 -1.26 -4.72 116.55 127.58 3ism n ASP 47 Ca -0.12 -2.17 -0.28 0.00 -0.53 0.00 0.00 54.79 51.69 3ism n ASP 47 Cb 0.51 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 3ism n ASP 47 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3ism s GLU 48 N -0.41 1.42 -0.13 -1.24 2.12 -1.26 -5.10 118.70 114.11 3ism s GLU 48 Ca 0.06 -1.39 -0.29 0.00 0.36 0.00 0.00 54.97 53.71 3ism s GLU 48 Cb 0.05 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 3ism s GLU 48 CO 0.01 0.43 1.48 0.42 -0.54 0.00 0.00 175.26 177.06 3ism s ILE 49 N -1.24 3.90 0.01 -3.70 1.01 -1.26 -4.99 121.20 114.93 3ism s ILE 49 Ca 0.16 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.92 3ism s ILE 49 Cb -0.09 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3ism s ILE 49 CO 0.07 -0.14 -0.11 -0.69 0.00 0.00 0.00 174.94 174.08 3ism s VAL 50 N 3.98 0.84 0.06 2.92 1.01 -1.26 -5.12 120.40 122.83 3ism s VAL 50 Ca 0.65 -0.69 -0.37 0.00 0.00 0.00 0.00 61.98 61.58 3ism s VAL 50 Cb -0.27 -0.75 -0.16 0.00 0.00 0.00 0.00 36.38 35.20 3ism s VAL 50 CO 0.23 0.07 1.42 -0.67 0.00 0.00 0.00 175.10 176.15 3ism n ASP 51 N 2.36 1.96 -0.27 3.32 -0.08 -1.26 -4.87 116.55 117.71 3ism n ASP 51 Ca -0.16 1.11 0.10 0.00 -1.51 0.00 0.00 54.79 54.32 3ism n ASP 51 Cb 0.56 -1.23 0.34 0.00 2.34 0.00 0.00 41.12 43.13 3ism n ASP 51 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 3ism h ASP 52 N 5.08 0.72 -0.81 1.67 3.58 -1.99 -1.76 116.42 122.92 3ism h ASP 52 Ca -0.47 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.07 3ism h ASP 52 Cb 1.32 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 3ism h ASP 52 CO 0.81 0.40 0.49 0.44 -2.88 0.00 0.00 179.24 178.50 3ism h ASP 53 N 0.78 0.77 -0.14 2.28 3.32 -1.99 0.45 116.42 121.88 3ism h ASP 53 Ca 0.43 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 3ism h ASP 53 Cb 0.56 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3ism h ASP 53 CO -0.19 0.50 0.01 0.58 -1.72 0.00 0.00 179.24 178.41 3ism h VAL 54 N 0.90 1.24 -0.39 -1.35 2.07 -1.70 -2.12 116.25 114.90 3ism h VAL 54 Ca 0.35 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ism h VAL 54 Cb 0.16 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ism h VAL 54 CO -0.17 0.23 0.19 0.74 0.02 0.00 0.00 177.57 178.58 3ism h THR 55 N 0.00 1.17 -0.34 2.57 2.02 -1.23 -0.07 112.91 117.03 3ism h THR 55 Ca 0.04 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.78 3ism h THR 55 Cb 0.34 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3ism h THR 55 CO 0.01 0.18 0.11 0.50 0.37 0.00 0.00 175.52 176.69 3ism h LYS 56 N 0.50 0.25 -0.56 6.66 3.64 -0.91 -1.06 116.57 125.09 3ism h LYS 56 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3ism h LYS 56 Cb 0.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3ism h LYS 56 CO -0.02 0.16 0.19 1.49 -2.27 0.00 0.00 179.45 179.01 3ism h GLU 57 N 0.25 0.86 -0.69 1.90 4.57 -1.09 -0.23 114.58 120.16 3ism h GLU 57 Ca 0.15 -0.18 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 3ism h GLU 57 Cb 0.13 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3ism h GLU 57 CO -0.16 0.77 0.36 -0.91 -1.18 0.00 0.00 179.01 177.89 3ism h ASN 58 N 0.78 0.51 -0.29 1.04 2.35 -0.73 0.42 115.58 119.67 3ism h ASN 58 Ca 0.18 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3ism h ASN 58 Cb 0.25 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3ism h ASN 58 CO -0.01 0.32 -0.25 0.15 -1.65 0.00 0.00 177.43 175.98 3ism h PHE 59 N 0.65 0.81 -0.93 1.19 3.57 -1.01 -1.77 116.94 119.45 3ism h PHE 59 Ca 0.32 -0.24 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3ism h PHE 59 Cb 0.26 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 3ism h PHE 59 CO -0.09 0.97 0.58 0.22 -2.23 0.00 0.00 178.31 177.76 3ism h ASP 60 N 0.42 0.91 0.10 0.41 1.82 -0.35 0.33 116.42 120.07 3ism h ASP 60 Ca 0.05 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.58 3ism h ASP 60 Cb 0.82 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 3ism h ASP 60 CO 0.06 0.57 -0.46 0.03 -1.61 0.00 0.00 179.24 177.83 3ism h ARG 61 N 1.04 0.43 -0.16 0.28 2.47 -0.90 -1.53 114.38 116.01 3ism h ARG 61 Ca 0.41 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.85 3ism h ARG 61 Cb 0.22 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3ism h ARG 61 CO -0.19 0.81 -0.10 1.15 0.56 0.00 0.00 179.97 182.20 3ism h THR 62 N 0.35 1.32 -0.65 2.04 2.02 -0.55 -2.81 112.91 114.63 3ism h THR 62 Ca 0.02 -1.18 0.10 0.00 0.77 0.00 0.00 66.41 66.13 3ism h THR 62 Cb 0.94 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 69.03 3ism h THR 62 CO 0.08 0.35 0.27 0.00 0.37 0.00 0.00 175.52 176.59 3ism h ALA 63 N 0.66 0.87 -0.49 6.16 0.00 -0.34 -0.70 119.26 125.41 3ism h ALA 63 Ca 0.03 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ism h ALA 63 Cb 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ism h ALA 63 CO 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 179.25 179.03 3ism h ALA 64 N 1.44 0.91 -0.57 0.00 0.00 -1.29 -0.13 119.26 119.62 3ism h ALA 64 Ca 0.33 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3ism h ALA 64 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ism h ALA 64 CO -0.31 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 3ism h ALA 65 N 1.08 0.86 -0.37 0.00 0.00 -1.19 -2.25 119.26 117.40 3ism h ALA 65 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ism h ALA 65 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ism h ALA 65 CO 0.04 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.09 3ism h ALA 66 N 1.03 0.48 -0.86 0.00 0.00 -0.64 -2.52 119.26 116.74 3ism h ALA 66 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ism h ALA 66 Cb 0.58 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ism h ALA 66 CO 0.03 0.09 0.49 0.00 0.00 0.00 0.00 179.25 179.86 3ism h ARG 67 N 0.45 1.19 0.03 0.00 3.08 -0.95 -1.57 114.38 116.61 3ism h ARG 67 Ca 0.12 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ism h ARG 67 Cb 0.19 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ism h ARG 67 CO -0.01 0.85 -0.02 0.22 -1.07 0.00 0.00 179.97 179.95 3ism h ASP 68 N 1.20 -0.04 -0.55 7.04 3.58 -1.29 -2.32 116.42 124.03 3ism h ASP 68 Ca 0.31 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 3ism h ASP 68 Cb -0.00 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3ism h ASP 68 CO -0.05 0.01 0.09 0.58 -2.88 0.00 0.00 179.24 176.99 3ism h VAL 69 N -0.09 1.25 -0.70 2.25 2.07 -1.30 -1.31 116.25 118.42 3ism h VAL 69 Ca -0.00 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3ism h VAL 69 Cb 0.08 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ism h VAL 69 CO 0.01 0.35 0.44 0.40 0.02 0.00 0.00 177.57 178.79 3ism h ILE 70 N 0.80 1.09 -0.33 4.57 2.04 -1.27 0.17 117.51 124.58 3ism h ILE 70 Ca 0.17 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3ism h ILE 70 Cb 0.41 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3ism h ILE 70 CO 0.01 0.16 0.13 -0.25 0.00 0.00 0.00 178.15 178.20 3ism h TRP 71 N 0.86 0.51 -0.65 1.37 2.91 -1.12 -2.11 115.95 117.72 3ism h TRP 71 Ca 0.28 -0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.22 3ism h TRP 71 Cb 0.03 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 3ism h TRP 71 CO -0.04 0.48 0.21 0.00 -1.03 0.00 0.00 178.44 178.06 3ism h ARG 72 N 0.39 1.00 -0.35 2.65 3.08 -0.91 -1.30 114.38 118.94 3ism h ARG 72 Ca 0.11 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3ism h ARG 72 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3ism h ARG 72 CO -0.01 0.87 0.11 -0.07 -1.07 0.00 0.00 179.97 179.80 3ism h LEU 73 N 0.93 0.44 0.13 3.04 3.38 -0.45 -0.84 115.31 121.93 3ism h LEU 73 Ca 0.21 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 3ism h LEU 73 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ism h LEU 73 CO -0.01 0.43 -1.47 -0.07 0.09 0.00 0.00 178.44 177.41 3ism h LEU 74 N 0.49 0.41 0.00 1.67 3.38 -1.24 -3.39 115.31 116.63 3ism h LEU 74 Ca 0.12 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ism h LEU 74 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ism h LEU 74 CO -0.01 1.44 -0.61 0.49 0.09 0.00 0.00 178.44 179.84 3ism n PHE 75 N -3.48 0.00 0.20 1.13 3.72 -0.50 -4.75 117.46 113.78 3ism n PHE 75 Ca -0.15 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.42 3ism n PHE 75 Cb 1.04 -0.00 0.82 0.00 -0.94 0.00 0.00 39.48 40.40 3ism n PHE 75 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ism h ASP 76 N 0.00 0.00 -0.07 4.37 5.19 -1.32 -3.46 116.42 121.13 3ism h ASP 76 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3ism h ASP 76 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3ism h ASP 76 CO 0.00 0.00 -0.03 -0.62 -3.12 0.00 0.00 179.24 175.47 3ism n GLU 77 N -3.84 -1.21 -2.87 3.56 1.02 -1.26 -5.01 120.64 111.02 3ism n GLU 77 Ca 0.02 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.26 3ism n GLU 77 Cb 0.32 -4.33 -0.02 0.00 -0.02 0.00 0.00 31.44 27.40 3ism n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ism s ALA 78 N -1.50 3.45 0.00 0.62 0.00 -1.26 -4.97 121.76 118.10 3ism s ALA 78 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3ism s ALA 78 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3ism s ALA 78 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3ism n GLY 79 N -1.73 0.46 3.32 0.00 0.00 -1.26 -4.80 105.19 101.18 3ism n GLY 79 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 3ism n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ism s THR 80 N 0.00 1.92 0.21 2.61 -4.23 -1.26 -5.05 115.64 109.84 3ism s THR 80 Ca 0.00 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 58.90 3ism s THR 80 Cb 0.00 -1.70 0.15 0.00 1.34 0.00 0.00 72.50 72.29 3ism s THR 80 CO 0.00 0.08 1.76 0.77 -0.54 0.00 0.00 174.62 176.70 3ism h SER 81 N 4.24 1.10 -0.80 3.99 4.64 -1.94 -0.05 113.55 124.73 3ism h SER 81 Ca -0.47 -0.19 0.11 0.00 -0.47 0.00 0.00 61.79 60.78 3ism h SER 81 Cb 1.17 -0.29 -0.13 0.00 -0.31 0.00 0.00 62.40 62.84 3ism h SER 81 CO 0.41 0.99 -0.43 1.56 -0.87 0.00 0.00 176.83 178.48 3ism h GLN 82 N 1.14 -0.10 0.04 4.77 7.50 -1.99 0.13 115.11 126.61 3ism h GLN 82 Ca 0.26 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.41 3ism h GLN 82 Cb 0.25 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.80 3ism h GLN 82 CO -0.02 -0.06 -0.02 0.77 -1.50 0.00 0.00 178.83 178.00 3ism h SER 83 N -0.10 -0.05 0.28 1.46 0.02 -1.94 -3.29 113.55 109.94 3ism h SER 83 Ca 0.25 -0.58 -0.17 0.00 -0.84 0.00 0.00 61.79 60.45 3ism h SER 83 Cb 0.55 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3ism h SER 83 CO -0.84 0.58 -0.66 0.78 -1.14 0.00 0.00 176.83 175.55 3ism h ASN 84 N -0.70 0.41 -0.63 3.07 2.35 -0.75 -2.38 115.58 116.94 3ism h ASN 84 Ca -0.01 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.42 3ism h ASN 84 Cb 0.62 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3ism h ASN 84 CO 0.01 0.96 0.11 0.74 -1.65 0.00 0.00 177.43 177.59 3ism h THR 85 N 0.25 1.26 -0.47 2.81 2.02 -0.92 -1.36 112.91 116.51 3ism h THR 85 Ca -0.02 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3ism h THR 85 Cb 1.21 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3ism h THR 85 CO 0.11 0.37 0.26 -0.08 0.37 0.00 0.00 175.52 176.55 3ism h GLU 86 N 0.95 0.66 -0.62 6.66 4.57 -1.59 -0.80 114.58 124.41 3ism h GLU 86 Ca 0.19 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3ism h GLU 86 Cb 0.42 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 3ism h GLU 86 CO 0.01 0.52 0.37 0.87 -1.18 0.00 0.00 179.01 179.60 3ism h LYS 87 N 0.62 0.69 -0.55 1.92 1.57 -1.22 -1.83 116.57 117.77 3ism h LYS 87 Ca 0.17 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3ism h LYS 87 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3ism h LYS 87 CO -0.03 0.45 0.17 0.00 -0.57 0.00 0.00 179.45 179.48 3ism h ALA 88 N 1.29 0.72 0.07 3.86 0.00 -0.95 -1.61 119.26 122.65 3ism h ALA 88 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ism h ALA 88 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ism h ALA 88 CO -0.13 0.38 -0.09 1.03 0.00 0.00 0.00 179.25 180.44 3ism h SER 89 N 0.76 -0.24 -0.42 0.00 0.87 -0.92 0.17 113.55 113.78 3ism h SER 89 Ca 0.18 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3ism h SER 89 Cb 0.28 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3ism h SER 89 CO -0.01 -0.14 0.20 1.56 -0.53 0.00 0.00 176.83 177.92 3ism h GLN 90 N -0.19 0.60 -0.51 2.24 4.20 -1.27 -1.03 115.11 119.14 3ism h GLN 90 Ca 0.01 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3ism h GLN 90 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3ism h GLN 90 CO -0.04 0.51 0.16 1.25 -0.67 0.00 0.00 178.83 180.04 3ism h LEU 91 N 0.53 0.74 -0.35 1.46 5.85 -1.21 -2.21 115.31 120.12 3ism h LEU 91 Ca 0.14 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3ism h LEU 91 Cb 0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3ism h LEU 91 CO -0.02 0.75 0.21 0.25 -0.34 0.00 0.00 178.44 179.29 3ism h LEU 92 N 0.70 0.33 0.07 2.25 5.85 -0.43 0.23 115.31 124.31 3ism h LEU 92 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ism h LEU 92 Cb 0.27 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ism h LEU 92 CO -0.01 0.24 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.18 3ism h GLU 93 N 0.42 -0.16 -0.24 1.25 4.81 -1.14 0.92 114.58 120.44 3ism h GLU 93 Ca 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ism h GLU 93 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3ism h GLU 93 CO -0.07 -0.11 0.16 1.49 -0.73 0.00 0.00 179.01 179.75 3ism h GLU 94 N -0.17 0.31 -0.12 1.92 4.57 -1.20 -2.19 114.58 117.70 3ism h GLU 94 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3ism h GLU 94 Cb 0.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3ism h GLU 94 CO -0.03 0.21 0.07 -0.92 -1.18 0.00 0.00 179.01 177.16 3ism h TYR 95 N 0.32 0.15 -0.97 0.92 3.20 -0.41 -2.68 116.97 117.50 3ism h TYR 95 Ca 0.09 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3ism h TYR 95 Cb -0.03 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.10 3ism h TYR 95 CO -0.06 0.12 0.60 -0.09 -1.64 0.00 0.00 178.16 177.09 3ism h ARG 96 N 0.14 0.92 -0.87 1.82 2.43 -0.75 0.31 114.38 118.38 3ism h ARG 96 Ca 0.04 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ism h ARG 96 Cb 0.01 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 3ism h ARG 96 CO -0.01 0.61 0.58 0.78 -1.51 0.00 0.00 179.97 180.42 3ism h GLY 97 N 0.95 1.23 0.94 2.80 0.00 -1.07 -1.03 103.07 106.89 3ism h GLY 97 Ca 0.48 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 3ism h GLY 97 CO -0.27 0.43 -0.64 -0.55 0.00 0.00 0.00 176.54 175.52 3ism h ASP 98 N 1.16 0.68 -0.76 0.19 3.32 -1.08 -3.31 116.42 116.63 3ism h ASP 98 Ca 0.32 -0.68 0.07 0.00 0.02 0.00 0.00 57.03 56.77 3ism h ASP 98 Cb -0.10 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 3ism h ASP 98 CO -0.08 1.26 0.50 0.00 -1.72 0.00 0.00 179.24 179.21 3ism h ALA 99 N 0.44 1.70 -0.13 3.45 0.00 -0.48 0.76 119.26 124.99 3ism h ALA 99 Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ism h ALA 99 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ism h ALA 99 CO 0.13 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.65 3ism n PHE 101 N -4.27 0.40 0.02 0.00 7.35 -0.48 -4.34 117.46 116.14 3ism n PHE 101 Ca 0.00 0.15 -0.22 0.00 -0.76 0.00 0.00 57.45 56.62 3ism n PHE 101 Cb 0.23 -1.04 -0.14 0.00 0.35 0.00 0.00 39.48 38.88 3ism n PHE 101 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3ism h TYR 102 N -0.78 0.52 -0.28 -5.13 -1.99 -0.87 -3.47 116.97 104.97 3ism h TYR 102 Ca -0.56 -0.38 -0.13 0.00 2.00 0.00 0.00 58.73 59.65 3ism h TYR 102 Cb 1.60 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 40.16 3ism h TYR 102 CO -0.01 1.68 -0.33 -3.47 -0.00 0.00 0.00 178.16 176.02 3ism n ASP 103 N -3.69 -2.47 0.10 3.88 -0.08 0.09 -5.03 116.55 109.35 3ism n ASP 103 Ca -0.28 -2.51 -0.02 0.00 -1.51 0.00 0.00 54.79 50.46 3ism n ASP 103 Cb 1.00 1.40 0.20 0.00 2.34 0.00 0.00 41.12 46.05 3ism n ASP 103 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ism h PRO 104 N 4.09 0.19 -0.19 -0.67 0.11 -1.49 -3.34 132.00 130.70 3ism h PRO 104 Ca -0.09 -0.11 0.05 0.00 0.11 0.00 0.00 66.00 65.96 3ism h PRO 104 Cb 1.11 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3ism h PRO 104 CO 0.07 0.64 -0.21 1.15 -0.21 0.00 0.00 178.00 179.44 3ism h THR 105 N 0.16 0.47 -0.86 -1.15 2.02 -1.96 0.37 112.91 111.95 3ism h THR 105 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3ism h THR 105 Cb 0.92 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3ism h THR 105 CO 0.07 0.00 0.51 -0.65 0.37 0.00 0.00 175.52 175.82 3ism h PRO 106 N -0.23 1.18 -0.12 6.66 0.11 -1.99 -1.92 132.00 135.69 3ism h PRO 106 Ca 0.12 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3ism h PRO 106 Cb 0.41 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ism h PRO 106 CO -0.33 0.84 0.04 -0.92 -0.21 0.00 0.00 178.00 177.42 3ism h TYR 107 N 1.19 0.19 -0.78 0.65 3.20 -1.53 -2.34 116.97 117.56 3ism h TYR 107 Ca 0.31 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3ism h TYR 107 Cb -0.03 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 3ism h TYR 107 CO 0.00 0.33 0.51 -0.91 -1.64 0.00 0.00 178.16 176.45 3ism h ASN 108 N 0.00 0.72 -0.03 -2.11 4.21 0.12 -0.80 115.58 117.69 3ism h ASN 108 Ca 0.04 0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.30 3ism h ASN 108 Cb 0.23 -0.15 0.02 0.00 -1.12 0.00 0.00 38.32 37.30 3ism h ASN 108 CO -0.00 0.46 -0.97 -0.33 -1.29 0.00 0.00 177.43 175.30 3ism h GLU 109 N 0.81 0.73 -0.10 0.81 5.08 -1.31 -3.32 114.58 117.27 3ism h GLU 109 Ca 0.34 -0.72 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 3ism h GLU 109 Cb 0.28 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ism h GLU 109 CO -0.12 1.30 -0.69 2.35 -1.00 0.00 0.00 179.01 180.85 3ism h TRP 110 N 0.44 0.57 0.00 4.33 7.01 -0.98 -3.17 115.95 124.15 3ism h TRP 110 Ca -0.11 -0.24 -0.04 0.00 2.11 0.00 0.00 58.89 60.61 3ism h TRP 110 Cb 1.61 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.58 3ism h TRP 110 CO 0.10 0.99 -0.18 0.97 -2.79 0.00 0.00 178.44 177.53 3ism h ILE 111 N 0.30 0.83 -0.24 2.65 6.09 -1.27 -0.71 117.51 125.17 3ism h ILE 111 Ca -0.02 -0.69 -0.05 0.00 -1.37 0.00 0.00 64.86 62.72 3ism h ILE 111 Cb 1.26 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.95 3ism h ILE 111 CO 0.12 0.18 -0.05 0.58 -3.07 0.00 0.00 178.15 175.90 3ism h VAL 112 N 0.00 1.28 -0.78 2.19 2.07 -1.65 -1.02 116.25 118.35 3ism h VAL 112 Ca -0.00 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3ism h VAL 112 Cb 0.39 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3ism h VAL 112 CO 0.02 0.33 0.32 0.11 0.02 0.00 0.00 177.57 178.37 3ism h LYS 113 N 0.20 1.16 -0.10 1.57 1.57 -1.48 -1.12 116.57 118.38 3ism h LYS 113 Ca 0.06 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3ism h LYS 113 Cb 0.51 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ism h LYS 113 CO 0.02 0.93 0.06 1.25 -0.57 0.00 0.00 179.45 181.15 3ism h LEU 114 N 1.13 0.11 -0.49 2.94 5.85 -1.05 -1.38 115.31 122.41 3ism h LEU 114 Ca 0.26 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3ism h LEU 114 Cb 0.20 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3ism h LEU 114 CO -0.02 0.10 0.16 -0.09 -0.34 0.00 0.00 178.44 178.25 3ism h ARG 115 N 0.11 0.32 -0.49 1.25 2.43 -1.05 0.05 114.38 117.00 3ism h ARG 115 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3ism h ARG 115 Cb 0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3ism h ARG 115 CO -0.01 0.21 0.20 -0.44 -1.51 0.00 0.00 179.97 178.43 3ism h ASP 116 N 0.33 0.63 -0.19 -3.80 5.19 -0.83 0.30 116.42 118.06 3ism h ASP 116 Ca 0.24 -0.07 -0.19 0.00 -0.62 0.00 0.00 57.03 56.39 3ism h ASP 116 Cb 0.26 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3ism h ASP 116 CO -0.25 0.57 -0.60 -0.08 -3.12 0.00 0.00 179.24 175.77 3ism h GLU 117 N 0.70 0.79 -0.59 3.56 4.57 -0.82 -2.09 114.58 120.70 3ism h GLU 117 Ca 0.17 -0.53 0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3ism h GLU 117 Cb 0.13 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3ism h GLU 117 CO -0.02 1.16 0.35 0.28 -1.18 0.00 0.00 179.01 179.60 3ism h VAL 118 N 0.60 1.05 -0.14 0.32 2.07 0.02 -2.05 116.25 118.12 3ism h VAL 118 Ca 0.00 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 3ism h VAL 118 Cb 1.20 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ism h VAL 118 CO 0.13 0.13 -0.67 -0.07 0.02 0.00 0.00 177.57 177.10 3ism h LEU 119 N 0.69 0.83 -0.91 2.57 3.38 -0.95 -0.81 115.31 120.11 3ism h LEU 119 Ca 0.24 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3ism h LEU 119 Cb 0.04 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3ism h LEU 119 CO -0.11 1.33 0.58 0.50 0.09 0.00 0.00 178.44 180.83 3ism h LYS 120 N 0.39 1.05 -0.01 1.13 3.64 -1.35 -1.36 116.57 120.06 3ism h LYS 120 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3ism h LYS 120 Cb 1.31 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3ism h LYS 120 CO 0.14 0.70 -0.03 1.63 -2.27 0.00 0.00 179.45 179.62 3ism n LYS 121 N -4.55 1.25 -3.67 1.90 5.02 -0.77 -4.94 118.16 112.39 3ism n LYS 121 Ca 0.13 -0.50 -0.24 0.00 -2.02 0.00 0.00 58.31 55.68 3ism n LYS 121 Cb 0.14 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3ism n LYS 121 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ism n GLU 122 N -0.44 -6.62 -2.10 1.97 1.02 -0.52 -4.90 120.64 109.05 3ism n GLU 122 Ca 0.20 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 3ism n GLU 122 Cb 0.26 -5.67 -0.00 0.00 -0.02 0.00 0.00 31.44 26.01 3ism n GLU 122 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ism n LEU 123 N -4.66 7.24 0.14 -4.62 4.77 -0.39 -4.80 117.00 114.68 3ism n LEU 123 Ca -0.08 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.26 3ism n LEU 123 Cb 0.59 -1.47 0.16 0.00 -2.33 0.00 0.00 43.42 40.37 3ism n LEU 123 CO 0.68 1.60 0.49 -0.07 -1.33 0.00 0.00 177.39 178.76 3ism h LEU 124 N 7.36 0.00 -0.08 2.23 3.38 -1.91 -1.75 115.31 124.55 3ism h LEU 124 Ca 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 3ism h LEU 124 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ism h LEU 124 CO 1.63 0.60 0.03 0.44 0.09 0.00 0.00 178.44 181.22 3ism h ASP 125 N 0.00 0.12 -0.99 -0.43 3.32 -1.99 0.94 116.42 117.39 3ism h ASP 125 Ca -0.01 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.89 3ism h ASP 125 Cb 1.18 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 3ism h ASP 125 CO 0.08 0.30 0.64 0.15 -1.72 0.00 0.00 179.24 178.69 3ism h PHE 126 N -0.06 1.19 0.19 4.55 3.57 -1.92 0.62 116.94 125.09 3ism h PHE 126 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3ism h PHE 126 Cb 0.22 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3ism h PHE 126 CO -0.00 0.65 -0.09 2.35 -2.23 0.00 0.00 178.31 178.99 3ism h TRP 127 N 1.20 -0.24 -0.09 0.41 2.91 -1.08 -1.61 115.95 117.45 3ism h TRP 127 Ca 0.41 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.39 3ism h TRP 127 Cb 0.10 0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3ism h TRP 127 CO -0.00 -0.04 -0.09 0.00 -1.03 0.00 0.00 178.44 177.28 3ism h ARG 128 N -0.39 0.22 0.02 2.65 3.08 -0.46 -0.63 114.38 118.86 3ism h ARG 128 Ca -0.03 -0.12 -0.26 0.00 0.07 0.00 0.00 59.98 59.65 3ism h ARG 128 Cb 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3ism h ARG 128 CO 0.04 0.64 -1.41 -0.44 -1.07 0.00 0.00 179.97 177.74 3ism h ASP 129 N -0.20 0.06 0.00 7.04 3.32 0.16 -2.19 116.42 124.61 3ism h ASP 129 Ca 0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3ism h ASP 129 Cb 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ism h ASP 129 CO 0.02 1.07 -0.03 0.52 -1.72 0.00 0.00 179.24 179.10 3ism n VAL 130 N -3.22 0.06 -0.21 -1.35 0.31 -0.68 -4.08 118.33 109.16 3ism n VAL 130 Ca -0.10 0.39 -0.07 0.00 -0.01 0.00 0.00 64.34 64.55 3ism n VAL 130 Cb 1.01 -1.44 0.03 0.00 -0.91 0.00 0.00 33.84 32.53 3ism n VAL 130 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ism h LEU 131 N -0.03 0.80 0.05 7.52 3.38 -1.28 -1.46 115.31 124.29 3ism h LEU 131 Ca 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ism h LEU 131 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ism h LEU 131 CO 0.00 0.73 -0.02 0.58 0.09 0.00 0.00 178.44 179.81 3ism h VAL 132 N 0.82 0.00 -0.81 1.22 2.07 -1.26 -0.60 116.25 117.70 3ism h VAL 132 Ca 0.20 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3ism h VAL 132 Cb 0.15 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 3ism h VAL 132 CO -0.02 0.00 0.50 0.50 0.02 0.00 0.00 177.57 178.57 3ism h LYS 133 N -1.01 1.08 -0.09 1.57 3.64 -1.47 -1.31 116.57 118.99 3ism h LYS 133 Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ism h LYS 133 Cb 0.05 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3ism h LYS 133 CO 0.01 0.75 0.00 1.63 -2.27 0.00 0.00 179.45 179.57 3ism n LYS 134 N -4.48 1.36 -3.77 1.90 5.02 -0.55 -4.93 118.16 112.71 3ism n LYS 134 Ca 0.08 -0.55 -0.28 0.00 -2.02 0.00 0.00 58.31 55.55 3ism n LYS 134 Cb 0.05 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3ism n LYS 134 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ism n GLN 135 N -0.22 -2.50 -1.00 1.97 6.02 -0.49 -4.90 117.38 116.25 3ism n GLN 135 Ca 0.14 0.47 -0.03 0.00 -0.01 0.00 0.00 57.00 57.57 3ism n GLN 135 Cb 0.19 -4.43 0.33 0.00 1.02 0.00 0.00 30.24 27.35 3ism n GLN 135 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ism n LEU 136 N -4.27 6.04 0.00 1.08 4.77 -0.24 -4.92 117.00 119.47 3ism n LEU 136 Ca -0.20 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 3ism n LEU 136 Cb 0.64 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ism n LEU 136 CO 0.70 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 3ism n GLY 137 N 0.06 -0.24 3.62 -0.72 0.00 -1.26 -4.97 105.19 101.68 3ism n GLY 137 Ca 0.38 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3ism n GLY 137 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ism n PRO 138 N 0.00 1.48 -2.09 1.61 -0.02 -1.26 -4.95 135.00 129.77 3ism n PRO 138 Ca 0.00 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 3ism n PRO 138 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3ism n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ism n TRP 140 N -0.27 -0.54 0.32 0.00 4.27 -1.26 -4.97 117.44 114.99 3ism n TRP 140 Ca 0.06 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.78 3ism n TRP 140 Cb 0.45 0.00 0.51 0.00 -1.36 0.00 0.00 31.31 30.91 3ism n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 3ism n SER 141 N -0.82 0.60 -0.09 -0.67 3.41 -1.26 -1.07 113.62 113.72 3ism n SER 141 Ca 0.00 0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 59.24 3ism n SER 141 Cb 0.00 -0.80 0.14 0.00 -0.26 0.00 0.00 64.21 63.29 3ism n SER 141 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3ism h ARG 142 N 0.00 0.76 0.00 4.33 2.43 -1.95 -3.37 114.38 116.59 3ism h ARG 142 Ca 0.00 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3ism h ARG 142 Cb 0.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3ism h ARG 142 CO 0.00 0.84 0.00 -0.40 -1.51 0.00 0.00 179.97 178.90 3ism n ASP 143 N -4.17 0.71 -3.81 -3.80 5.68 -0.68 -5.07 116.55 105.41 3ism n ASP 143 Ca 0.01 -1.07 -0.13 0.00 -0.50 0.00 0.00 54.79 53.10 3ism n ASP 143 Cb 0.36 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.19 3ism n ASP 143 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3ism s SER 144 N -0.07 -0.01 0.00 -1.12 0.15 -0.23 -4.86 113.70 107.56 3ism s SER 144 Ca 0.00 0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.95 3ism s SER 144 Cb 0.00 0.04 1.22 0.00 -1.71 0.00 0.00 66.02 65.57 3ism s SER 144 CO 0.00 -0.08 1.66 -0.90 1.20 0.00 0.00 173.24 175.13 3ism n ASP 145 N 3.65 0.00 -0.25 5.45 5.68 -1.26 -2.60 116.55 127.22 3ism n ASP 145 Ca -0.20 -0.95 0.14 0.00 -0.50 0.00 0.00 54.79 53.29 3ism n ASP 145 Cb 0.55 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.16 3ism n ASP 145 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ism n LEU 146 N -0.90 0.83 -4.31 -2.12 4.77 -1.26 -4.89 117.00 109.10 3ism n LEU 146 Ca 0.15 -0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 55.74 3ism n LEU 146 Cb 0.07 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 3ism n LEU 146 CO 0.12 0.14 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.61 3ism s PHE 147 N -2.17 1.50 0.27 -1.77 0.40 -1.07 -5.05 117.98 110.09 3ism s PHE 147 Ca 0.37 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 3ism s PHE 147 Cb 0.21 -0.84 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 3ism s PHE 147 CO 0.40 0.01 0.32 -0.40 0.70 0.00 0.00 175.22 176.24 3ism n ASP 148 N -0.37 -0.85 0.17 1.36 3.85 -1.26 -4.68 116.55 114.77 3ism n ASP 148 Ca -0.06 -2.58 0.13 0.00 -0.71 0.00 0.00 54.79 51.57 3ism n ASP 148 Cb 0.63 1.71 0.57 0.00 -1.35 0.00 0.00 41.12 42.68 3ism n ASP 148 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3ism h SER 149 N 1.57 0.00 0.78 -1.12 4.64 -2.00 -2.35 113.55 115.06 3ism h SER 149 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ism h SER 149 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3ism h SER 149 CO 0.28 0.00 -0.46 0.47 -0.87 0.00 0.00 176.83 176.25 3ism n ASP 150 N -2.42 0.54 -4.80 4.97 8.00 -1.26 -4.88 116.55 116.70 3ism n ASP 150 Ca 0.01 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 3ism n ASP 150 Cb 0.21 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3ism n ASP 150 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ism s ASP 151 N -3.61 5.91 -0.20 -2.24 1.01 -0.89 -5.00 116.67 111.65 3ism s ASP 151 Ca 0.09 1.88 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 3ism s ASP 151 Cb 0.16 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 3ism s ASP 151 CO 0.68 -1.08 1.20 -0.89 0.21 0.00 0.00 175.17 175.29 3ism s THR 152 N -2.28 4.39 0.50 -1.27 2.01 -1.26 -4.97 115.64 112.76 3ism s THR 152 Ca 0.65 1.67 -0.22 0.00 0.31 0.00 0.00 61.69 64.10 3ism s THR 152 Cb -0.17 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 3ism s THR 152 CO 0.32 -0.19 1.25 -2.16 -0.69 0.00 0.00 174.62 173.15 3ism s PRO 153 N 3.48 3.48 -1.06 4.92 0.04 -1.26 -4.90 135.00 139.70 3ism s PRO 153 Ca 0.51 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 3ism s PRO 153 Cb -0.19 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3ism s PRO 153 CO 0.13 -0.84 2.92 -0.35 0.04 0.00 0.00 177.00 178.90 3ism n PRO 154 N -0.72 3.43 -0.15 0.56 -0.04 -1.26 -4.61 135.00 132.21 3ism n PRO 154 Ca 0.09 -2.31 -0.11 0.00 -0.04 0.00 0.00 63.50 61.12 3ism n PRO 154 Cb 0.47 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3ism n PRO 154 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ism h LEU 155 N 5.80 1.01 -0.12 1.53 5.85 -2.00 -3.20 115.31 124.17 3ism h LEU 155 Ca 0.63 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ism h LEU 155 Cb 0.60 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3ism h LEU 155 CO 1.26 1.20 0.00 -0.33 -0.34 0.00 0.00 178.44 180.23 3ism h GLU 156 N 0.83 0.00 -0.98 1.25 4.39 -1.98 -2.73 114.58 115.36 3ism h GLU 156 Ca 0.10 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.95 3ism h GLU 156 Cb 0.84 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.39 3ism h GLU 156 CO 0.07 0.00 0.59 0.35 -1.16 0.00 0.00 179.01 178.87 3ism h PHE 157 N 0.00 1.06 0.00 4.33 3.57 -1.94 -2.75 116.94 121.22 3ism h PHE 157 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ism h PHE 157 Cb 0.82 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3ism h PHE 157 CO 0.00 0.32 -0.56 0.66 -2.23 0.00 0.00 178.31 176.51 3ism n TYR 158 N -4.72 0.19 -1.66 0.41 4.02 -1.03 -4.59 117.16 109.79 3ism n TYR 158 Ca 0.20 0.05 -0.41 0.00 -0.01 0.00 0.00 57.90 57.74 3ism n TYR 158 Cb 0.45 -0.40 -0.01 0.00 -0.02 0.00 0.00 39.34 39.36 3ism n TYR 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ism n ALA 159 N -1.62 6.55 -3.06 -0.72 0.00 -1.04 -3.78 120.51 116.84 3ism n ALA 159 Ca 0.05 -3.81 -0.12 0.00 0.00 0.00 0.00 53.44 49.56 3ism n ALA 159 Cb 0.37 -3.30 -0.11 0.00 0.00 0.00 0.00 19.45 16.41 3ism n ALA 159 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ism s HIS 160 N 1.86 -0.06 -1.20 0.00 3.76 -1.23 -4.91 115.29 113.50 3ism s HIS 160 Ca 0.57 0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 55.54 3ism s HIS 160 Cb 0.16 0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.86 3ism s HIS 160 CO -0.07 -0.17 1.05 0.00 -0.85 0.00 0.00 174.74 174.70 3ism n ALA 161 N 2.29 -1.22 -0.92 -1.40 0.00 -1.26 -2.22 120.51 115.78 3ism n ALA 161 Ca -0.17 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3ism n ALA 161 Cb 0.57 -4.78 0.00 0.00 0.00 0.00 0.00 19.45 15.24 3ism n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ism n GLY 162 N -1.80 0.50 3.95 0.00 0.00 -1.26 -5.02 105.19 101.56 3ism n GLY 162 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3ism n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ism s THR 164 N -2.26 0.56 0.25 0.00 -4.23 -1.25 -3.52 115.64 105.20 3ism s THR 164 Ca 0.40 -1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 58.65 3ism s THR 164 Cb -0.09 -2.03 -0.11 0.00 1.34 0.00 0.00 72.50 71.60 3ism s THR 164 CO 0.34 -0.54 1.59 0.00 -0.54 0.00 0.00 174.62 175.47 3ism s ALA 165 N -3.73 3.77 0.57 3.99 0.00 -1.26 -4.88 121.76 120.22 3ism s ALA 165 Ca 0.22 1.50 0.26 0.00 0.00 0.00 0.00 51.96 53.94 3ism s ALA 165 Cb 0.06 -3.64 1.66 0.00 0.00 0.00 0.00 23.12 21.20 3ism s ALA 165 CO 0.02 -0.90 2.20 -1.35 0.00 0.00 0.00 175.76 175.73 3ism h PRO 166 N 5.60 0.00 -0.07 0.00 0.11 -1.95 -0.73 132.00 134.96 3ism h PRO 166 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ism h PRO 166 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ism h PRO 166 CO 0.84 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.60 3ism n PHE 167 N -4.01 0.08 -0.14 0.65 -1.74 -1.26 -4.45 117.46 106.58 3ism n PHE 167 Ca -0.02 -0.04 -0.05 0.00 -0.56 0.00 0.00 57.45 56.79 3ism n PHE 167 Cb 0.14 0.00 0.04 0.00 1.52 0.00 0.00 39.48 41.18 3ism n PHE 167 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3ism h ALA 168 N 4.12 0.52 -0.92 1.98 0.00 -1.49 -2.25 119.26 121.22 3ism h ALA 168 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ism h ALA 168 Cb 0.38 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ism h ALA 168 CO 0.00 -0.23 0.56 0.00 0.00 0.00 0.00 179.25 179.58 3ism h ALA 169 N 1.29 1.26 -0.93 0.00 0.00 -1.80 -2.57 119.26 116.50 3ism h ALA 169 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ism h ALA 169 Cb 0.20 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3ism h ALA 169 CO -0.21 0.64 0.57 0.66 0.00 0.00 0.00 179.25 180.91 3ism h SER 170 N 1.27 1.12 -0.19 0.00 4.64 -1.72 -3.00 113.55 115.66 3ism h SER 170 Ca 0.33 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3ism h SER 170 Cb -0.07 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.73 3ism h SER 170 CO -0.06 0.85 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.40 3ism h LEU 171 N 1.28 0.69 -0.95 5.97 3.38 -1.04 -1.92 115.31 122.72 3ism h LEU 171 Ca 0.34 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ism h LEU 171 Cb -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3ism h LEU 171 CO -0.06 0.93 0.31 0.11 0.09 0.00 0.00 178.44 179.82 3ism h LYS 172 N 0.58 1.07 -0.07 1.13 1.57 -1.39 -2.85 116.57 116.62 3ism h LYS 172 Ca 0.07 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3ism h LYS 172 Cb 0.77 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3ism h LYS 172 CO 0.06 0.86 -0.71 0.28 -0.57 0.00 0.00 179.45 179.37 3ism h VAL 173 N 1.06 1.39 -3.87 0.50 2.07 -1.40 -3.52 116.25 112.48 3ism h VAL 173 Ca 0.25 -2.14 -0.53 0.00 0.82 0.00 0.00 66.70 65.11 3ism h VAL 173 Cb 0.17 2.11 0.07 0.00 -1.52 0.00 0.00 31.29 32.12 3ism h VAL 173 CO -0.03 0.64 0.67 -0.13 0.02 0.00 0.00 177.57 178.74 3ism s ARG 174 N -3.62 4.31 0.00 1.57 1.81 -0.73 -5.13 118.95 117.16 3ism s ARG 174 Ca -0.05 2.28 0.00 0.00 -1.72 0.00 0.00 55.73 56.24 3ism s ARG 174 Cb 0.11 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.55 3ism s ARG 174 CO 0.83 -0.25 0.00 -0.11 -0.68 0.00 0.00 175.30 175.09 3ism n LEU 219 N 0.82 0.00 0.12 2.53 7.94 -1.26 -4.96 117.00 122.19 3ism n LEU 219 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3ism n LEU 219 Cb 0.41 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.74 3ism n LEU 219 CO 0.60 0.00 0.87 -0.33 -1.11 0.00 0.00 177.39 177.42 3ism h GLU 220 N 0.00 0.00 -0.33 1.96 5.08 -1.99 -0.37 114.58 118.93 3ism h GLU 220 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3ism h GLU 220 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ism h GLU 220 CO 0.00 0.00 -0.43 1.49 -1.00 0.00 0.00 179.01 179.07 3ism h GLU 221 N 0.00 0.83 -0.34 2.33 4.81 -2.05 -0.84 114.58 119.32 3ism h GLU 221 Ca 0.00 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 3ism h GLU 221 Cb 0.77 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3ism h GLU 221 CO 0.00 1.09 -0.17 -0.92 -0.73 0.00 0.00 179.01 178.28 3ism h TYR 222 N 0.67 0.83 0.17 0.92 3.20 -1.90 -2.97 116.97 117.90 3ism h TYR 222 Ca 0.05 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3ism h TYR 222 Cb 1.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.08 3ism h TYR 222 CO 0.06 0.92 -0.08 0.00 -1.64 0.00 0.00 178.16 177.42 3ism h ARG 223 N 0.49 -0.23 -0.88 1.82 3.08 -1.02 -1.31 114.38 116.34 3ism h ARG 223 Ca 0.08 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ism h ARG 223 Cb 0.70 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 3ism h ARG 223 CO 0.05 -0.05 0.49 1.15 -1.07 0.00 0.00 179.97 180.54 3ism h THR 224 N -0.35 1.25 -0.43 2.04 2.02 -1.25 0.23 112.91 116.41 3ism h THR 224 Ca -0.02 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 3ism h THR 224 Cb 0.28 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3ism h THR 224 CO 0.04 0.28 0.01 0.25 0.37 0.00 0.00 175.52 176.47 3ism h LEU 225 N 1.23 0.66 -0.65 2.58 5.85 -1.45 -0.08 115.31 123.45 3ism h LEU 225 Ca 0.31 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 3ism h LEU 225 Cb 0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3ism h LEU 225 CO -0.05 0.72 -0.66 -0.03 -0.34 0.00 0.00 178.44 178.08 3ism h MET 226 N 0.66 0.08 0.00 1.25 4.05 -0.26 -2.64 114.93 118.07 3ism h MET 226 Ca 0.13 -0.07 -0.14 0.00 -0.28 0.00 0.00 59.70 59.35 3ism h MET 226 Cb 0.39 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 3ism h MET 226 CO 0.01 0.71 -0.66 0.87 0.23 0.00 0.00 176.91 178.07 3ism h LYS 227 N 0.06 0.00 0.00 0.39 1.57 0.00 -2.56 116.57 116.03 3ism h LYS 227 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ism h LYS 227 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ism h LYS 227 CO 0.09 0.66 -0.00 0.00 -0.57 0.00 0.00 179.45 179.63 3ism h ARG 228 N 0.00 -0.00 0.00 3.15 3.08 -0.98 -3.41 114.38 116.22 3ism h ARG 228 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ism h ARG 228 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ism h ARG 228 CO 0.09 0.51 -2.01 1.19 -1.07 0.00 0.00 179.97 178.67 3ism n PHE 229 N -4.69 0.00 -3.88 3.04 3.72 -1.00 -5.11 117.46 109.54 3ism n PHE 229 Ca -0.05 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.01 3ism n PHE 229 Cb 0.24 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.13 3ism n PHE 229 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ism s VAL 230 N -3.48 2.94 0.00 -4.37 1.01 -0.96 -5.05 120.40 110.48 3ism s VAL 230 Ca -0.08 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.02 3ism s VAL 230 Cb 0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3ism s VAL 230 CO 0.91 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.56 3ism n ILE 234 N 4.53 -0.81 -2.58 2.22 3.06 -1.26 -4.96 119.36 119.56 3ism n ILE 234 Ca -0.05 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.79 3ism n ILE 234 Cb 0.42 -0.81 -0.03 0.00 0.54 0.00 0.00 39.64 39.76 3ism n ILE 234 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 3ism s ILE 235 N -0.26 3.87 -0.16 9.51 1.01 -1.26 -4.98 121.20 128.93 3ism s ILE 235 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 3ism s ILE 235 Cb 0.00 -4.97 -0.01 0.00 0.01 0.00 0.00 42.46 37.49 3ism s ILE 235 CO 0.00 -1.86 -0.10 -0.69 0.00 0.00 0.00 174.94 172.29 3ism s VAL 236 N 5.22 3.21 0.42 2.92 1.01 -1.26 -5.10 120.40 126.82 3ism s VAL 236 Ca 0.39 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 3ism s VAL 236 Cb -0.05 -2.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 3ism s VAL 236 CO 0.03 0.49 1.11 -2.65 0.00 0.00 0.00 175.10 174.08 3ism n PRO 237 N 3.90 1.56 -0.09 2.72 -0.02 -1.26 -4.77 135.00 137.04 3ism n PRO 237 Ca -0.18 0.56 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 3ism n PRO 237 Cb 0.52 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3ism n PRO 237 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3ism h ASP 238 N 1.75 -0.26 -0.32 2.55 -0.00 -1.98 -2.12 116.42 116.04 3ism h ASP 238 Ca -0.46 0.09 0.01 0.00 -0.00 0.00 0.00 57.03 56.67 3ism h ASP 238 Cb 1.32 0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 40.82 3ism h ASP 238 CO 0.58 -0.09 0.21 0.77 -0.00 0.00 0.00 179.24 180.71 3ism h SER 239 N 0.02 0.34 0.25 2.28 4.64 -1.98 0.87 113.55 119.97 3ism h SER 239 Ca 0.15 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3ism h SER 239 Cb 0.23 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3ism h SER 239 CO -0.31 0.24 -0.12 0.58 -0.87 0.00 0.00 176.83 176.35 3ism h VAL 240 N 0.39 0.75 -0.17 0.95 2.07 -1.80 -2.06 116.25 116.38 3ism h VAL 240 Ca 0.12 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3ism h VAL 240 Cb 0.00 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ism h VAL 240 CO -0.03 0.15 -0.04 -0.74 0.02 0.00 0.00 177.57 176.93 3ism h HIS 241 N -0.79 0.26 -0.40 1.57 6.17 -0.87 -0.86 115.15 120.23 3ism h HIS 241 Ca -0.03 -0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.07 3ism h HIS 241 Cb 0.51 -0.08 -0.04 0.00 2.52 0.00 0.00 27.41 30.32 3ism h HIS 241 CO 0.05 0.31 0.17 0.37 0.71 0.00 0.00 177.93 179.54 3ism h GLN 242 N 0.25 0.35 -0.41 5.26 5.75 0.75 -2.12 115.11 124.93 3ism h GLN 242 Ca 0.06 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 3ism h GLN 242 Cb 0.25 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3ism h GLN 242 CO 0.01 0.23 -0.16 0.00 -2.65 0.00 0.00 178.83 176.26 3ism h ALA 243 N 1.23 0.58 -0.07 3.38 0.00 -0.46 -0.29 119.26 123.63 3ism h ALA 243 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3ism h ALA 243 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ism h ALA 243 CO -0.15 0.51 -0.19 1.03 0.00 0.00 0.00 179.25 180.45 3ism h SER 244 N 0.66 0.11 -0.13 0.00 0.87 -1.20 0.71 113.55 114.57 3ism h SER 244 Ca 0.10 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 3ism h SER 244 Cb 0.72 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3ism h SER 244 CO 0.05 0.31 -0.55 0.58 -0.53 0.00 0.00 176.83 176.70 3ism h VAL 245 N 0.11 1.34 -0.87 2.23 2.07 -1.20 -3.25 116.25 116.68 3ism h VAL 245 Ca 0.02 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 3ism h VAL 245 Cb 0.41 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3ism h VAL 245 CO 0.03 0.56 0.47 0.11 0.02 0.00 0.00 177.57 178.76 3ism h LYS 246 N 0.24 1.21 -0.55 1.57 1.79 -0.50 -0.91 116.57 119.42 3ism h LYS 246 Ca -0.03 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3ism h LYS 246 Cb 1.18 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3ism h LYS 246 CO 0.11 0.89 0.24 0.87 -1.08 0.00 0.00 179.45 180.49 3ism h LYS 247 N 1.22 0.78 0.00 3.15 1.57 -0.95 0.47 116.57 122.82 3ism h LYS 247 Ca 0.30 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 3ism h LYS 247 Cb 0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3ism h LYS 247 CO -0.05 0.63 -1.03 0.82 -0.57 0.00 0.00 179.45 179.24 3ism h ILE 248 N 0.78 0.89 0.19 1.86 2.04 -1.55 -2.75 117.51 118.98 3ism h ILE 248 Ca 0.19 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 3ism h ILE 248 Cb 0.12 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3ism h ILE 248 CO -0.02 0.51 -0.09 0.00 0.00 0.00 0.00 178.15 178.54 3ism h ALA 249 N 1.33 -0.26 -0.78 1.87 0.00 -0.40 -1.85 119.26 119.17 3ism h ALA 249 Ca -0.09 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ism h ALA 249 Cb 1.59 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3ism h ALA 249 CO 0.07 -0.44 0.51 0.00 0.00 0.00 0.00 179.25 179.39 3ism h ALA 250 N 0.01 1.64 0.00 0.00 0.00 -0.19 -1.39 119.26 119.33 3ism h ALA 250 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ism h ALA 250 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ism h ALA 250 CO 0.04 0.24 -0.35 0.00 0.00 0.00 0.00 179.25 179.18 3ism h ALA 251 N 1.58 1.01 0.03 0.00 0.00 -1.48 -1.73 119.26 118.67 3ism h ALA 251 Ca 0.34 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3ism h ALA 251 Cb 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ism h ALA 251 CO -0.12 0.44 -0.77 0.00 0.00 0.00 0.00 179.25 178.81 3ism h ALA 252 N 1.65 0.05 -0.29 0.00 0.00 -0.54 -3.26 119.26 116.87 3ism h ALA 252 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 3ism h ALA 252 Cb 0.86 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ism h ALA 252 CO 0.05 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 3ism h ARG 253 N -0.01 0.46 0.07 0.00 3.08 -1.09 -2.87 114.38 114.02 3ism h ARG 253 Ca -0.10 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 59.60 3ism h ARG 253 Cb 1.48 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 3ism h ARG 253 CO 0.15 0.52 -1.12 0.93 -1.07 0.00 0.00 179.97 179.38 3ism h GLU 254 N 0.44 0.20 -0.06 0.04 4.39 -1.43 -2.80 114.58 115.36 3ism h GLU 254 Ca 0.09 -0.32 -0.22 0.00 0.34 0.00 0.00 59.36 59.26 3ism h GLU 254 Cb 0.35 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3ism h GLU 254 CO 0.01 1.13 -0.85 0.97 -1.16 0.00 0.00 179.01 179.11 3ism h ILE 255 N 0.07 1.35 -0.51 3.13 2.10 -1.59 -2.53 117.51 119.53 3ism h ILE 255 Ca -0.09 -2.22 0.05 0.00 1.08 0.00 0.00 64.86 63.68 3ism h ILE 255 Cb 1.84 2.22 -0.05 0.00 -1.09 0.00 0.00 36.82 39.74 3ism h ILE 255 CO 0.17 0.68 0.24 0.40 -1.08 0.00 0.00 178.15 178.56 3ism h ILE 256 N 0.33 0.91 -0.01 2.19 2.04 -1.56 0.33 117.51 121.75 3ism h ILE 256 Ca -0.06 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3ism h ILE 256 Cb 1.47 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3ism h ILE 256 CO 0.16 0.08 -0.22 -0.25 0.00 0.00 0.00 178.15 177.92 3ism h TRP 257 N 0.46 0.01 0.10 1.37 2.91 -1.50 -2.27 115.95 117.03 3ism h TRP 257 Ca 0.23 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 3ism h TRP 257 Cb 0.18 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3ism h TRP 257 CO -0.12 0.23 -0.05 0.87 -1.03 0.00 0.00 178.44 178.34 3ism h LYS 258 N 0.01 -0.13 -1.00 2.65 6.56 -0.82 -2.15 116.57 121.69 3ism h LYS 258 Ca 0.00 0.01 0.23 0.00 -1.06 0.00 0.00 60.65 59.83 3ism h LYS 258 Cb 0.39 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.99 3ism h LYS 258 CO 0.03 0.38 0.63 -0.07 -2.06 0.00 0.00 179.45 178.35 3ism h LEU 259 N -0.81 0.57 0.00 2.94 3.38 -0.25 -0.99 115.31 120.14 3ism h LEU 259 Ca -0.01 0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 3ism h LEU 259 Cb 0.57 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3ism h LEU 259 CO 0.02 0.17 -1.91 0.18 0.09 0.00 0.00 178.44 176.99 3ism n LEU 260 N -4.67 0.51 -0.12 1.67 4.77 -0.87 -4.59 117.00 113.70 3ism n LEU 260 Ca 0.24 0.24 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 3ism n LEU 260 Cb 0.73 0.26 0.05 0.00 -2.33 0.00 0.00 43.42 42.13 3ism n LEU 260 CO 0.24 0.36 0.43 0.49 -1.33 0.00 0.00 177.39 177.59 3ism n PHE 261 N -2.86 0.00 0.17 -1.77 3.72 -0.81 -4.22 117.46 111.69 3ism n PHE 261 Ca -0.20 -0.49 0.03 0.00 -0.05 0.00 0.00 57.45 56.73 3ism n PHE 261 Cb 1.02 -0.08 0.30 0.00 -0.94 0.00 0.00 39.48 39.78 3ism n PHE 261 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ism h ASP 262 N 0.00 0.00 0.00 4.37 3.32 -1.36 -3.48 116.42 119.27 3ism h ASP 262 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ism h ASP 262 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3ism h ASP 262 CO 0.00 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 3ism n GLY 263 N 0.12 2.43 3.54 2.75 0.00 -1.26 -5.09 105.19 107.68 3ism n GLY 263 Ca -0.01 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3ism n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ism s THR 264 N 0.97 5.11 0.26 2.61 2.01 -1.26 -4.97 115.64 120.36 3ism s THR 264 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 3ism s THR 264 Cb 0.00 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 3ism s THR 264 CO 0.00 -0.16 1.19 -2.16 -0.69 0.00 0.00 174.62 172.80 3ism s PRO 265 N 2.16 4.51 0.81 4.92 0.04 -1.26 -5.03 135.00 141.15 3ism s PRO 265 Ca 0.14 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 3ism s PRO 265 Cb -0.16 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.28 3ism s PRO 265 CO 0.12 -0.01 1.09 -1.54 0.04 0.00 0.00 177.00 176.70 3ism s SER 266 N -0.38 4.32 0.36 6.66 1.04 -1.26 -4.81 113.70 119.63 3ism s SER 266 Ca 0.49 1.50 0.06 0.00 0.48 0.00 0.00 55.95 58.47 3ism s SER 266 Cb -0.34 -2.23 0.74 0.00 0.10 0.00 0.00 66.02 64.28 3ism s SER 266 CO 0.42 -2.10 1.97 0.00 0.98 0.00 0.00 173.24 174.51 3ism h ALA 267 N -1.18 1.69 -0.38 5.32 0.00 -1.99 0.33 119.26 123.05 3ism h ALA 267 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3ism h ALA 267 Cb 1.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ism h ALA 267 CO 0.56 0.21 0.19 1.49 0.00 0.00 0.00 179.25 181.70 3ism h GLU 268 N 0.76 0.54 0.00 0.00 4.81 -1.99 -2.13 114.58 116.55 3ism h GLU 268 Ca 0.30 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3ism h GLU 268 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3ism h GLU 268 CO -0.09 0.46 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.93 3ism h ASP 269 N 0.47 0.00 0.34 1.04 5.19 -1.65 -1.77 116.42 120.04 3ism h ASP 269 Ca 0.13 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.38 3ism h ASP 269 Cb 0.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3ism h ASP 269 CO -0.02 0.28 -0.64 1.56 -3.12 0.00 0.00 179.24 177.30 3ism h GLN 270 N 0.00 0.28 -0.40 3.56 4.20 -0.92 -2.23 115.11 119.59 3ism h GLN 270 Ca -0.00 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.35 3ism h GLN 270 Cb 1.07 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3ism h GLN 270 CO 0.04 0.83 -0.35 -0.91 -0.67 0.00 0.00 178.83 177.76 3ism h ASN 271 N 0.20 1.00 0.63 1.46 2.35 -1.11 -2.60 115.58 117.52 3ism h ASN 271 Ca -0.01 -0.45 -0.10 0.00 -0.55 0.00 0.00 56.30 55.18 3ism h ASN 271 Cb 1.17 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3ism h ASN 271 CO 0.10 1.25 -0.49 0.11 -1.65 0.00 0.00 177.43 176.75 3ism h LYS 272 N 0.78 0.00 -0.03 0.81 1.57 -1.33 -0.53 116.57 117.84 3ism h LYS 272 Ca 0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3ism h LYS 272 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.26 3ism h LYS 272 CO 0.09 0.49 -0.46 0.00 -0.57 0.00 0.00 179.45 179.00 3ism h ALA 273 N 1.51 0.09 -0.25 3.86 0.00 -1.43 -2.92 119.26 120.13 3ism h ALA 273 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3ism h ALA 273 Cb 0.94 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ism h ALA 273 CO 0.06 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 3ism h ALA 274 N 0.35 1.39 0.43 0.00 0.00 -1.42 -1.16 119.26 118.86 3ism h ALA 274 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3ism h ALA 274 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ism h ALA 274 CO 0.09 0.42 -0.23 1.49 0.00 0.00 0.00 179.25 181.02 3ism h GLU 275 N 0.37 -0.59 -0.35 0.00 4.81 -1.13 -2.66 114.58 115.04 3ism h GLU 275 Ca 0.08 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 3ism h GLU 275 Cb 0.40 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3ism h GLU 275 CO 0.02 -0.40 -0.22 1.25 -0.73 0.00 0.00 179.01 178.94 3ism h LEU 276 N -0.62 0.80 -1.70 1.64 5.85 -1.41 -3.21 115.31 116.66 3ism h LEU 276 Ca -0.05 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3ism h LEU 276 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3ism h LEU 276 CO 0.08 1.05 0.04 0.25 -0.34 0.00 0.00 178.44 179.52 3ism h LEU 277 N 0.55 0.20 -0.26 2.25 5.85 -1.22 0.26 115.31 122.95 3ism h LEU 277 Ca 0.07 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 3ism h LEU 277 Cb 0.77 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3ism h LEU 277 CO 0.06 0.22 -0.55 -0.61 -0.34 0.00 0.00 178.44 177.22 3ism h GLN 278 N 0.23 0.82 -0.11 1.25 4.15 -1.49 -1.72 115.11 118.25 3ism h GLN 278 Ca 0.06 -0.54 -0.16 0.00 0.77 0.00 0.00 58.65 58.77 3ism h GLN 278 Cb 0.09 0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ism h GLN 278 CO -0.00 1.17 -0.56 1.49 -1.93 0.00 0.00 178.83 179.00 3ism h GLU 279 N 0.59 0.58 -0.71 1.69 4.57 -1.39 -2.25 114.58 117.66 3ism h GLU 279 Ca 0.00 -0.48 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 3ism h GLU 279 Cb 1.16 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 3ism h GLU 279 CO 0.12 1.10 0.36 -0.92 -1.18 0.00 0.00 179.01 178.49 3ism h TYR 280 N 0.21 1.00 -0.30 0.92 3.20 -0.59 -1.90 116.97 119.51 3ism h TYR 280 Ca -0.04 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.81 3ism h TYR 280 Cb 1.21 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3ism h TYR 280 CO 0.11 0.73 0.15 -0.22 -1.64 0.00 0.00 178.16 177.29 3ism h LYS 281 N 0.98 0.31 -0.47 1.82 3.64 -1.31 -0.29 116.57 121.26 3ism h LYS 281 Ca 0.24 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3ism h LYS 281 Cb 0.09 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 3ism h LYS 281 CO -0.03 0.21 0.13 0.78 -2.27 0.00 0.00 179.45 178.26 3ism h GLY 282 N 0.32 0.60 1.26 5.01 0.00 -1.11 0.11 103.07 109.27 3ism h GLY 282 Ca 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 3ism h GLY 282 CO -0.08 -0.03 -0.19 -0.55 0.00 0.00 0.00 176.54 175.69 3ism h ASP 283 N 0.28 0.86 -0.87 0.19 3.32 -1.19 -2.99 116.42 116.02 3ism h ASP 283 Ca 0.23 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ism h ASP 283 Cb 0.27 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3ism h ASP 283 CO -0.27 1.04 0.53 0.00 -1.72 0.00 0.00 179.24 178.81 3ism h ALA 284 N 1.03 1.28 0.00 3.45 0.00 -0.41 -0.96 119.26 123.65 3ism h ALA 284 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ism h ALA 284 Cb 0.72 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ism h ALA 284 CO 0.06 0.62 0.00 0.78 0.00 0.00 0.00 179.25 180.70 3ism h GLY 285 N 1.22 0.00 0.08 0.00 0.00 -0.84 0.49 103.07 104.02 3ism h GLY 285 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.25 3ism h GLY 285 CO -0.06 0.00 -2.32 0.33 0.00 0.00 0.00 176.54 174.49 3ism n PHE 286 N -3.02 0.27 0.87 5.60 -0.00 -0.86 -4.33 117.46 115.99 3ism n PHE 286 Ca -0.02 0.08 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 3ism n PHE 286 Cb 0.11 -1.03 0.46 0.00 -0.00 0.00 0.00 39.48 39.02 3ism n PHE 286 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3ism n TYR 287 N -3.74 0.27 0.00 -5.13 4.02 -0.42 -4.93 117.16 107.23 3ism n TYR 287 Ca -0.46 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 3ism n TYR 287 Cb 0.93 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3ism n TYR 287 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ism n GLY 288 N 1.44 2.50 0.72 2.72 0.00 0.07 -5.02 105.19 107.62 3ism n GLY 288 Ca 0.06 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.50 3ism n GLY 288 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ism n PRO 289 N 0.00 1.98 -0.28 1.61 -0.04 -0.66 -4.35 135.00 133.27 3ism n PRO 289 Ca 0.00 -1.18 -0.06 0.00 -0.04 0.00 0.00 63.50 62.22 3ism n PRO 289 Cb 0.00 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.11 3ism n PRO 289 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3ism h ASP 290 N 1.78 1.01 -0.45 3.54 3.58 -1.95 0.13 116.42 124.06 3ism h ASP 290 Ca 0.00 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 3ism h ASP 290 Cb 0.62 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 3ism h ASP 290 CO 0.06 0.88 0.03 0.44 -2.88 0.00 0.00 179.24 177.77 3ism h ASP 291 N 1.08 0.75 -0.54 2.28 5.19 -1.99 -2.83 116.42 120.36 3ism h ASP 291 Ca 0.26 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3ism h ASP 291 Cb 0.15 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 3ism h ASP 291 CO -0.03 0.85 0.34 0.22 -3.12 0.00 0.00 179.24 177.50 3ism h TYR 292 N 0.62 0.70 0.00 4.55 3.20 -1.75 -1.46 116.97 122.84 3ism h TYR 292 Ca 0.13 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3ism h TYR 292 Cb 0.45 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3ism h TYR 292 CO 0.03 0.47 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.85 3ism h ASN 293 N 0.73 0.00 0.01 -2.11 2.35 -0.69 0.71 115.58 116.58 3ism h ASN 293 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3ism h ASN 293 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ism h ASN 293 CO -0.04 0.26 -0.00 0.28 -1.65 0.00 0.00 177.43 176.28 3ism h SER 294 N 0.00 -0.01 0.05 5.81 0.02 -1.32 -3.39 113.55 114.71 3ism h SER 294 Ca -0.00 -0.82 -0.13 0.00 -0.84 0.00 0.00 61.79 60.00 3ism h SER 294 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3ism h SER 294 CO 0.03 0.86 -0.43 -0.25 -1.14 0.00 0.00 176.83 175.91 3ism h TRP 295 N -0.93 0.55 -0.00 3.45 7.01 -1.08 -3.11 115.95 121.83 3ism h TRP 295 Ca -0.00 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.83 3ism h TRP 295 Cb 0.83 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 3ism h TRP 295 CO 0.22 0.82 -0.02 0.97 -2.79 0.00 0.00 178.44 177.64 3ism h ILE 296 N 0.38 1.02 -0.60 2.65 6.09 -1.05 0.24 117.51 126.24 3ism h ILE 296 Ca 0.03 -0.08 -0.10 0.00 -1.37 0.00 0.00 64.86 63.34 3ism h ILE 296 Cb 0.91 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 3ism h ILE 296 CO 0.08 0.02 -0.01 -0.26 -3.07 0.00 0.00 178.15 174.91 3ism h PHE 297 N 0.00 1.16 -0.56 2.19 0.04 -1.73 -1.29 116.94 116.76 3ism h PHE 297 Ca 0.00 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 3ism h PHE 297 Cb 0.04 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3ism h PHE 297 CO 0.00 1.03 0.20 -0.91 -0.60 0.00 0.00 178.31 178.03 3ism h ASN 298 N 0.96 0.78 -0.35 2.17 -0.26 -1.08 -2.14 115.58 115.66 3ism h ASN 298 Ca 0.17 -0.18 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 3ism h ASN 298 Cb 0.57 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 3ism h ASN 298 CO 0.03 0.76 0.12 0.25 -1.06 0.00 0.00 177.43 177.53 3ism h LEU 299 N 0.77 0.51 -0.41 1.61 5.85 -1.11 -2.19 115.31 120.34 3ism h LEU 299 Ca 0.18 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3ism h LEU 299 Cb 0.23 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3ism h LEU 299 CO -0.01 0.57 0.13 -0.09 -0.34 0.00 0.00 178.44 178.70 3ism h ARG 300 N 0.42 0.28 -0.45 1.25 2.43 -1.19 0.13 114.38 117.25 3ism h ARG 300 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3ism h ARG 300 Cb 0.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3ism h ARG 300 CO -0.01 0.18 0.20 -0.44 -1.51 0.00 0.00 179.97 178.40 3ism h ASP 301 N 0.29 0.57 0.54 -3.80 5.19 -1.29 -0.53 116.42 117.38 3ism h ASP 301 Ca 0.19 -0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.33 3ism h ASP 301 Cb 0.18 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3ism h ASP 301 CO -0.20 0.50 -0.93 -0.08 -3.12 0.00 0.00 179.24 175.41 3ism h GLU 302 N 0.64 0.25 -0.65 3.56 4.57 -0.92 -1.13 114.58 120.89 3ism h GLU 302 Ca 0.16 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3ism h GLU 302 Cb 0.09 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3ism h GLU 302 CO -0.02 1.01 0.35 0.28 -1.18 0.00 0.00 179.01 179.46 3ism h VAL 303 N 0.13 1.21 0.00 0.32 2.07 -0.20 -1.76 116.25 118.02 3ism h VAL 303 Ca -0.06 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 3ism h VAL 303 Cb 1.57 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3ism h VAL 303 CO 0.15 0.23 -0.60 -0.07 0.02 0.00 0.00 177.57 177.29 3ism h LEU 304 N 0.89 0.00 -0.13 2.57 3.38 -1.11 0.17 115.31 121.08 3ism h LEU 304 Ca 0.23 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 3ism h LEU 304 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ism h LEU 304 CO -0.04 0.60 -0.90 0.74 0.09 0.00 0.00 178.44 178.94 3ism h THR 305 N 0.00 1.30 -0.00 0.22 2.02 -1.09 -3.16 112.91 112.21 3ism h THR 305 Ca -0.01 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.01 3ism h THR 305 Cb 1.29 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 3ism h THR 305 CO 0.08 0.67 -0.00 0.29 0.37 0.00 0.00 175.52 176.92 3ism n LYS 306 N -3.87 0.95 -3.59 6.66 4.76 -0.67 -4.92 118.16 117.48 3ism n LYS 306 Ca -0.08 -0.06 -0.24 0.00 -2.87 0.00 0.00 58.31 55.06 3ism n LYS 306 Cb 0.81 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.58 3ism n LYS 306 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3ism n GLU 307 N -0.97 -7.95 -1.71 1.97 1.02 -0.91 -4.91 120.64 107.19 3ism n GLU 307 Ca 0.22 0.82 -0.40 0.00 -0.02 0.00 0.00 57.16 57.79 3ism n GLU 307 Cb 0.15 -5.86 -0.01 0.00 -0.02 0.00 0.00 31.44 25.69 3ism n GLU 307 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ism n LEU 308 N -4.98 8.23 -0.26 -4.62 4.77 0.55 -4.71 117.00 115.96 3ism n LEU 308 Ca 0.01 -4.62 -0.01 0.00 -0.03 0.00 0.00 56.01 51.36 3ism n LEU 308 Cb 0.56 -1.47 0.19 0.00 -2.33 0.00 0.00 43.42 40.37 3ism n LEU 308 CO 0.64 1.98 1.23 -0.07 -1.33 0.00 0.00 177.39 179.85 3ism h LEU 309 N 6.54 0.96 -0.72 2.23 4.07 -1.91 -0.43 115.31 126.05 3ism h LEU 309 Ca 0.75 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.66 3ism h LEU 309 Cb 0.33 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3ism h LEU 309 CO 1.64 0.72 0.42 0.44 -1.08 0.00 0.00 178.44 180.58 3ism h ASP 310 N 1.12 0.88 -0.24 -0.43 3.45 -1.98 -1.11 116.42 118.11 3ism h ASP 310 Ca 0.30 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 3ism h ASP 310 Cb -0.08 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.46 3ism h ASP 310 CO -0.06 0.71 -0.04 0.15 -1.57 0.00 0.00 179.24 178.43 3ism h PHE 311 N 0.99 0.50 0.41 4.55 3.57 -1.72 -2.29 116.94 122.95 3ism h PHE 311 Ca 0.26 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3ism h PHE 311 Cb 0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3ism h PHE 311 CO -0.01 0.66 -0.31 2.35 -2.23 0.00 0.00 178.31 178.77 3ism h TRP 312 N 0.20 -0.84 -0.04 0.41 -0.00 -0.86 -1.54 115.95 113.28 3ism h TRP 312 Ca 0.06 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 3ism h TRP 312 Cb 0.49 0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 29.96 3ism h TRP 312 CO 0.05 -0.46 -0.04 0.00 -0.00 0.00 0.00 178.44 177.99 3ism h ARG 313 N -0.72 0.10 0.00 2.65 3.08 -1.27 0.14 114.38 118.35 3ism h ARG 313 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3ism h ARG 313 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3ism h ARG 313 CO -0.00 0.54 -0.69 -0.44 -1.07 0.00 0.00 179.97 178.31 3ism h ASP 314 N -0.34 0.00 0.00 7.04 3.32 -1.50 -1.74 116.42 123.20 3ism h ASP 314 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ism h ASP 314 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3ism h ASP 314 CO 0.01 0.00 -0.17 0.29 -1.72 0.00 0.00 179.24 177.65 3ism n LYS 315 N -2.80 0.09 -0.19 3.56 4.76 -0.64 -4.26 118.16 118.69 3ism n LYS 315 Ca 0.01 0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 3ism n LYS 315 Cb 0.54 -0.49 0.01 0.00 -1.84 0.00 0.00 35.03 33.25 3ism n LYS 315 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 3ism h MET 316 N -0.17 1.04 0.00 1.97 2.86 -1.02 -1.91 114.93 117.70 3ism h MET 316 Ca 0.00 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3ism h MET 316 Cb 0.17 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3ism h MET 316 CO 0.00 1.07 -0.00 0.28 1.06 0.00 0.00 176.91 179.31 3ism h VAL 317 N 0.92 0.00 -0.71 -2.22 2.07 -0.87 -0.50 116.25 114.94 3ism h VAL 317 Ca 0.15 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3ism h VAL 317 Cb 0.65 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3ism h VAL 317 CO 0.05 0.00 0.42 0.50 0.02 0.00 0.00 177.57 178.55 3ism h LYS 318 N -0.98 0.76 -0.51 1.57 3.64 -1.41 -1.64 116.57 118.00 3ism h LYS 318 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ism h LYS 318 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3ism h LYS 318 CO 0.00 0.50 0.00 -1.33 -2.27 0.00 0.00 179.45 176.35 3ism n MET 319 N -4.72 2.26 -3.54 1.90 2.81 -0.72 -4.96 117.12 110.15 3ism n MET 319 Ca 0.09 -1.73 -0.22 0.00 -1.81 0.00 0.00 57.70 54.02 3ism n MET 319 Cb 0.15 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.27 3ism n MET 319 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3ism n GLU 320 N 0.82 -3.00 -0.88 0.03 2.13 -0.62 -4.89 120.64 114.22 3ism n GLU 320 Ca 0.16 0.66 -0.01 0.00 0.66 0.00 0.00 57.16 58.63 3ism n GLU 320 Cb 0.45 -5.08 0.31 0.00 0.27 0.00 0.00 31.44 27.39 3ism n GLU 320 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ism n LEU 321 N -3.92 5.53 0.00 4.31 4.77 -0.20 -4.92 117.00 122.57 3ism n LEU 321 Ca -0.16 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 3ism n LEU 321 Cb 0.63 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3ism n LEU 321 CO 0.65 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3ism n GLY 322 N 0.17 -1.05 3.52 -0.72 0.00 -1.26 -4.98 105.19 100.87 3ism n GLY 322 Ca 0.32 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3ism n GLY 322 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ism n PRO 323 N -0.44 0.91 -2.17 1.61 -0.02 -1.26 -4.94 135.00 128.70 3ism n PRO 323 Ca 0.00 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 3ism n PRO 323 Cb 0.00 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 3ism n PRO 323 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ism s SER 324 N -0.81 6.23 0.22 2.55 0.15 -1.26 -4.94 113.70 115.83 3ism s SER 324 Ca 0.62 2.46 -0.03 0.00 0.70 0.00 0.00 55.95 59.70 3ism s SER 324 Cb -0.64 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.07 3ism s SER 324 CO 0.58 -0.89 0.34 0.00 1.20 0.00 0.00 173.24 174.47 3ism n ALA 326 N -1.61 1.12 0.09 0.00 0.00 -1.26 -0.43 120.51 118.43 3ism n ALA 326 Ca -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 3ism n ALA 326 Cb 0.35 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.72 3ism n ALA 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ism h ARG 327 N 0.00 0.05 0.00 0.00 3.08 -1.95 -3.38 114.38 112.17 3ism h ARG 327 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ism h ARG 327 Cb 0.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ism h ARG 327 CO 0.00 0.85 -0.33 -0.40 -1.07 0.00 0.00 179.97 179.02 3ism n ASP 328 N -3.59 1.63 -3.86 7.04 5.75 0.43 -5.10 116.55 118.85 3ism n ASP 328 Ca -0.01 -0.34 -0.11 0.00 -0.01 0.00 0.00 54.79 54.31 3ism n ASP 328 Cb 0.79 1.00 -0.10 0.00 -1.03 0.00 0.00 41.12 41.78 3ism n ASP 328 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ism s SER 329 N -1.34 -0.01 0.00 -1.12 0.15 -0.01 -4.92 113.70 106.45 3ism s SER 329 Ca 0.00 -0.13 0.16 0.00 0.70 0.00 0.00 55.95 56.68 3ism s SER 329 Cb 0.00 0.23 0.72 0.00 -1.71 0.00 0.00 66.02 65.26 3ism s SER 329 CO 0.00 -0.35 1.50 -0.90 1.20 0.00 0.00 173.24 174.70 3ism n ASP 330 N 1.58 0.93 0.00 5.45 3.85 -1.26 -3.17 116.55 123.93 3ism n ASP 330 Ca -0.22 -1.68 0.12 0.00 -0.71 0.00 0.00 54.79 52.30 3ism n ASP 330 Cb 0.56 -0.07 0.57 0.00 -1.35 0.00 0.00 41.12 40.82 3ism n ASP 330 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3ism n TYR 331 N -0.13 0.00 -4.17 2.11 4.01 -1.26 -4.89 117.16 112.83 3ism n TYR 331 Ca 0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.76 3ism n TYR 331 Cb 0.20 -0.38 -0.10 0.00 -0.31 0.00 0.00 39.34 38.74 3ism n TYR 331 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3ism s TYR 332 N -2.76 0.87 0.00 -0.72 1.51 -1.19 -5.03 117.35 110.04 3ism s TYR 332 Ca 0.18 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 3ism s TYR 332 Cb 0.16 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.50 3ism s TYR 332 CO 0.40 -0.18 0.00 -0.40 -1.11 0.00 0.00 175.55 174.26 3ism n ASP 333 N -0.04 0.03 -0.21 2.29 5.68 -1.26 -4.68 116.55 118.37 3ism n ASP 333 Ca -0.12 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.16 3ism n ASP 333 Cb 0.61 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.65 3ism n ASP 333 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3ism h ASN 334 N 0.00 -0.64 0.65 -1.12 4.21 -2.01 -2.58 115.58 114.10 3ism h ASN 334 Ca 0.00 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3ism h ASN 334 Cb 0.00 0.40 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3ism h ASN 334 CO 0.00 -0.22 0.00 -0.33 -1.29 0.00 0.00 177.43 175.59 3ism h GLU 335 N -0.02 0.00 -6.88 0.81 5.08 -2.05 -3.44 114.58 108.08 3ism h GLU 335 Ca 0.29 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.13 3ism h GLU 335 Cb 0.47 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.78 3ism h GLU 335 CO -0.64 0.00 0.62 -0.51 -1.00 0.00 0.00 179.01 177.48 3ism s ASP 336 N -5.36 6.78 0.05 1.42 1.01 -0.97 -4.98 116.67 114.61 3ism s ASP 336 Ca -0.01 2.66 -0.31 0.00 0.71 0.00 0.00 52.55 55.60 3ism s ASP 336 Cb 0.10 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3ism s ASP 336 CO 0.48 -0.53 1.19 -2.16 0.21 0.00 0.00 175.17 174.36 3ism s PRO 337 N -1.80 4.43 0.55 8.23 0.04 -1.26 -4.97 135.00 140.22 3ism s PRO 337 Ca 0.49 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 3ism s PRO 337 Cb -0.39 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 3ism s PRO 337 CO 0.52 -0.26 1.07 -0.51 0.04 0.00 0.00 177.00 177.85 3ism s LEU 338 N 1.14 3.66 -1.35 -3.56 1.43 -1.26 -4.95 118.68 113.80 3ism s LEU 338 Ca 0.58 1.94 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 3ism s LEU 338 Cb -0.29 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.48 3ism s LEU 338 CO 0.29 -1.07 2.40 -0.81 0.23 0.00 0.00 176.35 177.38 3ism n PRO 339 N -1.54 4.44 -0.25 1.29 -0.04 -1.26 -4.66 135.00 132.98 3ism n PRO 339 Ca 0.10 -3.35 -0.06 0.00 -0.04 0.00 0.00 63.50 60.15 3ism n PRO 339 Cb 0.52 -2.67 0.05 0.00 -0.04 0.00 0.00 33.50 31.36 3ism n PRO 339 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3ism h PHE 340 N 4.73 0.99 -0.33 0.54 0.04 -1.99 -3.20 116.94 117.73 3ism h PHE 340 Ca 0.70 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 61.41 3ism h PHE 340 Cb 0.33 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3ism h PHE 340 CO 1.60 0.72 0.14 0.93 -0.60 0.00 0.00 178.31 181.11 3ism h GLU 341 N 0.98 0.45 -0.91 1.51 3.07 -1.97 -2.63 114.58 115.08 3ism h GLU 341 Ca 0.24 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.12 3ism h GLU 341 Cb 0.08 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.84 3ism h GLU 341 CO -0.03 0.37 0.57 0.35 -1.40 0.00 0.00 179.01 178.87 3ism h PHE 342 N 0.45 1.06 0.00 4.33 3.57 -1.95 -2.71 116.94 121.69 3ism h PHE 342 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ism h PHE 342 Cb 0.08 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.47 3ism h PHE 342 CO 0.00 0.54 -0.33 1.88 -2.23 0.00 0.00 178.31 178.18 3ism h TYR 343 N 1.04 0.00 0.00 0.41 -1.99 -1.64 -3.40 116.97 111.39 3ism h TYR 343 Ca 0.40 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.57 3ism h TYR 343 Cb 0.17 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.92 3ism h TYR 343 CO -0.02 0.00 3.21 0.39 -0.00 0.00 0.00 178.16 181.74 3ism n GLU 344 N -2.64 2.85 -3.97 4.88 1.02 -1.02 -3.95 120.64 117.81 3ism n GLU 344 Ca 0.03 -1.92 -0.09 0.00 -0.02 0.00 0.00 57.16 55.16 3ism n GLU 344 Cb 0.49 -2.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.10 3ism n GLU 344 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ism s LYS 345 N 2.94 0.44 -1.32 3.49 1.02 -1.25 -4.85 119.74 120.20 3ism s LYS 345 Ca 0.55 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 3ism s LYS 345 Cb 0.14 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.63 3ism s LYS 345 CO -0.04 -0.09 0.15 0.00 -0.92 0.00 0.00 175.35 174.46 3ism n ALA 346 N 1.15 -0.81 -0.17 5.17 0.00 -1.26 -1.66 120.51 122.92 3ism n ALA 346 Ca -0.21 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ism n ALA 346 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3ism n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ism n GLY 347 N -1.00 1.98 3.82 0.00 0.00 -1.26 -5.04 105.19 103.69 3ism n GLY 347 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3ism n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ism s LYS 349 N -5.25 1.16 0.25 0.00 1.02 -1.25 -3.84 119.74 111.83 3ism s LYS 349 Ca 0.61 -1.54 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 3ism s LYS 349 Cb -0.13 -0.53 -0.12 0.00 -0.52 0.00 0.00 37.83 36.53 3ism s LYS 349 CO 0.53 -0.03 1.66 0.00 -0.92 0.00 0.00 175.35 176.59 3ism s ALA 350 N -3.44 3.84 -1.75 5.17 0.00 -1.26 -4.85 121.76 119.48 3ism s ALA 350 Ca 0.22 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.78 3ism s ALA 350 Cb 0.04 -3.67 0.07 0.00 0.00 0.00 0.00 23.12 19.56 3ism s ALA 350 CO 0.04 -0.96 0.68 -0.35 0.00 0.00 0.00 175.76 175.17 3ism n PRO 351 N 3.04 0.03 -4.92 0.00 -0.04 -1.26 -4.72 135.00 127.12 3ism n PRO 351 Ca 0.12 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 3ism n PRO 351 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 3ism n PRO 351 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ism s PHE 352 N -2.25 2.69 0.00 0.54 -0.71 -1.26 -5.11 117.98 111.88 3ism s PHE 352 Ca 0.01 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 3ism s PHE 352 Cb 0.01 -1.67 0.00 0.00 -1.21 0.00 0.00 43.02 40.15 3ism s PHE 352 CO 0.02 0.05 0.00 0.39 -1.34 0.00 0.00 175.22 174.34