#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hum s ASN 26 N 0.00 2.91 0.97 3.42 0.02 -1.26 -4.85 114.94 116.15 3hum s ASN 26 Ca 0.00 1.86 -0.12 0.00 -1.02 0.00 0.00 52.86 53.57 3hum s ASN 26 Cb 0.00 -2.43 0.17 0.00 0.02 0.00 0.00 41.25 39.01 3hum s ASN 26 CO 0.00 -3.05 1.10 -0.44 0.02 0.00 0.00 177.10 174.73 3hum s SER 27 N -2.92 2.87 0.00 -1.22 0.01 -0.41 -4.94 113.70 107.09 3hum s SER 27 Ca 0.65 1.16 0.14 0.00 1.31 0.00 0.00 55.95 59.21 3hum s SER 27 Cb -0.21 -1.82 0.46 0.00 0.21 0.00 0.00 66.02 64.66 3hum s SER 27 CO 0.59 -2.97 1.35 -0.90 0.41 0.00 0.00 173.24 171.71 3hum n ASP 28 N -4.07 1.67 -3.92 2.44 3.85 -1.26 -4.65 116.55 110.62 3hum n ASP 28 Ca 0.06 -1.89 -0.20 0.00 -0.71 0.00 0.00 54.79 52.05 3hum n ASP 28 Cb 0.57 -0.18 -0.16 0.00 -1.35 0.00 0.00 41.12 40.01 3hum n ASP 28 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3hum s VAL 29 N -1.65 0.59 0.86 2.12 -7.23 -1.26 -5.09 120.40 108.73 3hum s VAL 29 Ca 0.25 -0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.14 3hum s VAL 29 Cb 0.13 -0.59 0.11 0.00 0.56 0.00 0.00 36.38 36.59 3hum s VAL 29 CO 0.19 0.23 1.10 0.42 -0.31 0.00 0.00 175.10 176.72 3hum s THR 30 N 0.76 2.86 0.23 5.32 -4.23 -1.26 -4.78 115.64 114.53 3hum s THR 30 Ca -0.11 0.28 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 3hum s THR 30 Cb -0.13 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 71.22 3hum s THR 30 CO 0.01 -0.36 1.70 -0.65 -0.54 0.00 0.00 174.62 174.77 3hum h PRO 31 N -1.45 0.29 -0.38 3.99 0.11 -1.96 0.24 132.00 132.83 3hum h PRO 31 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3hum h PRO 31 Cb 1.26 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hum h PRO 31 CO 0.51 0.19 -0.02 0.28 -0.21 0.00 0.00 178.00 178.76 3hum h VAL 32 N 0.30 1.22 -0.22 3.15 2.07 -1.94 -0.82 116.25 120.02 3hum h VAL 32 Ca 0.37 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3hum h VAL 32 Cb 0.59 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3hum h VAL 32 CO -0.45 0.31 -0.24 1.56 0.02 0.00 0.00 177.57 178.77 3hum h GLN 33 N 0.58 0.55 -0.56 1.57 4.20 -1.56 -0.47 115.11 119.42 3hum h GLN 33 Ca 0.12 -0.30 0.07 0.00 0.06 0.00 0.00 58.65 58.60 3hum h GLN 33 Cb 0.40 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3hum h GLN 33 CO 0.02 0.89 0.22 0.00 -0.67 0.00 0.00 178.83 179.29 3hum h ALA 34 N 0.65 0.70 -0.32 3.87 0.00 -0.36 -0.39 119.26 123.41 3hum h ALA 34 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hum h ALA 34 Cb 0.80 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3hum h ALA 34 CO 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3hum h ALA 35 N 1.36 0.29 -0.89 0.00 0.00 -0.76 0.12 119.26 119.38 3hum h ALA 35 Ca 0.27 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.41 3hum h ALA 35 Cb 0.28 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3hum h ALA 35 CO -0.25 -0.40 0.50 -0.91 0.00 0.00 0.00 179.25 178.18 3hum h ASN 36 N 0.10 0.64 1.17 0.00 4.21 -0.36 0.13 115.58 121.47 3hum h ASN 36 Ca 0.16 0.08 -0.14 0.00 1.21 0.00 0.00 56.30 57.60 3hum h ASN 36 Cb 0.21 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 3hum h ASN 36 CO -0.26 0.28 -0.87 1.56 -1.29 0.00 0.00 177.43 176.85 3hum h GLN 37 N 0.71 0.00 -2.40 0.81 4.20 0.60 -3.25 115.11 115.78 3hum h GLN 37 Ca 0.48 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.48 3hum h GLN 37 Cb 0.64 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.08 3hum h GLN 37 CO -0.34 0.51 0.19 0.66 -0.67 0.00 0.00 178.83 179.18 3hum n TYR 38 N -3.14 3.18 -0.04 2.96 4.02 0.26 -4.86 117.16 119.54 3hum n TYR 38 Ca -0.02 -3.28 0.00 0.00 -0.01 0.00 0.00 57.90 54.59 3hum n TYR 38 Cb 0.80 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 3hum n TYR 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hum n GLY 39 N 0.38 1.28 2.56 2.72 0.00 -1.24 -4.66 105.19 106.23 3hum n GLY 39 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 3hum n GLY 39 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hum n TYR 40 N -2.00 2.36 -1.69 1.61 4.02 0.45 -5.04 117.16 116.87 3hum n TYR 40 Ca 0.00 -2.98 -0.43 0.00 -0.01 0.00 0.00 57.90 54.49 3hum n TYR 40 Cb 0.00 -0.22 -0.01 0.00 -0.02 0.00 0.00 39.34 39.09 3hum n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hum n ALA 41 N -0.28 1.21 0.00 -0.72 0.00 -1.23 -2.07 120.51 117.42 3hum n ALA 41 Ca 0.25 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3hum n ALA 41 Cb 0.73 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3hum n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hum n GLY 42 N 0.82 2.60 3.70 0.00 0.00 -1.26 -5.00 105.19 106.05 3hum n GLY 42 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hum n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hum s LEU 43 N 0.00 4.32 0.43 0.99 2.96 -0.88 -5.03 118.68 121.47 3hum s LEU 43 Ca 0.00 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 3hum s LEU 43 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3hum s LEU 43 CO 0.00 -0.43 0.64 -0.94 -1.32 0.00 0.00 176.35 174.30 3hum s SER 44 N 1.16 5.94 0.18 3.68 1.04 -1.26 -4.87 113.70 119.57 3hum s SER 44 Ca 0.53 0.32 0.15 0.00 0.48 0.00 0.00 55.95 57.44 3hum s SER 44 Cb -0.23 -1.64 0.75 0.00 0.10 0.00 0.00 66.02 64.99 3hum s SER 44 CO 0.24 -0.61 1.48 0.00 0.98 0.00 0.00 173.24 175.33 3hum n ALA 45 N -2.01 1.27 0.38 5.32 0.00 -1.26 -2.35 120.51 121.86 3hum n ALA 45 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.66 3hum n ALA 45 Cb 0.57 -1.24 0.48 0.00 0.00 0.00 0.00 19.45 19.26 3hum n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hum h ALA 46 N 2.14 1.00 -0.02 0.00 0.00 -2.02 -2.55 119.26 117.81 3hum h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hum h ALA 46 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hum h ALA 46 CO 0.00 0.00 -0.29 0.66 0.00 0.00 0.00 179.25 179.62 3hum n TYR 47 N -2.62 0.00 -1.53 0.00 4.01 -0.99 -4.59 117.16 111.43 3hum n TYR 47 Ca 0.03 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.22 3hum n TYR 47 Cb 0.34 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 3hum n TYR 47 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3hum n GLU 48 N -0.00 0.51 -2.68 -0.72 4.07 -0.97 -1.92 120.64 118.94 3hum n GLU 48 Ca 0.12 0.18 -0.25 0.00 -0.06 0.00 0.00 57.16 57.15 3hum n GLU 48 Cb 0.44 -1.69 0.02 0.00 -0.06 0.00 0.00 31.44 30.14 3hum n GLU 48 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3hum s PRO 49 N 0.03 3.06 0.18 5.31 0.04 -1.26 -4.27 135.00 138.09 3hum s PRO 49 Ca 0.85 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 3hum s PRO 49 Cb -1.09 -2.41 0.17 0.00 0.04 0.00 0.00 34.50 31.21 3hum s PRO 49 CO 0.53 -0.45 1.68 1.15 0.04 0.00 0.00 177.00 179.95 3hum h THR 50 N 0.12 0.61 -3.33 1.26 2.02 -0.93 -3.47 112.91 109.20 3hum h THR 50 Ca -0.46 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3hum h THR 50 Cb 1.25 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3hum h THR 50 CO 0.59 0.02 0.07 -0.94 0.37 0.00 0.00 175.52 175.63 3hum s SER 51 N -5.25 -0.08 -0.12 4.18 1.04 -0.38 -4.69 113.70 108.41 3hum s SER 51 Ca -0.14 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.13 3hum s SER 51 Cb 0.16 0.69 0.11 0.00 0.10 0.00 0.00 66.02 67.07 3hum s SER 51 CO 0.72 -1.31 0.88 0.00 0.98 0.00 0.00 173.24 174.51 3hum s ALA 52 N -3.68 -1.87 -0.20 5.32 0.00 -0.34 -1.76 121.76 119.23 3hum s ALA 52 Ca 0.17 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 3hum s ALA 52 Cb -0.03 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3hum s ALA 52 CO 0.09 -0.33 0.50 0.54 0.00 0.00 0.00 175.76 176.56 3hum s VAL 53 N -1.16 -0.01 -0.10 0.00 0.11 -0.12 -1.01 120.40 118.10 3hum s VAL 53 Ca -0.05 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3hum s VAL 53 Cb -0.00 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 3hum s VAL 53 CO 0.05 0.02 -0.16 0.20 -3.33 0.00 0.00 175.10 171.88 3hum s ASN 54 N 1.22 3.78 -0.03 3.54 0.02 -0.83 -0.94 114.94 121.70 3hum s ASN 54 Ca -0.08 -0.36 0.03 0.00 -1.02 0.00 0.00 52.86 51.43 3hum s ASN 54 Cb -0.07 -1.38 0.00 0.00 0.02 0.00 0.00 41.25 39.83 3hum s ASN 54 CO -0.12 0.20 -0.11 0.54 0.02 0.00 0.00 177.10 177.63 3hum s VAL 55 N 0.12 0.97 0.84 1.60 0.11 0.10 -0.09 120.40 124.05 3hum s VAL 55 Ca -0.08 -0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 3hum s VAL 55 Cb -0.15 -0.85 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 3hum s VAL 55 CO 0.05 0.29 1.09 -0.94 -3.33 0.00 0.00 175.10 172.27 3hum s SER 56 N 0.16 3.86 0.44 3.54 1.04 -0.44 -0.47 113.70 121.82 3hum s SER 56 Ca -0.04 1.71 0.30 0.00 0.48 0.00 0.00 55.95 58.40 3hum s SER 56 Cb -0.10 -2.37 1.43 0.00 0.10 0.00 0.00 66.02 65.08 3hum s SER 56 CO 0.01 -2.43 1.91 -0.61 0.98 0.00 0.00 173.24 173.11 3hum h GLN 57 N -1.40 0.00 0.00 4.02 5.75 -1.41 0.48 115.11 122.54 3hum h GLN 57 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3hum h GLN 57 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 3hum h GLN 57 CO 0.52 0.00 0.00 0.25 -2.65 0.00 0.00 178.83 176.95 3hum n THR 58 N -2.65 0.10 -0.49 2.39 -2.24 -1.26 -4.92 114.28 105.22 3hum n THR 58 Ca -0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3hum n THR 58 Cb 0.17 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3hum n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hum n GLY 59 N 1.00 0.75 3.68 3.38 0.00 0.17 -4.45 105.19 109.71 3hum n GLY 59 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hum n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hum s GLN 60 N -0.51 4.35 0.14 1.61 0.74 -1.26 -0.04 119.66 124.69 3hum s GLN 60 Ca 0.00 1.16 -0.31 0.00 0.05 0.00 0.00 55.36 56.26 3hum s GLN 60 Cb 0.00 -3.56 -0.09 0.00 1.10 0.00 0.00 33.01 30.45 3hum s GLN 60 CO 0.00 -0.32 1.54 -0.51 -0.55 0.00 0.00 175.29 175.44 3hum s LEU 61 N 2.10 4.37 -0.00 3.68 1.43 0.56 -1.33 118.68 129.48 3hum s LEU 61 Ca 0.42 2.54 0.04 0.00 -1.03 0.00 0.00 54.13 56.10 3hum s LEU 61 Cb -0.17 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3hum s LEU 61 CO 0.14 -0.79 0.12 0.18 0.23 0.00 0.00 176.35 176.23 3hum n LEU 62 N 4.12 0.07 -3.67 1.79 4.77 0.87 -4.72 117.00 120.23 3hum n LEU 62 Ca 0.13 -0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3hum n LEU 62 Cb 0.39 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 3hum n LEU 62 CO 0.61 0.02 0.22 -0.47 -1.33 0.00 0.00 177.39 176.44 3hum s TYR 63 N -1.88 -0.81 -0.02 -1.77 5.04 -0.91 -4.91 117.35 112.09 3hum s TYR 63 Ca -0.00 1.70 0.02 0.00 -2.44 0.00 0.00 57.07 56.35 3hum s TYR 63 Cb 0.03 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.76 3hum s TYR 63 CO 0.16 -0.42 -0.07 1.14 -1.34 0.00 0.00 175.55 175.02 3hum s GLN 64 N 1.32 0.74 -0.23 4.97 -2.07 -1.26 -1.97 119.66 121.16 3hum s GLN 64 Ca -0.08 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.17 3hum s GLN 64 Cb -0.06 -0.71 0.10 0.00 -1.09 0.00 0.00 33.01 31.25 3hum s GLN 64 CO -0.14 0.11 0.24 -0.47 -1.32 0.00 0.00 175.29 173.71 3hum s TYR 65 N 0.10 -0.30 -1.52 9.60 5.04 -0.18 -1.29 117.35 128.79 3hum s TYR 65 Ca -0.01 0.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.57 3hum s TYR 65 Cb -0.06 -0.40 0.10 0.00 0.35 0.00 0.00 41.96 41.95 3hum s TYR 65 CO -0.00 -0.69 0.79 0.09 -1.34 0.00 0.00 175.55 174.40 3hum n ASN 66 N 5.31 -4.19 0.07 4.32 3.02 -1.26 -1.19 115.26 121.34 3hum n ASN 66 Ca -0.05 -0.72 0.09 0.00 -0.03 0.00 0.00 54.58 53.87 3hum n ASN 66 Cb 0.48 -3.40 0.38 0.00 -0.61 0.00 0.00 39.78 36.64 3hum n ASN 66 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3hum n ILE 67 N -4.40 1.05 0.49 2.41 -5.35 -1.26 -1.39 119.36 110.90 3hum n ILE 67 Ca 0.04 0.33 0.07 0.00 -0.27 0.00 0.00 62.75 62.91 3hum n ILE 67 Cb 0.52 -1.21 0.08 0.00 -1.74 0.00 0.00 39.64 37.30 3hum n ILE 67 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hum n ASP 68 N -1.88 2.36 -4.73 7.28 8.00 -1.26 -0.53 116.55 125.79 3hum n ASP 68 Ca 0.02 -1.67 -0.41 0.00 0.71 0.00 0.00 54.79 53.44 3hum n ASP 68 Cb 0.16 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3hum n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hum s THR 69 N -1.19 3.81 0.54 -3.53 2.01 -0.49 -4.91 115.64 111.89 3hum s THR 69 Ca 0.19 1.48 -0.19 0.00 0.31 0.00 0.00 61.69 63.47 3hum s THR 69 Cb 0.13 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 3hum s THR 69 CO 0.19 0.21 1.12 -0.54 -0.69 0.00 0.00 174.62 174.91 3hum s LYS 70 N 0.02 3.38 -0.02 4.92 1.02 -1.26 -4.29 119.74 123.51 3hum s LYS 70 Ca 0.53 1.58 -0.28 0.00 0.02 0.00 0.00 55.97 57.81 3hum s LYS 70 Cb -0.30 -2.01 0.10 0.00 -0.52 0.00 0.00 37.83 35.09 3hum s LYS 70 CO 0.34 -0.82 0.84 -0.46 -0.92 0.00 0.00 175.35 174.33 3hum s TRP 71 N -1.81 -0.43 -0.43 3.18 -0.11 0.73 -4.97 118.94 115.10 3hum s TRP 71 Ca 0.72 0.45 -0.29 0.00 1.22 0.00 0.00 56.10 58.20 3hum s TRP 71 Cb -0.23 0.50 0.02 0.00 -1.50 0.00 0.00 33.47 32.26 3hum s TRP 71 CO 0.27 -0.56 1.25 1.21 -4.62 0.00 0.00 176.95 174.51 3hum s ASN 72 N -2.04 6.53 0.06 5.86 2.47 -1.26 -1.52 114.94 125.05 3hum s ASN 72 Ca 0.01 0.68 0.18 0.00 0.42 0.00 0.00 52.86 54.14 3hum s ASN 72 Cb -0.01 -2.55 0.74 0.00 -1.45 0.00 0.00 41.25 37.99 3hum s ASN 72 CO -0.05 -1.30 1.55 -0.81 -3.72 0.00 0.00 177.10 172.78 3hum n PRO 73 N 7.86 0.05 0.00 0.43 -0.04 -1.26 -4.70 135.00 137.34 3hum n PRO 73 Ca 0.14 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3hum n PRO 73 Cb 0.48 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3hum n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hum n ALA 74 N -1.57 0.00 0.28 0.55 0.00 -1.26 -0.74 120.51 117.77 3hum n ALA 74 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.66 3hum n ALA 74 Cb 0.20 0.00 0.99 0.00 0.00 0.00 0.00 19.45 20.64 3hum n ALA 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hum h SER 75 N 2.00 0.00 0.25 0.00 0.02 -1.80 -0.58 113.55 113.43 3hum h SER 75 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hum h SER 75 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hum h SER 75 CO 0.00 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.92 3hum n MET 76 N -2.79 0.14 0.04 3.45 2.81 0.08 -0.86 117.12 119.99 3hum n MET 76 Ca -0.02 0.55 0.21 0.00 -1.81 0.00 0.00 57.70 56.63 3hum n MET 76 Cb 0.07 -1.89 0.73 0.00 -0.71 0.00 0.00 33.22 31.42 3hum n MET 76 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hum h THR 77 N 0.00 0.53 0.00 2.03 2.02 -1.24 -1.81 112.91 114.45 3hum h THR 77 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hum h THR 77 Cb 0.12 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3hum h THR 77 CO 0.00 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.00 3hum h LYS 78 N 0.00 0.00 -0.29 6.66 1.57 -1.19 -1.91 116.57 121.42 3hum h LYS 78 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3hum h LYS 78 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3hum h LYS 78 CO -0.00 0.00 0.19 1.25 -0.57 0.00 0.00 179.45 180.31 3hum h LEU 79 N 0.00 0.32 -0.76 2.94 5.85 -1.52 0.91 115.31 123.04 3hum h LEU 79 Ca 0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hum h LEU 79 Cb 0.45 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3hum h LEU 79 CO 0.00 0.23 0.48 -0.03 -0.34 0.00 0.00 178.44 178.78 3hum h MET 80 N 0.38 0.91 -0.90 1.25 4.05 -1.52 0.35 114.93 119.45 3hum h MET 80 Ca 0.11 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3hum h MET 80 Cb -0.04 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.51 3hum h MET 80 CO -0.03 0.60 0.59 1.15 0.23 0.00 0.00 176.91 179.45 3hum h THR 81 N 0.94 1.23 -0.04 -0.77 2.02 -1.48 -1.08 112.91 113.72 3hum h THR 81 Ca 0.31 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3hum h THR 81 Cb 0.03 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 3hum h THR 81 CO -0.12 0.22 0.01 0.24 0.37 0.00 0.00 175.52 176.25 3hum h MET 82 N 1.22 0.07 -0.65 6.66 2.07 -0.15 -2.07 114.93 122.07 3hum h MET 82 Ca 0.33 -0.02 0.14 0.00 -2.07 0.00 0.00 59.70 58.08 3hum h MET 82 Cb -0.13 -0.01 -0.12 0.00 -1.87 0.00 0.00 31.60 29.47 3hum h MET 82 CO -0.07 0.30 -0.05 -0.92 1.07 0.00 0.00 176.91 177.24 3hum h TYR 83 N -0.17 -0.15 -0.01 -0.22 3.20 -0.19 -1.87 116.97 117.57 3hum h TYR 83 Ca 0.01 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 3hum h TYR 83 Cb 0.27 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3hum h TYR 83 CO 0.01 -0.22 -0.71 -0.07 -1.64 0.00 0.00 178.16 175.53 3hum h LEU 84 N 0.07 0.06 -0.51 2.82 3.38 -1.11 -2.08 115.31 117.93 3hum h LEU 84 Ca 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3hum h LEU 84 Cb 0.55 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3hum h LEU 84 CO -0.60 0.75 0.25 0.74 0.09 0.00 0.00 178.44 179.66 3hum h THR 85 N 0.03 1.20 0.00 0.22 2.02 -0.73 -1.82 112.91 113.82 3hum h THR 85 Ca -0.01 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3hum h THR 85 Cb 1.26 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3hum h THR 85 CO 0.10 0.22 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 3hum h LEU 86 N 0.68 0.00 0.09 2.58 3.38 -1.08 -0.67 115.31 120.29 3hum h LEU 86 Ca 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 3hum h LEU 86 Cb 0.12 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hum h LEU 86 CO -0.02 0.00 -1.00 -0.08 0.09 0.00 0.00 178.44 177.43 3hum h GLU 87 N 0.00 0.52 -0.61 1.13 4.81 -1.13 -1.01 114.58 118.28 3hum h GLU 87 Ca 0.00 -0.68 0.02 0.00 -0.13 0.00 0.00 59.36 58.57 3hum h GLU 87 Cb 0.70 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3hum h GLU 87 CO 0.00 1.29 0.39 0.00 -0.73 0.00 0.00 179.01 179.95 3hum h ALA 88 N 0.26 0.79 -0.53 2.92 0.00 -0.87 -0.22 119.26 121.61 3hum h ALA 88 Ca -0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hum h ALA 88 Cb 1.71 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3hum h ALA 88 CO 0.19 0.15 0.30 0.28 0.00 0.00 0.00 179.25 180.17 3hum h VAL 89 N 0.77 1.02 0.00 0.00 2.07 -1.12 -1.70 116.25 117.29 3hum h VAL 89 Ca 0.24 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hum h VAL 89 Cb -0.02 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hum h VAL 89 CO -0.08 0.11 -0.08 0.78 0.02 0.00 0.00 177.57 178.32 3hum h ASN 90 N 0.60 0.00 0.36 0.57 2.35 -0.15 -1.57 115.58 117.73 3hum h ASN 90 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hum h ASN 90 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hum h ASN 90 CO -0.12 0.08 -0.09 0.29 -1.65 0.00 0.00 177.43 175.94 3hum n LYS 91 N -3.70 0.69 -0.94 0.81 5.02 -0.19 -4.91 118.16 114.94 3hum n LYS 91 Ca -0.02 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3hum n LYS 91 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3hum n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hum n GLY 92 N 1.26 0.80 0.15 0.72 0.00 -0.59 -4.88 105.19 102.66 3hum n GLY 92 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3hum n GLY 92 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hum h GLN 93 N 2.37 0.00 -1.85 1.61 4.20 -1.54 -3.46 115.11 116.43 3hum h GLN 93 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3hum h GLN 93 Cb 0.00 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.57 3hum h GLN 93 CO 0.00 0.00 0.30 -1.17 -0.67 0.00 0.00 178.83 177.29 3hum s LEU 94 N -4.81 -0.58 0.06 1.46 2.96 -1.23 -4.96 118.68 111.58 3hum s LEU 94 Ca 0.05 0.71 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3hum s LEU 94 Cb 0.09 2.31 -0.03 0.00 0.50 0.00 0.00 46.19 49.06 3hum s LEU 94 CO 0.45 -0.47 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.25 3hum s SER 95 N -0.94 2.44 0.44 3.68 0.15 -1.26 -4.10 113.70 114.11 3hum s SER 95 Ca -0.07 -0.57 0.14 0.00 0.70 0.00 0.00 55.95 56.15 3hum s SER 95 Cb -0.01 -0.18 1.05 0.00 -1.71 0.00 0.00 66.02 65.18 3hum s SER 95 CO 0.06 0.12 2.01 -0.07 1.20 0.00 0.00 173.24 176.55 3hum h LEU 96 N 4.60 0.32 -2.30 3.45 3.38 -1.97 0.69 115.31 123.49 3hum h LEU 96 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hum h LEU 96 Cb 1.17 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hum h LEU 96 CO 0.42 0.20 -0.01 0.44 0.09 0.00 0.00 178.44 179.59 3hum h ASP 97 N 0.37 0.00 -3.31 -0.43 5.19 -1.97 -2.31 116.42 113.96 3hum h ASP 97 Ca 0.23 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.16 3hum h ASP 97 Cb 0.44 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.17 3hum h ASP 97 CO -0.06 0.01 -0.34 0.47 -3.12 0.00 0.00 179.24 176.20 3hum n ASP 98 N -4.03 -1.47 -4.16 6.45 8.00 0.23 -4.74 116.55 116.83 3hum n ASP 98 Ca -0.03 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 3hum n ASP 98 Cb 0.10 -1.23 -0.10 0.00 -0.02 0.00 0.00 41.12 39.87 3hum n ASP 98 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hum s THR 99 N -2.42 0.32 -0.03 -3.53 -4.23 -1.26 -1.54 115.64 102.95 3hum s THR 99 Ca 0.62 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3hum s THR 99 Cb -0.21 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.74 3hum s THR 99 CO 0.64 -0.62 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.39 3hum s VAL 100 N -3.89 0.31 -0.12 2.29 1.01 -0.23 -4.94 120.40 114.84 3hum s VAL 100 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 3hum s VAL 100 Cb 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3hum s VAL 100 CO -0.01 0.17 0.22 -0.89 0.00 0.00 0.00 175.10 174.59 3hum s THR 101 N 0.92 5.36 0.21 3.92 2.01 -1.26 -0.45 115.64 126.36 3hum s THR 101 Ca -0.10 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 3hum s THR 101 Cb -0.14 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 3hum s THR 101 CO -0.01 0.54 0.91 -0.04 -0.69 0.00 0.00 174.62 175.32 3hum s MET 102 N -0.50 4.79 0.50 4.92 -1.94 0.49 -4.93 119.30 122.63 3hum s MET 102 Ca 0.16 1.42 0.03 0.00 -1.71 0.00 0.00 55.69 55.58 3hum s MET 102 Cb -0.13 -3.29 0.03 0.00 2.01 0.00 0.00 34.83 33.45 3hum s MET 102 CO 0.05 0.50 0.24 0.25 -0.01 0.00 0.00 175.02 176.05 3hum n THR 103 N 1.63 0.00 0.09 2.05 -2.24 -1.26 -0.51 114.28 114.04 3hum n THR 103 Ca -0.02 -2.14 0.19 0.00 -2.27 0.00 0.00 64.05 59.81 3hum n THR 103 Cb 0.48 0.14 0.75 0.00 -2.10 0.00 0.00 70.33 69.60 3hum n THR 103 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hum h ASN 104 N 0.83 0.00 -0.15 3.42 2.35 -1.95 -2.72 115.58 117.36 3hum h ASN 104 Ca -0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 3hum h ASN 104 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3hum h ASN 104 CO 0.57 0.00 0.01 0.50 -1.65 0.00 0.00 177.43 176.87 3hum h LYS 105 N 0.00 0.25 -0.65 0.81 3.64 -1.97 -1.97 116.57 116.68 3hum h LYS 105 Ca 0.18 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3hum h LYS 105 Cb 0.89 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3hum h LYS 105 CO -0.00 0.45 0.43 0.93 -2.27 0.00 0.00 179.45 178.99 3hum h GLU 106 N 0.01 0.76 -0.82 1.90 3.07 -1.84 -0.94 114.58 116.72 3hum h GLU 106 Ca 0.04 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3hum h GLU 106 Cb 0.33 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 3hum h GLU 106 CO 0.00 0.50 0.54 -0.92 -1.40 0.00 0.00 179.01 177.74 3hum h TYR 107 N 0.78 1.02 -0.23 4.33 3.20 -1.26 0.12 116.97 124.93 3hum h TYR 107 Ca 0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3hum h TYR 107 Cb 0.05 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3hum h TYR 107 CO -0.00 0.62 0.03 0.82 -1.64 0.00 0.00 178.16 177.99 3hum h ILE 108 N 1.08 1.23 -0.69 1.81 5.03 -1.06 -2.68 117.51 122.24 3hum h ILE 108 Ca 0.31 -0.79 0.14 0.00 -0.12 0.00 0.00 64.86 64.40 3hum h ILE 108 Cb -0.08 1.31 -0.10 0.00 -3.03 0.00 0.00 36.82 34.93 3hum h ILE 108 CO -0.08 0.25 0.19 0.24 -0.68 0.00 0.00 178.15 178.07 3hum h MET 109 N 0.18 0.31 0.00 2.37 2.86 -0.75 -0.63 114.93 119.26 3hum h MET 109 Ca 0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hum h MET 109 Cb 0.34 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3hum h MET 109 CO 0.01 0.20 0.00 -1.13 1.06 0.00 0.00 176.91 177.05 3hum n SER 110 N -5.10 0.00 -0.02 1.22 3.41 0.38 -3.18 113.62 110.32 3hum n SER 110 Ca 0.12 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3hum n SER 110 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3hum n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hum n THR 111 N -0.79 0.36 -1.51 6.66 -2.24 -0.28 -4.40 114.28 112.08 3hum n THR 111 Ca 0.12 -0.37 -0.45 0.00 -2.27 0.00 0.00 64.05 61.09 3hum n THR 111 Cb 0.06 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 3hum n THR 111 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hum n LEU 112 N -0.19 0.54 -4.78 3.22 4.77 -0.97 -4.86 117.00 114.73 3hum n LEU 112 Ca 0.00 1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 56.73 3hum n LEU 112 Cb 0.43 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 3hum n LEU 112 CO 0.00 -2.19 0.77 -2.84 -1.33 0.00 0.00 177.39 171.80 3hum s PRO 113 N -1.42 3.60 -0.52 3.23 0.02 -1.26 -3.41 135.00 135.24 3hum s PRO 113 Ca 0.61 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3hum s PRO 113 Cb -0.74 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3hum s PRO 113 CO 0.58 -0.64 0.00 0.39 -0.33 0.00 0.00 177.00 177.00 3hum n GLU 114 N -0.98 -0.94 -5.24 5.54 -0.58 -1.26 -4.99 120.64 112.18 3hum n GLU 114 Ca 0.10 0.54 -0.31 0.00 -0.42 0.00 0.00 57.16 57.07 3hum n GLU 114 Cb 0.51 -4.42 -0.16 0.00 -0.57 0.00 0.00 31.44 26.80 3hum n GLU 114 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hum s LEU 115 N -1.12 2.05 -0.26 -4.62 1.43 -1.22 -5.09 118.68 109.85 3hum s LEU 115 Ca 0.00 -0.48 -0.43 0.00 -1.03 0.00 0.00 54.13 52.19 3hum s LEU 115 Cb 0.00 -1.32 -0.20 0.00 0.03 0.00 0.00 46.19 44.70 3hum s LEU 115 CO 0.00 0.26 1.38 -1.20 0.23 0.00 0.00 176.35 177.03 3hum n SER 116 N 2.77 0.81 -3.60 2.29 7.64 -1.26 -4.91 113.62 117.35 3hum n SER 116 Ca -0.17 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.84 3hum n SER 116 Cb 0.52 -0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 3hum n SER 116 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hum s ASN 117 N 1.71 -0.12 -0.00 6.43 0.01 -1.26 -1.70 114.94 120.00 3hum s ASN 117 Ca 0.98 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 53.15 3hum s ASN 117 Cb -1.36 0.13 -0.01 0.00 0.41 0.00 0.00 41.25 40.43 3hum s ASN 117 CO 0.69 -0.21 -0.08 0.28 -1.51 0.00 0.00 177.10 176.27 3hum s THR 118 N -2.38 0.62 0.18 1.60 -1.32 -1.26 -4.98 115.64 108.11 3hum s THR 118 Ca 0.10 -0.40 -0.31 0.00 -1.21 0.00 0.00 61.69 59.86 3hum s THR 118 Cb -0.01 -0.54 -0.09 0.00 -1.51 0.00 0.00 72.50 70.35 3hum s THR 118 CO -0.04 0.13 1.44 -0.54 -2.21 0.00 0.00 174.62 173.40 3hum s LYS 119 N -0.31 4.28 -0.35 7.08 3.01 -1.26 -4.80 119.74 127.40 3hum s LYS 119 Ca 0.02 2.23 -0.03 0.00 -1.01 0.00 0.00 55.97 57.17 3hum s LYS 119 Cb -0.04 -3.17 0.07 0.00 -1.01 0.00 0.00 37.83 33.68 3hum s LYS 119 CO -0.00 -0.45 0.09 -0.51 0.51 0.00 0.00 175.35 174.99 3hum s LEU 120 N 0.45 4.46 0.03 3.17 1.43 -1.26 -5.08 118.68 121.89 3hum s LEU 120 Ca 0.63 -1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 3hum s LEU 120 Cb -0.40 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3hum s LEU 120 CO 0.36 -0.37 1.11 -0.31 0.23 0.00 0.00 176.35 177.37 3hum s TYR 121 N 1.25 3.52 0.20 0.29 2.02 -1.26 -3.34 117.35 120.03 3hum s TYR 121 Ca 0.00 1.46 -0.32 0.00 -0.37 0.00 0.00 57.07 57.84 3hum s TYR 121 Cb -0.21 -3.30 -0.14 0.00 -0.40 0.00 0.00 41.96 37.91 3hum s TYR 121 CO -0.01 -0.78 1.31 -2.30 -1.57 0.00 0.00 175.55 172.20 3hum n PRO 122 N 3.94 1.64 0.00 -1.71 -0.02 -1.26 -1.33 135.00 136.26 3hum n PRO 122 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3hum n PRO 122 Cb 0.48 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3hum n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hum n GLY 123 N 2.17 3.06 3.65 -1.23 0.00 0.33 -4.95 105.19 108.22 3hum n GLY 123 Ca 0.13 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3hum n GLY 123 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hum n GLN 124 N 0.00 1.69 -4.14 1.61 6.02 -0.44 -4.64 117.38 117.48 3hum n GLN 124 Ca 0.00 0.60 -0.34 0.00 -0.01 0.00 0.00 57.00 57.25 3hum n GLN 124 Cb 0.00 -2.16 -0.14 0.00 1.02 0.00 0.00 30.24 28.97 3hum n GLN 124 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hum s VAL 125 N -1.17 3.35 -0.08 5.09 1.01 -1.26 -0.38 120.40 126.97 3hum s VAL 125 Ca 0.60 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3hum s VAL 125 Cb -0.58 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3hum s VAL 125 CO 0.59 0.45 -0.18 0.26 0.00 0.00 0.00 175.10 176.22 3hum s TRP 126 N 1.12 2.64 0.63 5.22 0.52 0.41 -4.92 118.94 124.56 3hum s TRP 126 Ca 0.01 -0.59 -0.12 0.00 0.02 0.00 0.00 56.10 55.42 3hum s TRP 126 Cb -0.15 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3hum s TRP 126 CO -0.01 -0.13 1.04 0.95 0.02 0.00 0.00 176.95 178.81 3hum s THR 127 N -0.09 4.40 0.16 2.01 -4.23 -1.26 -1.07 115.64 115.56 3hum s THR 127 Ca -0.04 0.84 -0.16 0.00 -1.18 0.00 0.00 61.69 61.16 3hum s THR 127 Cb -0.14 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.09 3hum s THR 127 CO 0.04 -0.96 1.72 0.40 -0.54 0.00 0.00 174.62 175.29 3hum h ILE 128 N -0.26 0.79 -0.54 2.99 1.08 -1.09 -0.15 117.51 120.32 3hum h ILE 128 Ca -0.44 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 3hum h ILE 128 Cb 1.20 0.59 -0.10 0.00 -3.07 0.00 0.00 36.82 35.43 3hum h ILE 128 CO 0.60 0.03 -0.15 0.00 -0.69 0.00 0.00 178.15 177.95 3hum h ALA 129 N 1.29 0.34 0.00 1.87 0.00 -1.70 0.34 119.26 121.40 3hum h ALA 129 Ca 0.18 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 3hum h ALA 129 Cb 0.22 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hum h ALA 129 CO -0.25 -0.45 -0.33 -0.44 0.00 0.00 0.00 179.25 177.78 3hum h ASP 130 N -0.01 0.00 0.15 0.00 5.19 -1.60 -0.93 116.42 119.21 3hum h ASP 130 Ca 0.26 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.47 3hum h ASP 130 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3hum h ASP 130 CO -0.57 0.33 -0.79 -0.07 -3.12 0.00 0.00 179.24 175.03 3hum h LEU 131 N 0.00 0.64 -0.64 1.55 3.38 0.12 -2.33 115.31 118.03 3hum h LEU 131 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hum h LEU 131 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3hum h LEU 131 CO 0.04 1.20 0.42 -0.07 0.09 0.00 0.00 178.44 180.12 3hum h LEU 132 N 0.35 0.74 -1.01 1.67 3.38 -0.28 -2.06 115.31 118.10 3hum h LEU 132 Ca -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hum h LEU 132 Cb 1.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3hum h LEU 132 CO 0.14 0.55 0.24 -0.61 0.09 0.00 0.00 178.44 178.85 3hum h GLN 133 N 0.87 0.95 0.00 1.13 5.75 -0.83 -2.33 115.11 120.65 3hum h GLN 133 Ca 0.23 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3hum h GLN 133 Cb -0.09 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.30 3hum h GLN 133 CO -0.05 0.79 -0.59 -0.84 -2.65 0.00 0.00 178.83 175.49 3hum h ILE 134 N 0.93 0.00 0.07 2.39 3.07 -1.32 -1.16 117.51 121.49 3hum h ILE 134 Ca 0.21 -0.71 -0.00 0.00 1.55 0.00 0.00 64.86 65.92 3hum h ILE 134 Cb 0.21 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 3hum h ILE 134 CO -0.02 0.00 -0.03 0.74 -1.05 0.00 0.00 178.15 177.79 3hum h THR 135 N 0.00 0.97 0.00 0.16 2.02 -0.85 -0.91 112.91 114.31 3hum h THR 135 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hum h THR 135 Cb 0.85 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3hum h THR 135 CO 0.00 0.03 -0.04 1.62 0.37 0.00 0.00 175.52 177.50 3hum h VAL 136 N -0.15 1.67 -0.38 3.16 3.04 -1.49 -2.78 116.25 119.32 3hum h VAL 136 Ca -0.01 -2.03 -0.11 0.00 -1.01 0.00 0.00 66.70 63.54 3hum h VAL 136 Cb 0.13 3.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 3hum h VAL 136 CO 0.02 0.53 -0.19 0.28 -1.01 0.00 0.00 177.57 177.20 3hum h SER 137 N -0.82 0.83 -0.01 3.17 0.02 -1.27 -3.18 113.55 112.29 3hum h SER 137 Ca -0.01 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3hum h SER 137 Cb 0.89 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3hum h SER 137 CO 0.01 1.05 -0.81 -3.20 -1.14 0.00 0.00 176.83 172.74 3hum n ASN 138 N -4.26 1.37 -3.86 3.07 5.15 -0.41 -4.52 115.26 111.79 3hum n ASN 138 Ca -0.02 -1.18 -0.25 0.00 -0.60 0.00 0.00 54.58 52.53 3hum n ASN 138 Cb 0.42 0.81 0.01 0.00 -0.53 0.00 0.00 39.78 40.49 3hum n ASN 138 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3hum n SER 139 N -0.96 -1.41 -4.62 1.20 7.64 -1.05 -4.26 113.62 110.15 3hum n SER 139 Ca 0.06 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.61 3hum n SER 139 Cb 0.38 -3.56 -0.02 0.00 -1.01 0.00 0.00 64.21 60.00 3hum n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hum s SER 140 N -4.17 6.49 0.10 6.43 0.15 -0.82 -4.32 113.70 117.57 3hum s SER 140 Ca 0.13 1.29 -0.20 0.00 0.70 0.00 0.00 55.95 57.87 3hum s SER 140 Cb -0.07 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.62 3hum s SER 140 CO 0.85 -1.22 1.68 0.78 1.20 0.00 0.00 173.24 176.53 3hum h ASN 141 N 10.13 0.25 -0.30 5.45 2.35 -1.65 -2.51 115.58 129.28 3hum h ASN 141 Ca -0.29 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3hum h ASN 141 Cb 1.12 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3hum h ASN 141 CO 1.03 0.29 0.16 0.00 -1.65 0.00 0.00 177.43 177.26 3hum h ALA 142 N 0.97 0.37 -0.83 -0.83 0.00 -1.81 -1.69 119.26 115.44 3hum h ALA 142 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hum h ALA 142 Cb 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3hum h ALA 142 CO -0.01 -0.22 0.50 0.00 0.00 0.00 0.00 179.25 179.52 3hum h ALA 143 N 1.15 1.16 -0.00 0.00 0.00 -1.88 0.32 119.26 120.01 3hum h ALA 143 Ca 0.12 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3hum h ALA 143 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hum h ALA 143 CO -0.08 0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.89 3hum h ALA 144 N 1.42 1.20 -0.20 0.00 0.00 -0.95 0.15 119.26 120.88 3hum h ALA 144 Ca 0.38 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3hum h ALA 144 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hum h ALA 144 CO -0.20 0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 179.49 3hum h LEU 145 N 0.00 0.43 -0.98 0.00 3.38 -0.40 -2.19 115.31 115.54 3hum h LEU 145 Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 3hum h LEU 145 Cb 0.85 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hum h LEU 145 CO 0.06 0.74 -0.06 0.40 0.09 0.00 0.00 178.44 179.67 3hum h ILE 146 N 0.11 1.24 -0.36 1.22 2.04 -0.04 -2.48 117.51 119.24 3hum h ILE 146 Ca 0.05 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.73 3hum h ILE 146 Cb 0.57 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3hum h ILE 146 CO 0.03 0.35 -0.39 -0.07 0.00 0.00 0.00 178.15 178.07 3hum h LEU 147 N 0.63 0.93 -1.18 1.44 3.38 -0.67 -2.02 115.31 117.83 3hum h LEU 147 Ca 0.12 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.76 3hum h LEU 147 Cb 0.48 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3hum h LEU 147 CO 0.02 1.21 0.59 0.00 0.09 0.00 0.00 178.44 180.35 3hum h ALA 148 N 0.84 1.63 0.00 1.53 0.00 -1.04 -1.06 119.26 121.14 3hum h ALA 148 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hum h ALA 148 Cb 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hum h ALA 148 CO 0.09 0.18 0.00 0.87 0.00 0.00 0.00 179.25 180.39 3hum h LYS 149 N 0.90 0.00 0.00 0.00 1.57 -1.06 -1.40 116.57 116.58 3hum h LYS 149 Ca 0.43 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.04 3hum h LYS 149 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3hum h LYS 149 CO -0.19 0.00 -0.81 0.87 -0.57 0.00 0.00 179.45 178.76 3hum h LYS 150 N 0.00 0.00 0.12 3.15 1.79 -0.53 -3.37 116.57 117.73 3hum h LYS 150 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 3hum h LYS 150 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3hum h LYS 150 CO 0.00 0.81 -1.67 0.28 -1.08 0.00 0.00 179.45 177.79 3hum h VAL 151 N 0.00 0.99 -2.80 0.50 2.07 -1.04 -3.48 116.25 112.49 3hum h VAL 151 Ca -0.01 -2.66 -0.47 0.00 0.82 0.00 0.00 66.70 64.38 3hum h VAL 151 Cb 1.60 2.68 -0.14 0.00 -1.52 0.00 0.00 31.29 33.90 3hum h VAL 151 CO 0.10 0.80 -0.66 -0.44 0.02 0.00 0.00 177.57 177.40 3hum s SER 152 N -6.94 2.52 0.08 0.57 0.01 -0.54 -5.07 113.70 104.34 3hum s SER 152 Ca -0.12 -1.22 -0.27 0.00 1.31 0.00 0.00 55.95 55.65 3hum s SER 152 Cb 0.07 -0.12 -0.16 0.00 0.21 0.00 0.00 66.02 66.02 3hum s SER 152 CO 0.84 -0.42 1.69 0.11 0.41 0.00 0.00 173.24 175.87 3hum h LYS 153 N 2.29 -0.34 0.00 12.44 1.57 -1.83 -3.39 116.57 127.31 3hum h LYS 153 Ca -0.40 0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 57.89 3hum h LYS 153 Cb 1.23 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.50 3hum h LYS 153 CO 0.67 -0.23 -0.46 0.27 -0.57 0.00 0.00 179.45 179.14 3hum n ASN 154 N -5.25 0.41 0.18 0.86 0.23 -1.26 -4.92 115.26 105.51 3hum n ASN 154 Ca -0.09 -3.13 0.07 0.00 -0.53 0.00 0.00 54.58 50.90 3hum n ASN 154 Cb 0.17 1.27 0.10 0.00 -2.08 0.00 0.00 39.78 39.24 3hum n ASN 154 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hum h THR 155 N 1.82 0.42 -0.36 5.53 1.03 -1.88 -2.83 112.91 116.64 3hum h THR 155 Ca -0.28 -1.59 -0.13 0.00 -0.01 0.00 0.00 66.41 64.40 3hum h THR 155 Cb 1.18 2.21 -0.01 0.00 -1.07 0.00 0.00 68.15 70.46 3hum h THR 155 CO 0.42 0.24 -0.30 0.28 -0.01 0.00 0.00 175.52 176.15 3hum h SER 156 N 0.00 0.88 -0.86 0.00 0.02 -1.96 0.39 113.55 112.01 3hum h SER 156 Ca -0.00 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3hum h SER 156 Cb 1.19 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 3hum h SER 156 CO 0.03 1.15 0.52 0.44 -1.14 0.00 0.00 176.83 177.83 3hum h ASP 157 N 0.62 1.03 -0.55 3.07 3.32 -1.97 -0.28 116.42 121.66 3hum h ASP 157 Ca 0.06 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hum h ASP 157 Cb 0.88 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hum h ASP 157 CO 0.08 0.79 0.21 0.15 -1.72 0.00 0.00 179.24 178.75 3hum h PHE 158 N 1.18 0.85 -0.31 4.55 3.57 -1.17 -1.11 116.94 124.51 3hum h PHE 158 Ca 0.31 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3hum h PHE 158 Cb -0.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3hum h PHE 158 CO -0.00 0.70 -0.12 0.28 -2.23 0.00 0.00 178.31 176.94 3hum h VAL 159 N 0.76 1.23 -0.90 1.41 2.07 -0.56 -1.35 116.25 118.91 3hum h VAL 159 Ca 0.18 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3hum h VAL 159 Cb 0.22 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3hum h VAL 159 CO -0.01 0.34 0.58 0.44 0.02 0.00 0.00 177.57 178.94 3hum h ASP 160 N 0.48 0.97 -0.84 0.57 3.32 -0.67 -0.89 116.42 119.37 3hum h ASP 160 Ca 0.09 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hum h ASP 160 Cb 0.50 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3hum h ASP 160 CO 0.03 0.67 0.41 0.25 -1.72 0.00 0.00 179.24 178.87 3hum h LEU 161 N 1.13 1.10 -0.01 1.55 5.85 -0.51 0.34 115.31 124.76 3hum h LEU 161 Ca 0.36 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hum h LEU 161 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 3hum h LEU 161 CO -0.12 0.92 -0.00 0.24 -0.34 0.00 0.00 178.44 179.14 3hum h MET 162 N 1.20 -0.00 -0.37 1.25 2.86 -0.63 0.31 114.93 119.55 3hum h MET 162 Ca 0.29 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.87 3hum h MET 162 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3hum h MET 162 CO -0.04 -0.00 -0.00 -0.91 1.06 0.00 0.00 176.91 177.02 3hum h ASN 163 N -0.00 0.64 -0.74 1.22 2.35 -0.85 -0.38 115.58 117.81 3hum h ASN 163 Ca 0.01 -0.31 0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3hum h ASN 163 Cb 0.01 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 3hum h ASN 163 CO -0.02 0.79 0.43 0.78 -1.65 0.00 0.00 177.43 177.77 3hum h ASN 164 N 0.47 0.65 -0.69 5.81 2.35 -0.31 0.65 115.58 124.50 3hum h ASN 164 Ca 0.10 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3hum h ASN 164 Cb 0.46 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3hum h ASN 164 CO 0.02 0.42 0.25 0.50 -1.65 0.00 0.00 177.43 176.96 3hum h LYS 165 N 0.79 1.06 -0.50 0.81 1.63 -0.77 -0.51 116.57 119.07 3hum h LYS 165 Ca 0.33 -0.21 0.06 0.00 -0.85 0.00 0.00 60.65 59.98 3hum h LYS 165 Cb 0.20 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 3hum h LYS 165 CO -0.19 0.89 0.21 0.00 -3.45 0.00 0.00 179.45 176.92 3hum h ALA 166 N 1.11 0.63 -0.29 5.00 0.00 -0.02 -1.55 119.26 124.14 3hum h ALA 166 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hum h ALA 166 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hum h ALA 166 CO -0.01 -0.16 0.09 -0.22 0.00 0.00 0.00 179.25 178.94 3hum h LYS 167 N 0.42 0.45 -0.84 0.00 3.64 -0.54 -0.83 116.57 118.87 3hum h LYS 167 Ca 0.23 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3hum h LYS 167 Cb 0.20 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3hum h LYS 167 CO -0.21 0.51 0.55 0.00 -2.27 0.00 0.00 179.45 178.03 3hum h ALA 168 N 0.92 1.48 -0.03 5.00 0.00 -0.66 -2.63 119.26 123.35 3hum h ALA 168 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hum h ALA 168 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hum h ALA 168 CO -0.00 0.43 -0.00 0.44 0.00 0.00 0.00 179.25 180.12 3hum n ILE 169 N -4.45 0.00 -0.81 0.00 -5.35 -0.62 -4.95 119.36 103.19 3hum n ILE 169 Ca 0.11 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3hum n ILE 169 Cb 0.11 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 3hum n ILE 169 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hum n GLY 170 N 1.34 1.32 3.18 3.28 0.00 -0.89 -4.98 105.19 108.44 3hum n GLY 170 Ca 0.14 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3hum n GLY 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hum n MET 171 N -0.91 3.26 0.21 1.61 2.81 -0.37 -4.81 117.12 118.93 3hum n MET 171 Ca 0.00 -3.32 0.05 0.00 -1.81 0.00 0.00 57.70 52.62 3hum n MET 171 Cb 0.20 -3.20 0.47 0.00 -0.71 0.00 0.00 33.22 29.97 3hum n MET 171 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hum h LYS 172 N 6.66 0.00 -0.73 0.03 1.57 -1.92 -2.78 116.57 119.40 3hum h LYS 172 Ca 0.43 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.00 3hum h LYS 172 Cb 0.76 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.94 3hum h LYS 172 CO 1.55 0.26 0.26 0.09 -0.57 0.00 0.00 179.45 181.04 3hum n ASN 173 N -4.10 4.81 -4.54 0.86 3.02 -1.26 -4.98 115.26 109.08 3hum n ASN 173 Ca -0.02 -3.23 -0.31 0.00 -0.03 0.00 0.00 54.58 50.99 3hum n ASN 173 Cb 0.32 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 3hum n ASN 173 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hum s THR 174 N -3.00 3.23 -0.21 3.41 2.01 -1.05 -4.10 115.64 115.93 3hum s THR 174 Ca 0.55 -1.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 3hum s THR 174 Cb 0.44 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 70.60 3hum s THR 174 CO 0.13 0.27 0.48 -2.28 -0.69 0.00 0.00 174.62 172.53 3hum s HIS 175 N -1.05 -0.82 0.10 4.92 5.04 -0.07 -4.98 115.29 118.42 3hum s HIS 175 Ca 0.18 1.61 0.04 0.00 -1.54 0.00 0.00 55.06 55.35 3hum s HIS 175 Cb -0.11 0.39 -0.04 0.00 0.04 0.00 0.00 32.58 32.86 3hum s HIS 175 CO 0.09 -0.46 0.06 -0.06 -2.34 0.00 0.00 174.74 172.03 3hum s PHE 176 N 2.09 3.09 0.00 3.88 0.08 -1.26 -1.74 117.98 124.12 3hum s PHE 176 Ca -0.06 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.00 3hum s PHE 176 Cb -0.10 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3hum s PHE 176 CO -0.14 0.51 0.17 1.33 -0.10 0.00 0.00 175.22 176.99 3hum n VAL 177 N 0.32 0.00 -3.84 -0.44 0.24 -1.26 -4.87 118.33 108.48 3hum n VAL 177 Ca -0.09 -0.23 -0.03 0.00 -2.04 0.00 0.00 64.34 61.94 3hum n VAL 177 Cb 0.52 1.42 0.01 0.00 -1.47 0.00 0.00 33.84 34.32 3hum n VAL 177 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hum s ASN 178 N -0.11 -0.04 0.04 -1.34 2.20 -1.26 -4.65 114.94 109.79 3hum s ASN 178 Ca 0.00 -0.63 0.28 0.00 -0.94 0.00 0.00 52.86 51.56 3hum s ASN 178 Cb 0.00 0.51 1.01 0.00 -2.00 0.00 0.00 41.25 40.77 3hum s ASN 178 CO 0.00 -1.00 1.80 -2.65 -2.94 0.00 0.00 177.10 172.31 3hum n PRO 179 N -0.63 0.06 -0.03 3.55 -0.02 -1.26 -4.39 135.00 132.28 3hum n PRO 179 Ca -0.04 0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 3hum n PRO 179 Cb 0.60 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 3hum n PRO 179 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hum n THR 180 N -1.67 0.34 -0.09 3.45 -2.24 -1.26 -4.32 114.28 108.49 3hum n THR 180 Ca 0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3hum n THR 180 Cb 0.36 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3hum n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hum n GLY 181 N 2.44 0.81 3.80 3.38 0.00 -1.26 -4.27 105.19 110.09 3hum n GLY 181 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3hum n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hum s ALA 182 N -2.39 2.02 0.28 4.61 0.00 -1.26 -4.39 121.76 120.64 3hum s ALA 182 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 3hum s ALA 182 Cb 0.00 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 3hum s ALA 182 CO 0.00 -2.04 1.30 -1.21 0.00 0.00 0.00 175.76 173.81 3hum s GLU 183 N -5.27 4.39 0.38 0.00 8.01 -1.26 -4.82 118.70 120.12 3hum s GLU 183 Ca 0.63 2.13 0.10 0.00 0.01 0.00 0.00 54.97 57.84 3hum s GLU 183 Cb -0.14 -3.12 0.87 0.00 -4.31 0.00 0.00 34.13 27.42 3hum s GLU 183 CO 0.53 -0.19 1.92 -0.91 0.01 0.00 0.00 175.26 176.63 3hum h ASN 184 N 4.21 0.56 0.46 -0.19 2.35 -1.74 -1.10 115.58 120.13 3hum h ASN 184 Ca -0.47 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 3hum h ASN 184 Cb 1.22 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 3hum h ASN 184 CO 0.70 0.32 -0.22 0.77 -1.65 0.00 0.00 177.43 177.36 3hum h SER 185 N 0.62 0.00 1.56 5.81 4.64 -1.88 -0.24 113.55 124.06 3hum h SER 185 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hum h SER 185 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hum h SER 185 CO -0.14 0.22 0.00 0.03 -0.87 0.00 0.00 176.83 176.07 3hum h ARG 186 N 0.00 0.00 0.00 4.77 3.08 -1.58 -2.73 114.38 117.92 3hum h ARG 186 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hum h ARG 186 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3hum h ARG 186 CO 0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 3hum n LEU 187 N -2.92 0.39 0.00 3.04 4.77 -0.10 -4.80 117.00 117.38 3hum n LEU 187 Ca 0.03 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3hum n LEU 187 Cb 0.43 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hum n LEU 187 CO 0.31 -0.33 0.00 0.54 -1.33 0.00 0.00 177.39 176.58 3hum n ARG 188 N -1.91 0.00 0.00 3.23 1.74 -1.03 -1.17 116.66 117.51 3hum n ARG 188 Ca 0.04 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 3hum n ARG 188 Cb 0.26 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.20 3hum n ARG 188 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hum n SER 189 N 3.37 0.00 -0.32 0.55 3.41 -1.26 -1.96 113.62 117.41 3hum n SER 189 Ca 0.00 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3hum n SER 189 Cb 0.00 -0.07 0.29 0.00 -0.26 0.00 0.00 64.21 64.17 3hum n SER 189 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hum n PHE 190 N -1.07 0.00 -1.78 7.33 3.72 -0.32 -4.93 117.46 120.42 3hum n PHE 190 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 3hum n PHE 190 Cb 0.08 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3hum n PHE 190 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hum n ALA 191 N -0.47 2.35 -1.81 4.37 0.00 -0.83 -4.89 120.51 119.24 3hum n ALA 191 Ca 0.12 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 3hum n ALA 191 Cb 0.38 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 3hum n ALA 191 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hum s PRO 192 N -2.20 4.32 0.07 0.00 0.04 -1.26 -4.84 135.00 131.13 3hum s PRO 192 Ca 0.55 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 3hum s PRO 192 Cb -0.46 -3.08 -0.17 0.00 0.04 0.00 0.00 34.50 30.83 3hum s PRO 192 CO 0.62 -0.27 1.62 1.15 0.04 0.00 0.00 177.00 180.16 3hum h THR 193 N 3.18 0.79 0.00 1.26 2.02 -1.94 0.16 112.91 118.37 3hum h THR 193 Ca -0.48 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3hum h THR 193 Cb 1.22 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3hum h THR 193 CO 0.69 0.03 0.10 0.50 0.37 0.00 0.00 175.52 177.21 3hum h LYS 194 N -0.39 0.00 -0.02 6.66 3.64 -1.94 -1.71 116.57 122.81 3hum h LYS 194 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hum h LYS 194 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hum h LYS 194 CO 0.05 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 3hum n TYR 195 N -2.84 0.02 -0.00 1.91 4.02 -0.79 -4.84 117.16 114.64 3hum n TYR 195 Ca -0.02 -0.13 0.18 0.00 -0.01 0.00 0.00 57.90 57.92 3hum n TYR 195 Cb 0.16 -0.01 0.31 0.00 -0.02 0.00 0.00 39.34 39.78 3hum n TYR 195 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3hum h LYS 196 N 0.34 0.00 -0.02 -0.72 1.63 0.25 0.11 116.57 118.16 3hum h LYS 196 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hum h LYS 196 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3hum h LYS 196 CO 0.00 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.60 3hum n ASP 197 N -3.01 1.91 -4.72 4.20 5.75 -1.26 -4.82 116.55 114.61 3hum n ASP 197 Ca 0.14 -1.86 -0.39 0.00 -0.01 0.00 0.00 54.79 52.67 3hum n ASP 197 Cb 1.28 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 41.31 3hum n ASP 197 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3hum s GLN 198 N -0.87 4.40 -0.19 0.11 -0.21 0.36 -4.99 119.66 118.28 3hum s GLN 198 Ca 0.01 0.73 -0.05 0.00 0.02 0.00 0.00 55.36 56.07 3hum s GLN 198 Cb 0.01 -3.45 -0.21 0.00 1.00 0.00 0.00 33.01 30.36 3hum s GLN 198 CO 0.01 0.09 0.09 0.39 -2.12 0.00 0.00 175.29 173.75 3hum n GLU 199 N 3.77 0.70 -4.30 2.91 -0.58 -1.26 -4.41 120.64 117.47 3hum n GLU 199 Ca -0.03 0.25 -0.33 0.00 -0.42 0.00 0.00 57.16 56.62 3hum n GLU 199 Cb 0.51 -1.63 -0.09 0.00 -0.57 0.00 0.00 31.44 29.67 3hum n GLU 199 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hum s ARG 200 N -2.53 2.86 0.36 3.49 0.52 -1.26 -2.99 118.95 119.39 3hum s ARG 200 Ca -0.29 -0.55 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 3hum s ARG 200 Cb 0.08 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 3hum s ARG 200 CO 0.68 0.65 0.65 0.99 0.02 0.00 0.00 175.30 178.29 3hum s THR 201 N -1.04 4.94 -0.08 0.02 2.01 -1.26 -4.67 115.64 115.55 3hum s THR 201 Ca 0.18 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3hum s THR 201 Cb -0.11 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3hum s THR 201 CO 0.08 -0.47 0.23 -0.69 -0.69 0.00 0.00 174.62 173.08 3hum s VAL 202 N -2.28 0.01 0.00 3.82 1.01 -0.71 -4.39 120.40 117.85 3hum s VAL 202 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3hum s VAL 202 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3hum s VAL 202 CO 0.33 -0.02 0.00 1.07 0.00 0.00 0.00 175.10 176.47 3hum n THR 203 N 2.84 0.00 -4.23 3.92 5.66 -0.57 -0.89 114.28 121.01 3hum n THR 203 Ca -0.13 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.74 3hum n THR 203 Cb 0.58 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 3hum n THR 203 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hum s THR 204 N -2.87 0.73 0.19 1.09 -4.23 -1.26 -0.20 115.64 109.09 3hum s THR 204 Ca 0.00 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 3hum s THR 204 Cb 0.00 -1.99 0.10 0.00 1.34 0.00 0.00 72.50 71.95 3hum s THR 204 CO 0.00 -0.60 1.72 0.00 -0.54 0.00 0.00 174.62 175.21 3hum h ALA 205 N 2.77 0.57 -0.94 3.99 0.00 -1.72 -1.38 119.26 122.54 3hum h ALA 205 Ca -0.36 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hum h ALA 205 Cb 1.19 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3hum h ALA 205 CO 0.63 -0.29 0.60 -0.09 0.00 0.00 0.00 179.25 180.10 3hum h ARG 206 N 0.27 1.03 -0.25 0.00 2.43 -1.16 0.11 114.38 116.80 3hum h ARG 206 Ca 0.25 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3hum h ARG 206 Cb 0.32 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3hum h ARG 206 CO -0.30 0.68 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.11 3hum h ASP 207 N 1.06 0.69 0.45 -3.80 5.19 -1.66 -0.96 116.42 117.39 3hum h ASP 207 Ca 0.42 -0.49 -0.05 0.00 -0.62 0.00 0.00 57.03 56.29 3hum h ASP 207 Cb 0.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3hum h ASP 207 CO -0.19 1.04 -0.26 1.88 -3.12 0.00 0.00 179.24 178.59 3hum h TYR 208 N 0.36 0.00 -0.20 4.55 -1.99 -1.20 -0.15 116.97 118.33 3hum h TYR 208 Ca 0.04 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.65 3hum h TYR 208 Cb 0.86 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 3hum h TYR 208 CO 0.08 0.26 -0.38 0.00 -0.00 0.00 0.00 178.16 178.11 3hum h ALA 209 N 1.74 0.96 -0.03 3.88 0.00 -0.42 -0.70 119.26 124.69 3hum h ALA 209 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3hum h ALA 209 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hum h ALA 209 CO 0.03 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.72 3hum h ILE 210 N 0.38 1.27 -0.55 0.00 2.04 -0.53 -2.17 117.51 117.96 3hum h ILE 210 Ca 0.04 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.18 3hum h ILE 210 Cb 0.84 1.78 -0.11 0.00 -0.74 0.00 0.00 36.82 38.60 3hum h ILE 210 CO 0.07 0.22 -0.16 0.25 0.00 0.00 0.00 178.15 178.53 3hum h LEU 211 N -0.28 -0.60 -1.28 1.44 5.85 -0.93 -0.55 115.31 118.96 3hum h LEU 211 Ca 0.01 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.09 3hum h LEU 211 Cb 0.36 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3hum h LEU 211 CO 0.00 -0.20 0.61 0.44 -0.34 0.00 0.00 178.44 178.94 3hum h ASP 212 N -0.03 0.60 -0.43 1.25 3.32 -0.88 -0.85 116.42 119.40 3hum h ASP 212 Ca 0.26 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 3hum h ASP 212 Cb 0.43 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hum h ASP 212 CO -0.58 0.24 -0.29 -0.07 -1.72 0.00 0.00 179.24 176.82 3hum h LEU 213 N 0.60 1.01 -0.07 1.55 3.38 -0.45 -2.06 115.31 119.26 3hum h LEU 213 Ca 0.51 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3hum h LEU 213 Cb 0.99 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hum h LEU 213 CO -0.26 1.22 -0.30 0.45 0.09 0.00 0.00 178.44 179.64 3hum h HIS 214 N 0.81 0.44 -0.70 1.13 3.86 -1.19 -2.77 115.15 116.73 3hum h HIS 214 Ca 0.09 -0.19 0.07 0.00 -1.16 0.00 0.00 60.37 59.18 3hum h HIS 214 Cb 0.88 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 3hum h HIS 214 CO 0.06 0.91 0.39 0.28 0.86 0.00 0.00 177.93 180.43 3hum h VAL 215 N -0.15 0.95 -0.03 2.45 2.07 -1.18 0.52 116.25 120.87 3hum h VAL 215 Ca -0.02 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3hum h VAL 215 Cb 0.94 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3hum h VAL 215 CO 0.06 0.13 -0.35 0.40 0.02 0.00 0.00 177.57 177.83 3hum h ILE 216 N 0.70 1.26 0.08 4.57 1.08 -1.36 -0.51 117.51 123.33 3hum h ILE 216 Ca 0.32 -1.25 -0.32 0.00 -0.39 0.00 0.00 64.86 63.22 3hum h ILE 216 Cb 0.23 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 3hum h ILE 216 CO -0.20 0.36 -1.75 1.17 -0.69 0.00 0.00 178.15 177.04 3hum n LYS 217 N -4.11 0.69 -0.02 2.37 3.00 -0.57 -3.86 118.16 115.67 3hum n LYS 217 Ca -0.02 0.37 0.08 0.00 -0.00 0.00 0.00 58.31 58.74 3hum n LYS 217 Cb 0.40 -1.72 -0.14 0.00 0.00 0.00 0.00 35.03 33.57 3hum n LYS 217 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3hum n GLU 218 N -3.83 0.62 -2.86 1.64 1.02 0.17 -4.63 120.64 112.77 3hum n GLU 218 Ca -0.32 -0.16 -0.19 0.00 -0.02 0.00 0.00 57.16 56.47 3hum n GLU 218 Cb 0.92 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 3hum n GLU 218 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hum n THR 219 N -2.19 1.32 0.27 2.62 -2.24 -0.20 -4.91 114.28 108.96 3hum n THR 219 Ca -0.06 -4.46 0.15 0.00 -2.27 0.00 0.00 64.05 57.42 3hum n THR 219 Cb 0.53 -0.45 0.82 0.00 -2.10 0.00 0.00 70.33 69.14 3hum n THR 219 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hum h PRO 220 N 2.92 0.00 0.00 -0.78 0.13 -1.66 0.21 132.00 132.82 3hum h PRO 220 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hum h PRO 220 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3hum h PRO 220 CO 0.63 0.00 -0.02 -0.22 -0.23 0.00 0.00 178.00 178.16 3hum h LYS 221 N 0.00 0.00 0.00 0.86 1.63 -1.91 -2.40 116.57 114.76 3hum h LYS 221 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3hum h LYS 221 Cb 0.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3hum h LYS 221 CO 0.00 0.02 -0.07 0.97 -3.45 0.00 0.00 179.45 176.92 3hum h ILE 222 N 0.00 0.74 -0.03 2.00 2.10 -0.91 -2.11 117.51 119.30 3hum h ILE 222 Ca -0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.66 3hum h ILE 222 Cb 0.09 1.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3hum h ILE 222 CO 0.00 0.07 -0.01 -0.07 -1.08 0.00 0.00 178.15 177.06 3hum h LEU 223 N 0.00 0.03 -1.91 2.19 3.38 -1.64 -1.67 115.31 115.69 3hum h LEU 223 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hum h LEU 223 Cb 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hum h LEU 223 CO 0.01 0.05 -0.12 0.44 0.09 0.00 0.00 178.44 178.91 3hum h ASP 224 N 0.04 0.00 0.13 -0.43 3.32 -1.59 -1.95 116.42 115.93 3hum h ASP 224 Ca 0.01 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 3hum h ASP 224 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hum h ASP 224 CO 0.00 0.12 -1.39 -0.26 -1.72 0.00 0.00 179.24 175.99 3hum h PHE 225 N 0.00 0.51 0.00 4.55 0.04 -1.47 -3.38 116.94 117.18 3hum h PHE 225 Ca -0.00 -0.37 -0.06 0.00 2.80 0.00 0.00 57.97 60.34 3hum h PHE 225 Cb 0.25 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3hum h PHE 225 CO 0.00 1.54 -0.26 1.79 -0.60 0.00 0.00 178.31 180.78 3hum h THR 226 N -0.24 0.49 0.00 -1.55 1.35 -1.25 -2.84 112.91 108.87 3hum h THR 226 Ca -0.29 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3hum h THR 226 Cb 1.80 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3hum h THR 226 CO 0.09 0.26 0.00 2.29 -0.25 0.00 0.00 175.52 177.91 3hum n LYS 227 N -3.21 0.05 -2.16 4.72 2.85 -0.75 -4.42 118.16 115.24 3hum n LYS 227 Ca 0.02 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.91 3hum n LYS 227 Cb 0.59 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 3hum n LYS 227 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3hum s GLN 228 N -3.02 4.28 0.23 -1.58 -1.52 -1.07 -4.87 119.66 112.11 3hum s GLN 228 Ca 0.13 2.06 0.12 0.00 -1.95 0.00 0.00 55.36 55.72 3hum s GLN 228 Cb 0.17 -3.47 0.06 0.00 -0.22 0.00 0.00 33.01 29.56 3hum s GLN 228 CO 0.54 -0.55 1.43 -0.07 -0.25 0.00 0.00 175.29 176.38 3hum h LEU 229 N 7.87 0.00 -5.47 2.90 3.38 -1.90 -3.43 115.31 118.66 3hum h LEU 229 Ca -0.40 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3hum h LEU 229 Cb 1.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 3hum h LEU 229 CO 0.89 0.68 -0.23 0.00 0.09 0.00 0.00 178.44 179.87 3hum s ALA 230 N -2.99 -3.70 0.10 1.53 0.00 -1.25 0.27 121.76 115.72 3hum s ALA 230 Ca 0.02 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 3hum s ALA 230 Cb 0.09 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 3hum s ALA 230 CO 0.77 -2.40 0.37 -1.25 0.00 0.00 0.00 175.76 173.25 3hum s PRO 231 N 1.88 3.66 -0.14 0.00 0.04 -1.24 -4.74 135.00 134.46 3hum s PRO 231 Ca 0.15 -0.00 -0.03 0.00 0.04 0.00 0.00 61.00 61.16 3hum s PRO 231 Cb 0.01 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 3hum s PRO 231 CO -0.12 0.52 -0.04 0.99 0.04 0.00 0.00 177.00 178.39 3hum s THR 232 N -1.53 3.84 -0.18 1.26 2.01 -1.26 -1.26 115.64 118.51 3hum s THR 232 Ca 0.37 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 3hum s THR 232 Cb -0.13 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.78 3hum s THR 232 CO 0.21 0.51 0.64 0.28 -0.69 0.00 0.00 174.62 175.58 3hum s THR 233 N 0.19 0.00 -1.43 -0.82 -1.32 -0.01 -4.93 115.64 107.31 3hum s THR 233 Ca -0.02 -0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.37 3hum s THR 233 Cb -0.14 -0.92 0.01 0.00 -1.51 0.00 0.00 72.50 69.94 3hum s THR 233 CO 0.03 -0.01 0.29 1.41 -2.21 0.00 0.00 174.62 174.12 3hum n HIS 234 N 2.19 -1.45 -1.08 9.09 8.25 -1.26 -1.50 115.22 129.46 3hum n HIS 234 Ca -0.16 0.56 -0.03 0.00 -0.26 0.00 0.00 57.72 57.84 3hum n HIS 234 Cb 0.56 -3.14 -0.01 0.00 1.12 0.00 0.00 29.99 28.51 3hum n HIS 234 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hum n ALA 235 N -4.57 -0.04 -2.93 -1.41 0.00 -1.26 -4.99 120.51 105.30 3hum n ALA 235 Ca -0.28 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 3hum n ALA 235 Cb 0.67 -0.70 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 3hum n ALA 235 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hum s VAL 236 N -1.92 0.81 -0.20 0.00 1.01 -0.56 -5.14 120.40 114.39 3hum s VAL 236 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3hum s VAL 236 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3hum s VAL 236 CO 0.00 0.25 0.06 -0.89 0.00 0.00 0.00 175.10 174.51 3hum s THR 237 N 0.08 4.54 -0.93 3.92 2.01 -1.26 -0.83 115.64 123.17 3hum s THR 237 Ca -0.01 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 3hum s THR 237 Cb -0.07 -3.07 0.24 0.00 0.01 0.00 0.00 72.50 69.61 3hum s THR 237 CO 0.00 0.42 0.88 -0.31 -0.69 0.00 0.00 174.62 174.92 3hum s TYR 238 N 0.80 3.94 -0.13 4.92 2.02 -0.39 -4.92 117.35 123.59 3hum s TYR 238 Ca 0.03 -2.30 -0.32 0.00 -0.37 0.00 0.00 57.07 54.11 3hum s TYR 238 Cb -0.14 -3.79 -0.10 0.00 -0.40 0.00 0.00 41.96 37.54 3hum s TYR 238 CO 0.02 -0.96 2.02 0.66 -1.57 0.00 0.00 175.55 175.71 3hum n TYR 239 N 3.45 2.18 -1.65 2.71 4.01 -1.26 -3.62 117.16 122.98 3hum n TYR 239 Ca 0.17 -0.06 -0.40 0.00 -0.16 0.00 0.00 57.90 57.46 3hum n TYR 239 Cb 0.44 -2.68 0.02 0.00 -0.31 0.00 0.00 39.34 36.81 3hum n TYR 239 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3hum n THR 240 N 6.07 2.89 -0.82 -0.72 5.66 0.14 -4.89 114.28 122.60 3hum n THR 240 Ca 0.26 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.84 3hum n THR 240 Cb 0.34 -1.32 0.28 0.00 -1.55 0.00 0.00 70.33 68.08 3hum n THR 240 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3hum n PHE 241 N -0.75 1.15 -2.97 1.09 1.16 -1.26 -4.78 117.46 111.10 3hum n PHE 241 Ca 0.10 -0.77 -0.44 0.00 -1.87 0.00 0.00 57.45 54.47 3hum n PHE 241 Cb 0.42 -0.30 -0.02 0.00 -1.61 0.00 0.00 39.48 37.97 3hum n PHE 241 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3hum s ASN 242 N -1.48 6.82 0.15 5.98 3.84 -1.26 -4.90 114.94 124.10 3hum s ASN 242 Ca 0.43 -2.49 0.20 0.00 0.21 0.00 0.00 52.86 51.22 3hum s ASN 242 Cb 0.32 -2.38 0.85 0.00 -0.55 0.00 0.00 41.25 39.49 3hum s ASN 242 CO 0.13 -0.89 1.63 0.49 -2.79 0.00 0.00 177.10 175.67 3hum n PHE 243 N 5.91 0.49 1.36 0.43 3.72 -1.26 -2.46 117.46 125.66 3hum n PHE 243 Ca 0.28 0.19 0.14 0.00 -0.05 0.00 0.00 57.45 58.01 3hum n PHE 243 Cb 0.46 -0.81 0.59 0.00 -0.94 0.00 0.00 39.48 38.78 3hum n PHE 243 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hum n SER 244 N -1.95 0.47 -4.74 4.37 7.64 -1.26 -0.33 113.62 117.83 3hum n SER 244 Ca 0.03 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.97 3hum n SER 244 Cb 0.22 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3hum n SER 244 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hum n LEU 245 N -0.99 4.19 -4.60 -3.43 4.77 -1.03 -0.27 117.00 115.64 3hum n LEU 245 Ca 0.14 1.20 -0.54 0.00 -0.03 0.00 0.00 56.01 56.78 3hum n LEU 245 Cb 0.29 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 39.75 3hum n LEU 245 CO 0.24 -0.09 0.92 1.21 -1.33 0.00 0.00 177.39 178.34 3hum n GLU 246 N 0.90 0.96 -0.35 3.23 4.07 -0.50 0.06 120.64 129.01 3hum n GLU 246 Ca 0.04 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3hum n GLU 246 Cb 0.37 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 3hum n GLU 246 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hum n GLY 247 N 2.64 1.62 2.56 8.31 0.00 -1.26 -4.97 105.19 114.09 3hum n GLY 247 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 3hum n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hum n ALA 248 N -0.13 -0.17 -0.32 4.61 0.00 0.11 -4.86 120.51 119.74 3hum n ALA 248 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 53.44 52.31 3hum n ALA 248 Cb 0.00 0.14 0.35 0.00 0.00 0.00 0.00 19.45 19.94 3hum n ALA 248 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hum h LYS 249 N 0.00 0.72 -1.37 0.00 3.64 -1.85 -1.16 116.57 116.55 3hum h LYS 249 Ca -0.23 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.53 3hum h LYS 249 Cb 0.80 -0.16 -0.42 0.00 -0.41 0.00 0.00 32.23 32.04 3hum h LYS 249 CO 0.23 0.48 -0.77 -1.33 -2.27 0.00 0.00 179.45 175.78 3hum n MET 250 N -4.65 3.30 -1.68 1.90 2.81 0.55 -5.06 117.12 114.30 3hum n MET 250 Ca 0.20 -4.38 -0.64 0.00 -1.81 0.00 0.00 57.70 51.08 3hum n MET 250 Cb 0.52 -2.19 -0.09 0.00 -0.71 0.00 0.00 33.22 30.75 3hum n MET 250 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hum n SER 251 N -0.49 1.06 -4.18 7.83 2.88 -0.44 -4.05 113.62 116.23 3hum n SER 251 Ca 0.38 1.17 -0.38 0.00 -1.33 0.00 0.00 58.87 58.71 3hum n SER 251 Cb 0.71 -0.93 -0.11 0.00 -0.75 0.00 0.00 64.21 63.14 3hum n SER 251 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hum s LEU 252 N 2.24 5.15 -0.08 2.46 2.96 0.63 -4.89 118.68 127.15 3hum s LEU 252 Ca 1.00 -1.79 -0.39 0.00 -0.22 0.00 0.00 54.13 52.73 3hum s LEU 252 Cb -1.38 -1.89 -0.18 0.00 0.50 0.00 0.00 46.19 43.25 3hum s LEU 252 CO 0.73 -0.53 1.41 -2.65 -1.32 0.00 0.00 176.35 173.98 3hum n PRO 253 N 4.73 0.78 -0.14 0.98 -0.02 -1.26 -1.79 135.00 138.29 3hum n PRO 253 Ca -0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3hum n PRO 253 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3hum n PRO 253 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hum n GLY 254 N 2.87 0.57 3.66 -1.23 0.00 -1.26 -4.70 105.19 105.09 3hum n GLY 254 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3hum n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hum s THR 255 N -2.31 4.83 -0.01 2.61 2.01 -0.74 -0.99 115.64 121.04 3hum s THR 255 Ca 0.00 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.69 3hum s THR 255 Cb 0.00 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.38 3hum s THR 255 CO 0.00 -0.05 0.91 -0.90 -0.69 0.00 0.00 174.62 173.89 3hum n ASP 256 N 5.72 1.54 -2.61 3.53 5.68 -0.89 -1.41 116.55 128.11 3hum n ASP 256 Ca 0.06 -1.89 -0.03 0.00 -0.50 0.00 0.00 54.79 52.42 3hum n ASP 256 Cb 0.48 -0.05 0.02 0.00 -1.14 0.00 0.00 41.12 40.43 3hum n ASP 256 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hum n GLY 257 N -0.47 0.89 1.54 6.12 0.00 -1.24 -1.88 105.19 110.15 3hum n GLY 257 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3hum n GLY 257 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hum n LEU 258 N 0.00 0.42 -3.69 0.99 4.77 0.12 -2.47 117.00 117.14 3hum n LEU 258 Ca -0.03 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 3hum n LEU 258 Cb 0.43 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3hum n LEU 258 CO 0.17 -0.77 0.14 -0.75 -1.33 0.00 0.00 177.39 174.85 3hum s LYS 259 N -1.95 0.50 0.59 3.23 2.47 -0.50 -4.82 119.74 119.27 3hum s LYS 259 Ca 0.00 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.26 3hum s LYS 259 Cb 0.00 0.09 0.05 0.00 -1.46 0.00 0.00 37.83 36.51 3hum s LYS 259 CO 0.00 -0.13 0.83 0.95 0.16 0.00 0.00 175.35 177.15 3hum s THR 260 N 1.15 2.55 -0.21 3.43 -4.23 -1.26 -0.47 115.64 116.60 3hum s THR 260 Ca -0.07 -0.62 -0.27 0.00 -1.18 0.00 0.00 61.69 59.55 3hum s THR 260 Cb -0.06 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.94 3hum s THR 260 CO -0.11 0.00 0.86 -0.83 -0.54 0.00 0.00 174.62 174.01 3hum s GLY 261 N -4.48 -0.37 -0.06 3.99 0.00 -0.79 -3.20 107.32 102.41 3hum s GLY 261 Ca 0.59 2.11 -0.29 0.00 0.00 0.00 0.00 44.72 47.12 3hum s GLY 261 CO 0.40 1.50 0.65 -1.35 0.00 0.00 0.00 173.10 174.30 3hum s SER 262 N -0.22 -0.62 0.08 1.64 1.04 -1.26 -0.73 113.70 113.63 3hum s SER 262 Ca -0.01 0.71 -0.27 0.00 0.48 0.00 0.00 55.95 56.85 3hum s SER 262 Cb -0.03 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.75 3hum s SER 262 CO 0.00 -0.57 1.12 -0.94 0.98 0.00 0.00 173.24 173.83 3hum s SER 263 N -1.10 -0.09 0.30 7.02 1.04 -1.11 -4.68 113.70 115.08 3hum s SER 263 Ca -0.11 -0.33 0.26 0.00 0.48 0.00 0.00 55.95 56.26 3hum s SER 263 Cb -0.01 0.34 0.98 0.00 0.10 0.00 0.00 66.02 67.43 3hum s SER 263 CO 0.09 -0.64 1.76 -2.24 0.98 0.00 0.00 173.24 173.19 3hum h ASP 264 N 2.00 0.00 0.00 7.02 3.04 -1.95 -0.23 116.42 126.31 3hum h ASP 264 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 3hum h ASP 264 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3hum h ASP 264 CO 0.28 0.00 -1.89 0.35 -2.04 0.00 0.00 179.24 175.95 3hum n THR 265 N -2.42 0.00 0.18 1.15 -2.24 -1.26 -4.46 114.28 105.23 3hum n THR 265 Ca 0.03 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 3hum n THR 265 Cb 0.30 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3hum n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hum n ALA 266 N -2.18 2.67 -0.92 6.98 0.00 -1.03 -4.86 120.51 121.18 3hum n ALA 266 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hum n ALA 266 Cb 0.51 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3hum n ALA 266 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hum n ASN 267 N -2.51 0.00 -4.33 0.00 3.02 -0.13 -3.40 115.26 107.91 3hum n ASN 267 Ca -0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 3hum n ASN 267 Cb 0.53 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.58 3hum n ASN 267 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hum s TYR 268 N 0.00 3.23 0.17 3.10 2.02 -0.37 -2.74 117.35 122.77 3hum s TYR 268 Ca 0.00 -1.13 0.06 0.00 -0.37 0.00 0.00 57.07 55.63 3hum s TYR 268 Cb 0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 3hum s TYR 268 CO 0.00 -0.66 0.08 -0.80 -1.57 0.00 0.00 175.55 172.60 3hum s ASN 269 N 1.49 5.20 0.17 2.29 0.02 0.10 -1.11 114.94 123.10 3hum s ASN 269 Ca 0.01 -0.25 -0.15 0.00 -1.02 0.00 0.00 52.86 51.44 3hum s ASN 269 Cb -0.19 -1.26 0.02 0.00 0.02 0.00 0.00 41.25 39.85 3hum s ASN 269 CO 0.05 0.08 0.44 -1.38 0.02 0.00 0.00 177.10 176.31 3hum s HIS 270 N -1.75 -0.05 -0.09 2.20 -3.43 -0.58 -1.88 115.29 109.71 3hum s HIS 270 Ca 0.30 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.28 3hum s HIS 270 Cb -0.10 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 31.34 3hum s HIS 270 CO 0.21 -0.82 -0.13 -0.08 -2.00 0.00 0.00 174.74 171.92 3hum s THR 271 N -3.87 1.31 0.13 -5.38 -1.32 0.38 -0.87 115.64 106.01 3hum s THR 271 Ca 0.09 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3hum s THR 271 Cb 0.01 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 3hum s THR 271 CO -0.05 0.40 -0.10 0.27 -2.21 0.00 0.00 174.62 172.94 3hum s ILE 272 N 0.92 1.05 -0.01 5.08 -4.36 -0.40 0.12 121.20 123.59 3hum s ILE 272 Ca -0.09 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3hum s ILE 272 Cb -0.15 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.82 3hum s ILE 272 CO 0.00 -0.74 -0.04 0.28 0.24 0.00 0.00 174.94 174.68 3hum s THR 273 N -3.24 0.35 -0.01 8.37 -1.32 -1.03 -0.05 115.64 118.71 3hum s THR 273 Ca 0.14 -0.14 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 3hum s THR 273 Cb 0.02 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 3hum s THR 273 CO -0.01 0.12 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.58 3hum s THR 274 N 0.19 0.48 -0.04 5.08 2.01 0.26 -2.09 115.64 121.53 3hum s THR 274 Ca -0.02 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.77 3hum s THR 274 Cb -0.05 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.05 3hum s THR 274 CO -0.00 0.15 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.31 3hum s LYS 275 N 0.11 0.50 -0.05 4.92 2.20 -0.16 0.07 119.74 127.34 3hum s LYS 275 Ca -0.01 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 3hum s LYS 275 Cb -0.05 -0.62 0.02 0.00 -1.51 0.00 0.00 37.83 35.66 3hum s LYS 275 CO -0.00 -0.12 -0.06 1.03 -0.36 0.00 0.00 175.35 175.84 3hum s ARG 276 N 1.01 0.98 5.93 4.03 0.52 -0.46 -4.46 118.95 126.51 3hum s ARG 276 Ca -0.10 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3hum s ARG 276 Cb -0.14 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.40 3hum s ARG 276 CO -0.01 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.66 3hum n GLY 277 N 3.99 3.42 0.70 -3.53 0.00 -1.26 -0.46 105.19 108.06 3hum n GLY 277 Ca -0.25 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3hum n GLY 277 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hum n LYS 278 N 14.00 1.95 -3.32 1.61 5.02 -1.26 -4.87 118.16 131.29 3hum n LYS 278 Ca 0.00 -1.40 -0.43 0.00 -2.02 0.00 0.00 58.31 54.47 3hum n LYS 278 Cb 0.00 -1.46 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 3hum n LYS 278 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3hum s PHE 279 N -1.88 3.17 -0.00 2.13 5.36 0.39 -5.05 117.98 122.10 3hum s PHE 279 Ca 0.34 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 3hum s PHE 279 Cb 0.20 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.96 3hum s PHE 279 CO 0.31 -0.66 0.01 0.50 -1.46 0.00 0.00 175.22 173.91 3hum s ARG 280 N 2.17 2.83 -0.01 10.12 3.52 -1.26 -1.35 118.95 134.97 3hum s ARG 280 Ca 0.13 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3hum s ARG 280 Cb -0.17 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 3hum s ARG 280 CO 0.14 0.63 0.01 0.42 -0.81 0.00 0.00 175.30 175.69 3hum s ILE 281 N -1.09 -0.01 0.02 4.11 1.01 0.11 -0.99 121.20 124.36 3hum s ILE 281 Ca 0.20 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3hum s ILE 281 Cb -0.12 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 3hum s ILE 281 CO 0.10 0.02 -0.03 0.20 0.00 0.00 0.00 174.94 175.24 3hum s ASN 282 N 0.20 4.91 0.00 3.58 0.01 0.37 0.90 114.94 124.91 3hum s ASN 282 Ca -0.02 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3hum s ASN 282 Cb -0.02 -1.20 -0.00 0.00 0.41 0.00 0.00 41.25 40.43 3hum s ASN 282 CO -0.01 0.25 -0.01 -1.58 -1.51 0.00 0.00 177.10 174.25 3hum s GLN 283 N -1.70 0.11 -0.02 -0.60 0.74 0.93 -0.72 119.66 118.40 3hum s GLN 283 Ca 0.20 -0.09 0.05 0.00 0.05 0.00 0.00 55.36 55.57 3hum s GLN 283 Cb -0.11 -0.07 -0.01 0.00 1.10 0.00 0.00 33.01 33.92 3hum s GLN 283 CO 0.11 0.02 -0.17 0.08 -0.55 0.00 0.00 175.29 174.78 3hum s VAL 284 N -0.15 1.32 -0.09 1.34 1.01 -0.12 -1.28 120.40 122.44 3hum s VAL 284 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3hum s VAL 284 Cb -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3hum s VAL 284 CO -0.00 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 3hum s ILE 285 N -0.33 1.20 -0.09 2.22 1.01 -0.05 -0.95 121.20 124.21 3hum s ILE 285 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3hum s ILE 285 Cb -0.07 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3hum s ILE 285 CO -0.00 0.38 -0.11 -0.04 0.00 0.00 0.00 174.94 175.17 3hum s MET 286 N 1.03 2.95 -0.58 2.79 -1.94 -0.72 -1.52 119.30 121.30 3hum s MET 286 Ca -0.07 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 3hum s MET 286 Cb -0.15 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.12 3hum s MET 286 CO -0.01 0.48 0.19 0.41 -0.01 0.00 0.00 175.02 176.08 3hum n GLY 287 N 2.75 0.22 3.78 -0.03 0.00 -1.18 -1.12 105.19 109.61 3hum n GLY 287 Ca -0.18 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3hum n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hum s ALA 288 N -2.71 2.79 0.00 4.61 0.00 -0.26 -2.75 121.76 123.44 3hum s ALA 288 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3hum s ALA 288 Cb -0.04 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hum s ALA 288 CO 0.12 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3hum n GLY 289 N 0.02 0.96 2.86 0.00 0.00 -0.81 -1.23 105.19 107.00 3hum n GLY 289 Ca 0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3hum n GLY 289 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hum s ASP 290 N -4.00 0.67 0.10 1.61 3.68 0.81 -4.72 116.67 114.83 3hum s ASP 290 Ca 0.00 0.08 -0.13 0.00 2.13 0.00 0.00 52.55 54.63 3hum s ASP 290 Cb 0.00 0.82 -0.13 0.00 -1.45 0.00 0.00 42.92 42.16 3hum s ASP 290 CO 0.00 -0.31 1.34 0.22 0.13 0.00 0.00 175.17 176.55 3hum h TYR 291 N 8.24 1.05 -0.02 -5.34 3.20 -1.85 0.66 116.97 122.91 3hum h TYR 291 Ca -0.18 -0.42 -0.22 0.00 3.14 0.00 0.00 58.73 61.04 3hum h TYR 291 Cb 1.15 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3hum h TYR 291 CO 0.14 1.25 -0.91 0.87 -1.64 0.00 0.00 178.16 177.86 3hum h LYS 292 N 0.55 0.45 0.00 1.82 1.57 -1.90 -3.39 116.57 115.66 3hum h LYS 292 Ca -0.02 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hum h LYS 292 Cb 1.27 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3hum h LYS 292 CO 0.14 1.11 -0.55 0.09 -0.57 0.00 0.00 179.45 179.67 3hum n ASN 293 N -3.77 1.41 0.00 0.86 3.02 -1.18 -4.89 115.26 110.70 3hum n ASN 293 Ca -0.07 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3hum n ASN 293 Cb 0.82 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 3hum n ASN 293 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3hum n LEU 294 N -1.29 0.41 0.00 3.41 7.94 -0.20 -5.05 117.00 122.22 3hum n LEU 294 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hum n LEU 294 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3hum n LEU 294 CO 0.10 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 3hum n GLY 295 N 1.83 -0.49 0.00 -3.96 0.00 0.21 -4.90 105.19 97.88 3hum n GLY 295 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3hum n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hum n GLY 296 N 0.00 0.49 0.29 -0.02 0.00 -1.26 -0.13 105.19 104.55 3hum n GLY 296 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3hum n GLY 296 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hum h GLU 297 N 0.00 -0.33 0.00 1.61 4.81 -1.96 0.58 114.58 119.30 3hum h GLU 297 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hum h GLU 297 Cb 0.00 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3hum h GLU 297 CO 0.00 -0.22 -0.11 1.57 -0.73 0.00 0.00 179.01 179.53 3hum h LYS 298 N -0.34 0.00 -0.27 1.92 2.10 -2.00 -2.76 116.57 115.22 3hum h LYS 298 Ca 0.02 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.61 3hum h LYS 298 Cb 0.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 3hum h LYS 298 CO -0.29 0.11 -0.09 1.96 -2.00 0.00 0.00 179.45 179.13 3hum h GLN 299 N 0.00 0.43 -0.52 0.07 7.50 -1.87 -1.59 115.11 119.13 3hum h GLN 299 Ca -0.00 -0.11 0.10 0.00 0.50 0.00 0.00 58.65 59.14 3hum h GLN 299 Cb 0.92 -0.05 -0.08 0.00 0.05 0.00 0.00 27.48 28.32 3hum h GLN 299 CO 0.01 0.54 0.06 -0.09 -1.50 0.00 0.00 178.83 177.85 3hum h ARG 300 N 0.41 0.18 -0.01 1.46 2.43 -0.58 -1.13 114.38 117.14 3hum h ARG 300 Ca 0.08 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 3hum h ARG 300 Cb 0.42 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3hum h ARG 300 CO 0.02 0.12 -0.66 -0.91 -1.51 0.00 0.00 179.97 177.03 3hum h ASN 301 N 0.19 0.07 0.27 -3.80 4.21 -1.45 0.22 115.58 115.28 3hum h ASN 301 Ca 0.27 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 3hum h ASN 301 Cb 0.39 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 3hum h ASN 301 CO -0.38 0.71 -0.13 0.24 -1.29 0.00 0.00 177.43 176.57 3hum h MET 302 N 0.04 -0.35 -0.32 0.81 2.86 -0.77 0.47 114.93 117.68 3hum h MET 302 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hum h MET 302 Cb 1.18 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 3hum h MET 302 CO 0.09 -0.19 0.21 0.52 1.06 0.00 0.00 176.91 178.60 3hum h MET 303 N -0.43 0.41 0.00 1.72 2.86 -0.96 -0.92 114.93 117.61 3hum h MET 303 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hum h MET 303 Cb 0.33 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3hum h MET 303 CO 0.06 0.27 -0.02 0.78 1.06 0.00 0.00 176.91 179.07 3hum h GLY 304 N 0.43 -0.02 1.00 8.32 0.00 -0.40 0.02 103.07 112.42 3hum h GLY 304 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3hum h GLY 304 CO -0.03 -0.02 0.12 3.43 0.00 0.00 0.00 176.54 180.05 3hum h ASN 305 N -0.03 0.22 0.11 0.19 4.21 0.02 -0.72 115.58 119.58 3hum h ASN 305 Ca 0.01 -0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.53 3hum h ASN 305 Cb 0.04 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 3hum h ASN 305 CO -0.02 0.17 -0.37 0.00 -1.29 0.00 0.00 177.43 175.92 3hum h ALA 306 N 1.06 -0.63 -0.76 -0.83 0.00 -0.94 0.71 119.26 117.88 3hum h ALA 306 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hum h ALA 306 Cb -0.02 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3hum h ALA 306 CO -0.01 -0.92 0.50 -0.07 0.00 0.00 0.00 179.25 178.75 3hum h LEU 307 N -0.59 0.50 0.11 0.00 3.38 -0.80 0.11 115.31 118.02 3hum h LEU 307 Ca 0.03 0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 3hum h LEU 307 Cb 0.62 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.32 3hum h LEU 307 CO -0.22 0.28 -1.25 -0.03 0.09 0.00 0.00 178.44 177.30 3hum h MET 308 N 0.55 0.50 -0.73 1.13 4.05 -0.48 -0.10 114.93 119.84 3hum h MET 308 Ca 0.37 -0.72 -0.06 0.00 -0.28 0.00 0.00 59.70 59.01 3hum h MET 308 Cb 0.66 0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 3hum h MET 308 CO -0.13 1.32 0.21 0.93 0.23 0.00 0.00 176.91 179.47 3hum h GLU 309 N 0.20 1.15 -0.15 0.39 4.39 -0.17 -1.88 114.58 118.51 3hum h GLU 309 Ca -0.17 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3hum h GLU 309 Cb 1.93 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 3hum h GLU 309 CO 0.23 0.98 0.05 -0.09 -1.16 0.00 0.00 179.01 179.03 3hum h ARG 310 N 1.10 0.22 -0.97 2.33 2.43 -0.71 0.71 114.38 119.50 3hum h ARG 310 Ca 0.23 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 3hum h ARG 310 Cb 0.33 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.76 3hum h ARG 310 CO -0.00 0.33 0.61 0.77 -1.51 0.00 0.00 179.97 180.16 3hum h SER 311 N 0.07 0.91 0.97 -3.80 0.02 -0.71 -0.13 113.55 110.88 3hum h SER 311 Ca 0.05 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3hum h SER 311 Cb 0.19 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hum h SER 311 CO -0.00 0.52 -0.05 -0.26 -1.14 0.00 0.00 176.83 175.90 3hum h PHE 312 N 1.01 0.00 -0.01 3.45 0.04 -0.96 -0.88 116.94 119.59 3hum h PHE 312 Ca 0.46 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.16 3hum h PHE 312 Cb 0.37 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3hum h PHE 312 CO -0.01 0.05 -0.29 0.22 -0.60 0.00 0.00 178.31 177.68 3hum h ASP 313 N 0.00 0.27 0.84 2.17 3.58 0.25 -3.37 116.42 120.15 3hum h ASP 313 Ca -0.00 -0.75 -0.18 0.00 0.42 0.00 0.00 57.03 56.52 3hum h ASP 313 Cb 0.55 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 3hum h ASP 313 CO 0.01 0.98 -0.86 1.56 -2.88 0.00 0.00 179.24 178.05 3hum h GLN 314 N -0.41 0.01 -6.26 0.28 4.20 -0.84 -3.43 115.11 108.67 3hum h GLN 314 Ca -0.03 -0.02 -0.59 0.00 0.06 0.00 0.00 58.65 58.07 3hum h GLN 314 Cb 1.02 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.68 3hum h GLN 314 CO 0.06 0.87 -0.71 0.71 -0.67 0.00 0.00 178.83 179.08 3hum s TYR 315 N -3.05 2.50 0.03 2.96 2.02 -0.36 0.99 117.35 122.44 3hum s TYR 315 Ca -0.00 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3hum s TYR 315 Cb 0.11 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3hum s TYR 315 CO 0.80 0.64 -0.03 -1.59 -1.57 0.00 0.00 175.55 173.80 3hum s LYS 316 N -3.46 0.36 -0.20 -0.62 -2.85 -0.11 -4.63 119.74 108.24 3hum s LYS 316 Ca 0.29 -0.71 -0.02 0.00 -1.00 0.00 0.00 55.97 54.54 3hum s LYS 316 Cb -0.06 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 3hum s LYS 316 CO 0.17 -0.06 -0.11 -0.47 0.10 0.00 0.00 175.35 174.98 3hum s TYR 317 N -1.83 2.87 0.07 1.78 5.04 -1.26 -1.45 117.35 122.57 3hum s TYR 317 Ca -0.12 -1.22 -0.14 0.00 -2.44 0.00 0.00 57.07 53.15 3hum s TYR 317 Cb -0.07 -2.01 0.02 0.00 0.35 0.00 0.00 41.96 40.25 3hum s TYR 317 CO -0.02 -0.64 0.32 0.14 -1.34 0.00 0.00 175.55 174.01 3hum s VAL 318 N 1.33 0.09 -0.18 3.14 -7.23 -0.77 -4.92 120.40 111.85 3hum s VAL 318 Ca 0.04 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 3hum s VAL 318 Cb -0.14 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 3hum s VAL 318 CO -0.07 -0.39 1.22 -0.75 -0.31 0.00 0.00 175.10 174.80 3hum s LYS 319 N -2.99 4.24 0.00 4.82 2.20 -1.26 -1.40 119.74 125.35 3hum s LYS 319 Ca -0.02 1.61 0.20 0.00 -0.36 0.00 0.00 55.97 57.40 3hum s LYS 319 Cb 0.01 -3.74 0.14 0.00 -1.51 0.00 0.00 37.83 32.72 3hum s LYS 319 CO -0.06 -0.69 1.12 0.44 -0.36 0.00 0.00 175.35 175.80 3hum n ILE 320 N 5.36 0.00 -3.43 5.43 -5.35 0.96 -4.93 119.36 117.41 3hum n ILE 320 Ca 0.14 -0.47 0.01 0.00 -0.27 0.00 0.00 62.75 62.15 3hum n ILE 320 Cb 0.45 1.40 -0.04 0.00 -1.74 0.00 0.00 39.64 39.70 3hum n ILE 320 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3hum s LEU 321 N -1.77 -0.49 0.20 7.28 2.96 -1.15 -4.97 118.68 120.74 3hum s LEU 321 Ca 0.23 0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 54.72 3hum s LEU 321 Cb 0.17 1.59 -0.07 0.00 0.50 0.00 0.00 46.19 48.37 3hum s LEU 321 CO 0.29 -0.10 0.55 -0.44 -1.32 0.00 0.00 176.35 175.32 3hum s SER 322 N 2.18 6.69 0.93 3.68 0.01 -1.26 0.25 113.70 126.17 3hum s SER 322 Ca -0.03 0.97 -0.13 0.00 1.31 0.00 0.00 55.95 58.06 3hum s SER 322 Cb -0.05 -2.25 0.15 0.00 0.21 0.00 0.00 66.02 64.09 3hum s SER 322 CO -0.17 -0.01 1.16 -1.59 0.41 0.00 0.00 173.24 173.04 3hum s LYS 323 N -2.52 0.95 0.00 12.44 -2.85 -1.26 -4.79 119.74 121.71 3hum s LYS 323 Ca 0.44 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 3hum s LYS 323 Cb -0.12 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 3hum s LYS 323 CO 0.20 -2.30 0.00 0.41 0.10 0.00 0.00 175.35 173.76 3hum n GLY 324 N -2.39 0.42 3.76 0.59 0.00 -0.91 -4.93 105.19 101.73 3hum n GLY 324 Ca 0.08 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 3hum n GLY 324 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hum s GLU 325 N -0.47 4.58 0.05 1.61 -1.05 -1.25 0.11 118.70 122.28 3hum s GLU 325 Ca 0.00 1.18 -0.03 0.00 -0.15 0.00 0.00 54.97 55.97 3hum s GLU 325 Cb 0.00 -3.31 -0.03 0.00 -0.44 0.00 0.00 34.13 30.36 3hum s GLU 325 CO 0.00 0.44 0.02 -0.65 0.95 0.00 0.00 175.26 176.03 3hum s GLN 326 N -0.70 0.63 -0.52 -4.83 -1.52 0.22 -4.93 119.66 108.02 3hum s GLN 326 Ca 0.38 -1.09 -0.19 0.00 -1.95 0.00 0.00 55.36 52.51 3hum s GLN 326 Cb -0.22 0.23 0.07 0.00 -0.22 0.00 0.00 33.01 32.87 3hum s GLN 326 CO 0.26 -0.14 0.61 1.03 -0.25 0.00 0.00 175.29 176.80 3hum s ARG 327 N -3.65 3.09 -0.49 2.91 1.81 -1.26 0.20 118.95 121.55 3hum s ARG 327 Ca 0.04 -1.05 -0.11 0.00 -1.72 0.00 0.00 55.73 52.90 3hum s ARG 327 Cb 0.06 -4.14 0.12 0.00 -0.45 0.00 0.00 34.95 30.54 3hum s ARG 327 CO -0.09 -1.27 0.39 0.42 -0.68 0.00 0.00 175.30 174.07 3hum s ILE 328 N 2.51 4.43 -0.75 1.52 1.01 0.08 -4.48 121.20 125.52 3hum s ILE 328 Ca 0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.00 3hum s ILE 328 Cb -0.21 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3hum s ILE 328 CO 0.10 -0.80 0.64 0.59 0.00 0.00 0.00 174.94 175.46 3hum n ASN 329 N 4.94 -3.33 0.00 3.58 3.02 -1.26 -3.31 115.26 118.90 3hum n ASN 329 Ca -0.08 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3hum n ASN 329 Cb 0.41 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3hum n ASN 329 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hum n GLY 330 N -1.19 0.04 3.85 7.41 0.00 -1.26 -4.93 105.19 109.10 3hum n GLY 330 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3hum n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hum s LYS 331 N -0.12 3.33 -0.02 1.61 1.02 -1.21 -5.02 119.74 119.33 3hum s LYS 331 Ca 0.00 -0.26 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 3hum s LYS 331 Cb 0.00 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3hum s LYS 331 CO 0.00 0.73 0.61 0.21 -0.92 0.00 0.00 175.35 175.98 3hum s LYS 332 N -1.34 4.35 0.02 1.68 2.20 -1.26 -0.74 119.74 124.65 3hum s LYS 332 Ca 0.19 0.76 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 3hum s LYS 332 Cb -0.12 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3hum s LYS 332 CO 0.09 0.30 -0.10 0.71 -0.36 0.00 0.00 175.35 175.99 3hum s TYR 333 N 0.03 0.84 -0.41 4.03 1.51 0.52 -4.94 117.35 118.94 3hum s TYR 333 Ca 0.32 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.86 3hum s TYR 333 Cb -0.18 -0.51 0.02 0.00 -0.11 0.00 0.00 41.96 41.18 3hum s TYR 333 CO 0.17 -0.01 0.75 0.71 -1.11 0.00 0.00 175.55 176.06 3hum s TYR 334 N -0.71 3.06 -0.42 2.71 1.51 -1.17 0.71 117.35 123.05 3hum s TYR 334 Ca -0.01 0.30 -0.17 0.00 -1.01 0.00 0.00 57.07 56.18 3hum s TYR 334 Cb -0.06 -3.47 0.02 0.00 -0.11 0.00 0.00 41.96 38.34 3hum s TYR 334 CO 0.00 -0.84 0.41 0.08 -1.11 0.00 0.00 175.55 174.09 3hum s VAL 335 N 3.10 5.12 0.06 0.71 1.01 0.30 -2.69 120.40 128.01 3hum s VAL 335 Ca 0.29 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3hum s VAL 335 Cb -0.13 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3hum s VAL 335 CO 0.19 -0.40 1.19 -0.62 0.00 0.00 0.00 175.10 175.46 3hum n GLU 336 N 5.51 -0.15 -4.19 2.72 -0.58 0.15 -2.15 120.64 121.94 3hum n GLU 336 Ca -0.08 1.18 -0.13 0.00 -0.42 0.00 0.00 57.16 57.71 3hum n GLU 336 Cb 0.47 -1.75 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 3hum n GLU 336 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3hum s ASN 337 N -3.87 0.33 0.32 1.62 0.02 -1.26 -4.81 114.94 107.28 3hum s ASN 337 Ca -0.04 -1.40 -0.29 0.00 -1.02 0.00 0.00 52.86 50.11 3hum s ASN 337 Cb 0.04 0.42 -0.12 0.00 0.02 0.00 0.00 41.25 41.61 3hum s ASN 337 CO 0.22 -0.90 1.43 0.47 0.02 0.00 0.00 177.10 178.33 3hum n ASP 338 N -0.46 3.26 -4.57 -1.22 8.00 -1.26 -4.07 116.55 116.22 3hum n ASP 338 Ca 0.02 1.19 -0.36 0.00 0.71 0.00 0.00 54.79 56.35 3hum n ASP 338 Cb 0.65 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.11 3hum n ASP 338 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hum s LEU 339 N -0.96 3.78 0.15 0.64 2.96 0.14 -4.90 118.68 120.48 3hum s LEU 339 Ca 0.59 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 3hum s LEU 339 Cb -0.54 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3hum s LEU 339 CO 0.57 0.06 0.00 -0.31 -1.32 0.00 0.00 176.35 175.36 3hum s TYR 340 N 1.07 2.90 0.10 5.38 1.51 -1.26 -0.03 117.35 127.02 3hum s TYR 340 Ca 0.05 -0.10 -0.24 0.00 -1.01 0.00 0.00 57.07 55.78 3hum s TYR 340 Cb -0.14 -1.44 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 3hum s TYR 340 CO 0.04 0.50 0.59 0.34 -1.11 0.00 0.00 175.55 175.90 3hum s ASP 341 N -2.73 -0.54 -0.12 2.29 -1.08 -0.50 -4.77 116.67 109.23 3hum s ASP 341 Ca 0.27 0.14 -0.29 0.00 -0.52 0.00 0.00 52.55 52.14 3hum s ASP 341 Cb -0.10 0.56 -0.01 0.00 -1.46 0.00 0.00 42.92 41.91 3hum s ASP 341 CO 0.19 -0.85 1.01 -0.69 0.52 0.00 0.00 175.17 175.34 3hum s VAL 342 N -3.05 4.78 0.08 1.11 1.01 -1.26 -1.85 120.40 121.21 3hum s VAL 342 Ca -0.02 2.04 0.05 0.00 0.00 0.00 0.00 61.98 64.05 3hum s VAL 342 Cb -0.01 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3hum s VAL 342 CO -0.07 -0.01 -0.15 -0.76 0.00 0.00 0.00 175.10 174.12 3hum s LEU 343 N 2.11 2.30 0.36 3.92 1.43 -0.53 -5.00 118.68 123.27 3hum s LEU 343 Ca 0.48 -0.65 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 3hum s LEU 343 Cb -0.18 -0.55 -0.12 0.00 0.03 0.00 0.00 46.19 45.37 3hum s LEU 343 CO 0.17 -0.08 1.35 -2.65 0.23 0.00 0.00 176.35 175.38 3hum n PRO 344 N 1.16 2.29 0.00 1.29 -0.02 -1.26 -0.93 135.00 137.53 3hum n PRO 344 Ca -0.20 0.80 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3hum n PRO 344 Cb 0.54 -2.44 0.38 0.00 -0.02 0.00 0.00 33.50 31.96 3hum n PRO 344 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hum n SER 345 N 0.62 0.00 -1.28 2.55 3.41 0.28 -1.13 113.62 118.06 3hum n SER 345 Ca 0.04 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 3hum n SER 345 Cb 0.37 -0.41 0.30 0.00 -0.26 0.00 0.00 64.21 64.21 3hum n SER 345 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hum n ASP 346 N -1.41 4.07 -4.77 4.04 5.75 -1.26 -4.90 116.55 118.07 3hum n ASP 346 Ca 0.06 -2.23 -0.37 0.00 -0.01 0.00 0.00 54.79 52.24 3hum n ASP 346 Cb 0.17 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3hum n ASP 346 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3hum s PHE 347 N -1.43 2.71 0.27 2.11 0.40 -0.29 -5.06 117.98 116.70 3hum s PHE 347 Ca 0.45 1.52 0.01 0.00 -0.60 0.00 0.00 56.93 58.30 3hum s PHE 347 Cb 0.26 -3.42 -0.00 0.00 0.51 0.00 0.00 43.02 40.37 3hum s PHE 347 CO 0.25 -1.76 0.02 -1.13 0.70 0.00 0.00 175.22 173.30 3hum n SER 348 N -0.83 2.36 -0.28 1.36 3.41 -1.26 -5.02 113.62 113.37 3hum n SER 348 Ca 0.09 -2.23 0.24 0.00 -0.26 0.00 0.00 58.87 56.71 3hum n SER 348 Cb 0.48 0.29 0.57 0.00 -0.26 0.00 0.00 64.21 65.30 3hum n SER 348 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hum h LYS 349 N 0.00 0.28 0.00 4.33 1.57 -1.97 0.38 116.57 121.16 3hum h LYS 349 Ca -0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hum h LYS 349 Cb 0.70 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hum h LYS 349 CO 0.36 0.19 0.00 1.57 -0.57 0.00 0.00 179.45 181.00 3hum h LYS 350 N 0.29 0.00 -0.02 3.15 2.10 -2.01 -3.12 116.57 116.97 3hum h LYS 350 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 3hum h LYS 350 Cb 1.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 3hum h LYS 350 CO -0.18 0.00 -0.37 -0.25 -2.00 0.00 0.00 179.45 176.65 3hum n ASP 351 N -2.75 1.89 -3.89 7.07 8.00 0.12 -4.90 116.55 122.08 3hum n ASP 351 Ca -0.02 -1.43 -0.09 0.00 0.71 0.00 0.00 54.79 53.96 3hum n ASP 351 Cb 0.09 0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 3hum n ASP 351 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hum s TYR 352 N -2.43 0.24 0.02 1.24 -0.85 -1.18 -4.85 117.35 109.54 3hum s TYR 352 Ca 0.21 -0.60 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 3hum s TYR 352 Cb 0.19 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 3hum s TYR 352 CO 0.53 -0.76 -0.26 0.15 -1.52 0.00 0.00 175.55 173.69 3hum s LYS 353 N -3.93 1.90 0.17 -3.49 1.02 -0.89 -4.92 119.74 109.60 3hum s LYS 353 Ca 0.14 -1.03 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 3hum s LYS 353 Cb 0.02 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 3hum s LYS 353 CO -0.02 0.52 0.88 -0.51 -0.92 0.00 0.00 175.35 175.31 3hum s LEU 354 N -1.00 4.58 -0.14 3.17 1.43 -1.26 -1.95 118.68 123.51 3hum s LEU 354 Ca 0.11 1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3hum s LEU 354 Cb -0.10 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.69 3hum s LEU 354 CO 0.01 0.11 -0.03 -0.69 0.23 0.00 0.00 176.35 175.98 3hum s VAL 355 N -0.79 0.85 -0.19 -1.59 1.01 0.75 -4.91 120.40 115.53 3hum s VAL 355 Ca 0.40 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 3hum s VAL 355 Cb -0.24 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3hum s VAL 355 CO 0.29 0.13 0.59 -0.69 0.00 0.00 0.00 175.10 175.42 3hum s VAL 356 N 1.75 5.06 0.15 2.92 1.01 -1.26 -1.50 120.40 128.54 3hum s VAL 356 Ca 0.02 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.95 3hum s VAL 356 Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3hum s VAL 356 CO -0.07 0.15 0.47 -1.83 0.00 0.00 0.00 175.10 173.82 3hum s GLU 357 N 1.69 1.21 0.00 2.72 -1.05 -0.14 -4.97 118.70 118.16 3hum s GLU 357 Ca 0.28 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 3hum s GLU 357 Cb -0.16 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3hum s GLU 357 CO 0.11 -0.50 0.00 -0.25 0.95 0.00 0.00 175.26 175.57 3hum n ASP 358 N -0.29 0.00 -1.05 0.83 8.00 -1.26 -0.84 116.55 121.94 3hum n ASP 358 Ca -0.14 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.36 3hum n ASP 358 Cb 0.64 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.88 3hum n ASP 358 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hum n GLY 359 N 0.00 4.76 2.93 0.44 0.00 -1.26 -5.02 105.19 107.04 3hum n GLY 359 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3hum n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hum s LYS 360 N -2.93 0.18 -0.01 1.61 1.02 -0.02 -0.55 119.74 119.05 3hum s LYS 360 Ca 0.40 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.10 3hum s LYS 360 Cb 0.38 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.72 3hum s LYS 360 CO -0.06 -0.03 -0.20 0.54 -0.92 0.00 0.00 175.35 174.69 3hum s VAL 361 N -0.83 2.62 0.11 3.17 0.11 -0.91 -0.97 120.40 123.71 3hum s VAL 361 Ca -0.09 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.86 3hum s VAL 361 Cb -0.06 -2.01 -0.00 0.00 -1.53 0.00 0.00 36.38 32.78 3hum s VAL 361 CO -0.01 0.51 0.23 -1.38 -3.33 0.00 0.00 175.10 171.12 3hum s HIS 362 N -0.75 0.20 0.46 1.54 -3.43 -0.56 -2.92 115.29 109.83 3hum s HIS 362 Ca 0.12 -0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 53.65 3hum s HIS 362 Cb -0.10 -0.04 -0.06 0.00 -1.43 0.00 0.00 32.58 30.94 3hum s HIS 362 CO 0.01 -0.60 0.86 0.00 -2.00 0.00 0.00 174.74 173.01 3hum s ALA 363 N -3.89 3.25 -0.11 -1.38 0.00 -1.26 -0.18 121.76 118.18 3hum s ALA 363 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 3hum s ALA 363 Cb 0.04 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.37 3hum s ALA 363 CO -0.08 -0.16 0.23 0.34 0.00 0.00 0.00 175.76 176.09 3hum s ASP 364 N -3.28 0.45 0.31 0.00 2.15 -0.82 -4.86 116.67 110.62 3hum s ASP 364 Ca 0.54 0.51 -0.19 0.00 0.43 0.00 0.00 52.55 53.84 3hum s ASP 364 Cb -0.10 0.57 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 3hum s ASP 364 CO 0.34 -0.24 0.74 -0.72 -0.17 0.00 0.00 175.17 175.13 3hum s TYR 365 N 2.34 -0.10 0.10 -5.34 -0.85 -1.26 -2.09 117.35 110.15 3hum s TYR 365 Ca 0.01 -0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 55.84 3hum s TYR 365 Cb -0.12 0.75 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 3hum s TYR 365 CO -0.08 -1.33 1.08 -2.14 -1.52 0.00 0.00 175.55 171.56 3hum s PRO 366 N -3.43 4.56 -0.10 -3.49 0.02 -1.26 -4.96 135.00 126.34 3hum s PRO 366 Ca 0.12 1.63 -0.33 0.00 0.02 0.00 0.00 61.00 62.44 3hum s PRO 366 Cb -0.06 -3.35 0.13 0.00 0.02 0.00 0.00 34.50 31.24 3hum s PRO 366 CO 0.08 -0.02 1.27 -0.98 -0.33 0.00 0.00 177.00 177.02 3hum s ARG 367 N 0.39 0.33 -0.04 5.54 1.70 -1.26 -5.13 118.95 120.48 3hum s ARG 367 Ca 0.52 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.66 3hum s ARG 367 Cb -0.27 0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 3hum s ARG 367 CO 0.31 -0.15 -0.15 -2.00 -1.08 0.00 0.00 175.30 172.23 3hum s GLU 368 N -2.39 1.62 0.31 3.89 2.12 -1.26 -5.08 118.70 117.91 3hum s GLU 368 Ca 0.12 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.98 3hum s GLU 368 Cb 0.03 -1.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.98 3hum s GLU 368 CO -0.04 0.21 0.43 -0.06 -0.54 0.00 0.00 175.26 175.26 3hum s PHE 369 N 0.10 3.17 0.18 5.30 0.40 -1.26 -0.33 117.98 125.55 3hum s PHE 369 Ca -0.04 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3hum s PHE 369 Cb -0.11 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.57 3hum s PHE 369 CO 0.02 0.10 1.41 0.97 0.70 0.00 0.00 175.22 178.42 3hum h ILE 370 N 0.97 1.48 -2.37 0.64 2.10 -0.76 -3.44 117.51 116.14 3hum h ILE 370 Ca -0.47 -2.53 0.05 0.00 1.08 0.00 0.00 64.86 63.00 3hum h ILE 370 Cb 1.25 2.39 -0.01 0.00 -1.09 0.00 0.00 36.82 39.36 3hum h ILE 370 CO 0.55 0.74 0.30 -0.46 -1.08 0.00 0.00 178.15 178.19 3hum n ASN 371 N -3.69 -1.25 -0.15 2.19 0.23 -1.26 -5.04 115.26 106.29 3hum n ASN 371 Ca -0.03 -1.75 0.09 0.00 -0.53 0.00 0.00 54.58 52.36 3hum n ASN 371 Cb 0.77 2.05 0.48 0.00 -2.08 0.00 0.00 39.78 41.00 3hum n ASN 371 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3hum n LYS 372 N -0.41 1.20 0.00 -3.83 -0.00 -1.26 -2.70 118.16 111.15 3hum n LYS 372 Ca -0.03 -0.30 0.14 0.00 -0.00 0.00 0.00 58.31 58.12 3hum n LYS 372 Cb 0.37 -1.31 0.57 0.00 -0.00 0.00 0.00 35.03 34.66 3hum n LYS 372 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hum n ASP 373 N -0.47 0.21 -4.34 -5.58 8.00 -1.26 -4.86 116.55 108.25 3hum n ASP 373 Ca 0.14 -0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 3hum n ASP 373 Cb 0.13 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 3hum n ASP 373 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hum s TYR 374 N -2.81 2.17 0.09 1.24 2.02 -1.10 -5.13 117.35 113.83 3hum s TYR 374 Ca 0.19 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 3hum s TYR 374 Cb 0.19 -1.24 0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3hum s TYR 374 CO 0.54 0.20 0.68 0.41 -1.57 0.00 0.00 175.55 175.81 3hum n GLY 375 N 1.41 0.76 3.57 0.71 0.00 -1.26 -4.76 105.19 105.62 3hum n GLY 375 Ca -0.18 -1.05 -0.50 0.00 0.00 0.00 0.00 46.02 44.30 3hum n GLY 375 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hum n PRO 376 N -0.48 1.06 -1.55 1.61 -0.02 -1.26 -4.86 135.00 129.50 3hum n PRO 376 Ca -0.01 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 3hum n PRO 376 Cb 0.37 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.03 3hum n PRO 376 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hum n PRO 377 N 1.90 0.84 -4.33 0.52 -0.01 -1.26 -4.96 135.00 127.70 3hum n PRO 377 Ca 0.16 0.35 -0.17 0.00 -0.01 0.00 0.00 63.50 63.82 3hum n PRO 377 Cb 0.22 -2.45 -0.10 0.00 -0.01 0.00 0.00 33.50 31.17 3hum n PRO 377 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 3hum s THR 378 N -1.59 1.49 0.08 3.45 -4.23 -1.26 -4.32 115.64 109.26 3hum s THR 378 Ca 0.79 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3hum s THR 378 Cb -0.36 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 3hum s THR 378 CO 0.44 -0.58 -0.09 0.68 -0.54 0.00 0.00 174.62 174.53 3hum s VAL 379 N -3.13 0.82 0.29 2.29 -7.23 -1.15 -4.98 120.40 107.31 3hum s VAL 379 Ca 0.22 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 3hum s VAL 379 Cb 0.01 -1.20 -0.10 0.00 0.56 0.00 0.00 36.38 35.66 3hum s VAL 379 CO 0.06 -0.53 1.15 -1.61 -0.31 0.00 0.00 175.10 173.85 3hum s GLU 380 N -2.56 4.57 -0.29 4.82 0.41 -1.26 -2.14 118.70 122.25 3hum s GLU 380 Ca 0.02 1.90 0.02 0.00 -0.41 0.00 0.00 54.97 56.49 3hum s GLU 380 Cb -0.04 -3.16 0.20 0.00 -1.78 0.00 0.00 34.13 29.35 3hum s GLU 380 CO -0.00 0.12 0.69 0.08 -0.49 0.00 0.00 175.26 175.66 3hum s VAL 381 N -1.16 -0.83 -2.80 2.63 1.01 0.29 -0.68 120.40 118.86 3hum s VAL 381 Ca 0.46 0.00 0.22 0.00 0.00 0.00 0.00 61.98 62.66 3hum s VAL 381 Cb -0.34 -0.85 0.18 0.00 0.00 0.00 0.00 36.38 35.37 3hum s VAL 381 CO 0.44 0.00 1.21 0.00 0.00 0.00 0.00 175.10 176.75