#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hum n ASN 26 N 0.00 0.58 -4.14 3.42 4.13 -1.26 -4.76 115.26 113.23 3hum n ASN 26 Ca 0.00 1.14 -0.29 0.00 1.68 0.00 0.00 54.58 57.11 3hum n ASN 26 Cb 0.00 -1.07 0.27 0.00 -1.54 0.00 0.00 39.78 37.44 3hum n ASN 26 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3hum s SER 27 N -0.04 0.13 0.31 6.41 0.01 0.16 -4.89 113.70 115.78 3hum s SER 27 Ca 0.80 1.29 0.06 0.00 1.31 0.00 0.00 55.95 59.42 3hum s SER 27 Cb -1.03 -1.96 0.75 0.00 0.21 0.00 0.00 66.02 63.99 3hum s SER 27 CO 0.53 -4.69 1.77 -0.78 0.41 0.00 0.00 173.24 170.49 3hum h ASP 28 N -2.96 0.78 -4.20 2.44 3.58 -1.91 -3.44 116.42 110.71 3hum h ASP 28 Ca -0.57 0.10 -0.29 0.00 0.42 0.00 0.00 57.03 56.68 3hum h ASP 28 Cb 1.34 -0.04 -0.26 0.00 1.72 0.00 0.00 39.33 42.09 3hum h ASP 28 CO 0.44 0.26 -0.74 0.68 -2.88 0.00 0.00 179.24 177.00 3hum s VAL 29 N -5.84 0.41 0.75 2.25 -7.23 -1.26 -5.14 120.40 104.34 3hum s VAL 29 Ca -0.11 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 3hum s VAL 29 Cb 0.25 -0.40 0.04 0.00 0.56 0.00 0.00 36.38 36.84 3hum s VAL 29 CO 0.80 -0.07 1.08 0.42 -0.31 0.00 0.00 175.10 177.02 3hum s THR 30 N -0.56 3.55 0.28 5.32 -4.23 -1.26 -4.80 115.64 113.93 3hum s THR 30 Ca -0.03 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3hum s THR 30 Cb -0.05 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.94 3hum s THR 30 CO -0.00 -0.66 1.70 -0.65 -0.54 0.00 0.00 174.62 174.47 3hum h PRO 31 N -0.98 0.37 0.00 3.99 0.11 -1.96 -0.30 132.00 133.23 3hum h PRO 31 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3hum h PRO 31 Cb 1.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hum h PRO 31 CO 0.55 0.25 -0.35 0.28 -0.21 0.00 0.00 178.00 178.52 3hum h VAL 32 N 0.38 1.24 0.05 3.15 2.07 -1.93 -1.19 116.25 120.02 3hum h VAL 32 Ca 0.52 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 3hum h VAL 32 Cb 0.95 1.65 0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3hum h VAL 32 CO -0.52 0.34 -0.67 1.56 0.02 0.00 0.00 177.57 178.30 3hum h GLN 33 N 0.00 0.36 -0.80 1.57 4.20 -1.48 0.16 115.11 119.13 3hum h GLN 33 Ca -0.00 -0.46 0.13 0.00 0.06 0.00 0.00 58.65 58.38 3hum h GLN 33 Cb 0.62 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.46 3hum h GLN 33 CO 0.05 1.15 0.40 0.00 -0.67 0.00 0.00 178.83 179.76 3hum h ALA 34 N 0.23 1.17 -0.11 3.87 0.00 -1.12 -0.03 119.26 123.28 3hum h ALA 34 Ca -0.10 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hum h ALA 34 Cb 1.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3hum h ALA 34 CO 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 3hum h ALA 35 N 1.52 0.07 -1.00 0.00 0.00 -0.73 -0.37 119.26 118.75 3hum h ALA 35 Ca 0.42 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.52 3hum h ALA 35 Cb 0.56 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3hum h ALA 35 CO -0.34 -0.48 0.62 -0.91 0.00 0.00 0.00 179.25 178.14 3hum h ASN 36 N 0.00 0.87 0.85 0.00 4.21 -0.29 -0.95 115.58 120.27 3hum h ASN 36 Ca 0.05 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.62 3hum h ASN 36 Cb 0.08 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 3hum h ASN 36 CO -0.11 0.42 -0.47 0.00 -1.29 0.00 0.00 177.43 175.98 3hum n GLN 37 N -4.65 0.19 -2.88 0.81 6.02 -0.09 -3.03 117.38 113.76 3hum n GLN 37 Ca 0.20 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 57.02 3hum n GLN 37 Cb 0.42 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 3hum n GLN 37 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hum n TYR 38 N -1.92 3.03 0.00 1.08 4.01 -0.20 -4.89 117.16 118.28 3hum n TYR 38 Ca 0.04 -3.71 0.00 0.00 -0.16 0.00 0.00 57.90 54.07 3hum n TYR 38 Cb 0.40 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3hum n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hum n GLY 39 N -0.19 0.72 2.33 2.72 0.00 -1.23 -4.66 105.19 104.89 3hum n GLY 39 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.78 2.76 -1.50 1.61 4.02 -0.40 -5.05 117.16 116.81 3hum n TYR 40 Ca 0.00 -2.63 -0.44 0.00 -0.01 0.00 0.00 57.90 54.82 3hum n TYR 40 Cb 0.00 -0.23 -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 -0.55 -1.18 0.00 -0.72 0.00 -1.17 -2.07 120.51 114.82 3hum n ALA 41 Ca 0.36 0.29 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3hum n ALA 41 Cb 0.82 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.59 2.13 3.70 0.00 0.00 -1.26 -4.98 105.19 106.37 3hum n GLY 42 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 0.57 0.99 2.96 -0.88 -5.04 118.68 121.60 3hum s LEU 43 Ca 0.00 1.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.48 3hum s LEU 43 Cb 0.00 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.17 3hum s LEU 43 CO 0.00 -0.33 0.83 -0.94 -1.32 0.00 0.00 176.35 174.58 3hum s SER 44 N 1.04 5.39 0.43 3.68 1.04 -1.26 -4.85 113.70 119.17 3hum s SER 44 Ca 0.50 0.32 0.30 0.00 0.48 0.00 0.00 55.95 57.55 3hum s SER 44 Cb -0.20 -1.27 1.45 0.00 0.10 0.00 0.00 66.02 66.10 3hum s SER 44 CO 0.23 -1.11 1.90 0.00 0.98 0.00 0.00 173.24 175.24 3hum h ALA 45 N -0.04 1.00 0.00 5.32 0.00 -1.96 -2.85 119.26 120.73 3hum h ALA 45 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hum h ALA 45 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hum h ALA 45 CO 0.57 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3hum h ALA 46 N 2.07 1.00 -0.34 0.00 0.00 -2.02 -2.25 119.26 117.71 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hum h ALA 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3hum n TYR 47 N -2.81 0.44 -1.69 0.00 4.01 -1.07 -4.59 117.16 111.44 3hum n TYR 47 Ca 0.00 -0.22 -0.44 0.00 -0.16 0.00 0.00 57.90 57.09 3hum n TYR 47 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.24 3hum n TYR 47 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3hum n GLU 48 N 1.08 2.15 -2.65 -0.72 -0.58 -0.85 -2.89 120.64 116.18 3hum n GLU 48 Ca 0.18 0.76 -0.23 0.00 -0.42 0.00 0.00 57.16 57.45 3hum n GLU 48 Cb 0.50 -2.41 0.03 0.00 -0.57 0.00 0.00 31.44 29.00 3hum n GLU 48 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hum s PRO 49 N -0.95 2.71 0.26 3.49 0.04 -1.26 -4.33 135.00 134.96 3hum s PRO 49 Ca 0.63 -0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 3hum s PRO 49 Cb -0.60 -2.43 0.51 0.00 0.04 0.00 0.00 34.50 32.02 3hum s PRO 49 CO 0.54 -0.65 1.78 1.15 0.04 0.00 0.00 177.00 179.86 3hum h THR 50 N 0.04 0.79 -2.65 1.26 2.02 -0.92 -3.47 112.91 109.97 3hum h THR 50 Ca -0.44 -0.24 0.11 0.00 0.77 0.00 0.00 66.41 66.61 3hum h THR 50 Cb 1.28 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3hum h THR 50 CO 0.56 0.13 0.40 -0.94 0.37 0.00 0.00 175.52 176.04 3hum s SER 51 N -5.49 -0.14 -0.20 4.18 1.04 -0.69 -4.72 113.70 107.68 3hum s SER 51 Ca -0.12 -0.63 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 3hum s SER 51 Cb 0.21 0.62 0.13 0.00 0.10 0.00 0.00 66.02 67.07 3hum s SER 51 CO 0.78 -1.17 1.02 0.00 0.98 0.00 0.00 173.24 174.85 3hum s ALA 52 N -3.10 -1.95 -0.14 5.32 0.00 -0.53 -2.00 121.76 119.37 3hum s ALA 52 Ca 0.14 1.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 3hum s ALA 52 Cb -0.03 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.15 3hum s ALA 52 CO 0.06 -0.28 0.42 0.54 0.00 0.00 0.00 175.76 176.49 3hum s VAL 53 N -0.62 0.01 -0.09 0.00 0.11 0.16 -0.92 120.40 119.04 3hum s VAL 53 Ca 0.00 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 3hum s VAL 53 Cb -0.02 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3hum s VAL 53 CO -0.01 -0.03 -0.14 0.20 -3.33 0.00 0.00 175.10 171.79 3hum s ASN 54 N -0.03 2.22 -0.04 3.54 0.02 -0.60 -1.08 114.94 118.97 3hum s ASN 54 Ca -0.02 -0.38 0.02 0.00 -1.02 0.00 0.00 52.86 51.46 3hum s ASN 54 Cb -0.03 -0.99 0.01 0.00 0.02 0.00 0.00 41.25 40.26 3hum s ASN 54 CO 0.01 0.01 -0.07 0.54 0.02 0.00 0.00 177.10 177.62 3hum s VAL 55 N 0.94 0.67 0.85 1.60 0.11 0.01 -0.19 120.40 124.40 3hum s VAL 55 Ca -0.08 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 3hum s VAL 55 Cb -0.15 -0.64 0.11 0.00 -1.53 0.00 0.00 36.38 34.16 3hum s VAL 55 CO -0.00 0.24 1.14 -0.94 -3.33 0.00 0.00 175.10 172.20 3hum s SER 56 N 0.59 3.52 0.37 3.54 1.04 -0.57 -0.35 113.70 121.84 3hum s SER 56 Ca -0.09 2.10 0.27 0.00 0.48 0.00 0.00 55.95 58.71 3hum s SER 56 Cb -0.12 -2.56 1.29 0.00 0.10 0.00 0.00 66.02 64.73 3hum s SER 56 CO 0.01 -2.70 1.82 -0.61 0.98 0.00 0.00 173.24 172.73 3hum h GLN 57 N -1.49 0.00 -0.00 4.02 5.75 -1.29 0.44 115.11 122.54 3hum h GLN 57 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 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 0.45 0.00 -0.02 0.25 -2.65 0.00 0.00 178.83 176.86 3hum n THR 58 N -2.47 0.00 -0.33 2.39 -2.24 -1.26 -4.92 114.28 105.45 3hum n THR 58 Ca -0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hum n THR 58 Cb 0.15 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.19 0.74 3.67 3.38 0.00 0.15 -4.50 105.19 109.82 3hum n GLY 59 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.67 4.32 0.20 1.61 0.74 -1.26 -0.26 119.66 124.33 3hum s GLN 60 Ca 0.00 1.25 -0.32 0.00 0.05 0.00 0.00 55.36 56.34 3hum s GLN 60 Cb 0.00 -3.59 -0.12 0.00 1.10 0.00 0.00 33.01 30.40 3hum s GLN 60 CO 0.00 -0.44 1.70 -0.51 -0.55 0.00 0.00 175.29 175.49 3hum s LEU 61 N 2.51 4.37 -0.00 3.68 1.43 -0.24 -1.52 118.68 128.91 3hum s LEU 61 Ca 0.43 2.83 0.04 0.00 -1.03 0.00 0.00 54.13 56.40 3hum s LEU 61 Cb -0.16 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 3hum s LEU 61 CO 0.12 -0.95 0.10 0.18 0.23 0.00 0.00 176.35 176.03 3hum n LEU 62 N 3.95 0.04 -3.67 1.79 4.77 0.74 -4.72 117.00 119.90 3hum n LEU 62 Ca 0.15 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3hum n LEU 62 Cb 0.36 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3hum n LEU 62 CO 0.64 0.01 0.18 -0.47 -1.33 0.00 0.00 177.39 176.42 3hum s TYR 63 N -2.05 -0.81 -0.01 -1.77 5.04 -0.92 -4.92 117.35 111.91 3hum s TYR 63 Ca -0.01 1.66 0.01 0.00 -2.44 0.00 0.00 57.07 56.29 3hum s TYR 63 Cb 0.03 0.43 0.01 0.00 0.35 0.00 0.00 41.96 42.77 3hum s TYR 63 CO 0.16 -0.42 -0.04 1.14 -1.34 0.00 0.00 175.55 175.04 3hum s GLN 64 N 1.51 0.44 -0.21 4.97 -2.07 -1.26 -1.56 119.66 121.47 3hum s GLN 64 Ca -0.10 -0.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.28 3hum s GLN 64 Cb -0.07 -0.46 0.08 0.00 -1.09 0.00 0.00 33.01 31.47 3hum s GLN 64 CO -0.16 0.04 0.13 -0.47 -1.32 0.00 0.00 175.29 173.51 3hum s TYR 65 N 0.23 0.10 -1.57 9.60 5.04 -0.09 -0.67 117.35 129.98 3hum s TYR 65 Ca -0.02 -0.33 -0.08 0.00 -2.44 0.00 0.00 57.07 54.20 3hum s TYR 65 Cb -0.06 -0.66 0.07 0.00 0.35 0.00 0.00 41.96 41.66 3hum s TYR 65 CO -0.00 -0.61 0.48 0.09 -1.34 0.00 0.00 175.55 174.16 3hum n ASN 66 N 5.28 -1.21 0.11 4.32 3.02 -1.26 -1.45 115.26 124.07 3hum n ASN 66 Ca -0.06 -1.08 0.11 0.00 -0.03 0.00 0.00 54.58 53.51 3hum n ASN 66 Cb 0.48 -2.56 0.45 0.00 -0.61 0.00 0.00 39.78 37.54 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 -4.41 0.92 0.63 2.41 -5.35 -1.26 -2.17 119.36 110.13 3hum n ILE 67 Ca -0.15 0.30 0.09 0.00 -0.27 0.00 0.00 62.75 62.72 3hum n ILE 67 Cb 0.60 -1.21 0.09 0.00 -1.74 0.00 0.00 39.64 37.38 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 -2.09 2.56 -4.72 7.28 8.00 -1.26 -0.81 116.55 125.51 3hum n ASP 68 Ca 0.02 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.35 3hum n ASP 68 Cb 0.19 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.41 3.83 0.41 -3.53 2.01 -0.92 -4.90 115.64 111.12 3hum s THR 69 Ca 0.22 1.40 -0.24 0.00 0.31 0.00 0.00 61.69 63.38 3hum s THR 69 Cb 0.15 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 3hum s THR 69 CO 0.22 0.16 1.09 -0.54 -0.69 0.00 0.00 174.62 174.86 3hum s LYS 70 N 0.51 4.08 0.02 4.92 1.02 -1.26 -4.32 119.74 124.72 3hum s LYS 70 Ca 0.56 1.63 -0.28 0.00 0.02 0.00 0.00 55.97 57.90 3hum s LYS 70 Cb -0.31 -2.55 0.07 0.00 -0.52 0.00 0.00 37.83 34.52 3hum s LYS 70 CO 0.32 -0.24 0.65 -0.46 -0.92 0.00 0.00 175.35 174.69 3hum s TRP 71 N -1.58 -0.61 -0.30 3.18 -0.11 0.26 -4.95 118.94 114.82 3hum s TRP 71 Ca 0.58 0.83 -0.29 0.00 1.22 0.00 0.00 56.10 58.45 3hum s TRP 71 Cb -0.25 0.46 -0.00 0.00 -1.50 0.00 0.00 33.47 32.17 3hum s TRP 71 CO 0.31 -0.69 1.40 1.21 -4.62 0.00 0.00 176.95 174.56 3hum s ASN 72 N -1.74 6.54 0.30 5.86 2.47 -1.26 -1.46 114.94 125.64 3hum s ASN 72 Ca -0.07 1.24 0.26 0.00 0.42 0.00 0.00 52.86 54.71 3hum s ASN 72 Cb -0.00 -2.54 0.95 0.00 -1.45 0.00 0.00 41.25 38.21 3hum s ASN 72 CO 0.02 -1.19 1.76 1.55 -3.72 0.00 0.00 177.10 175.52 3hum h PRO 73 N 9.90 0.00 0.00 0.43 0.13 -1.91 -3.43 132.00 137.12 3hum h PRO 73 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hum h PRO 73 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hum h PRO 73 CO 1.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 3hum n ALA 74 N -1.84 0.00 0.32 -0.56 0.00 -1.26 -1.34 120.51 115.82 3hum n ALA 74 Ca 0.03 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.67 3hum n ALA 74 Cb 0.31 0.00 1.07 0.00 0.00 0.00 0.00 19.45 20.84 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 4.62 0.00 0.00 0.00 0.02 -1.80 -0.81 113.55 115.58 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 0.01 0.23 -1.14 0.00 0.00 176.83 175.93 3hum n MET 76 N -3.22 0.11 -0.11 3.45 2.81 -0.45 -0.83 117.12 118.89 3hum n MET 76 Ca -0.02 0.61 0.11 0.00 -1.81 0.00 0.00 57.70 56.59 3hum n MET 76 Cb 0.15 -1.87 0.47 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.91 -0.09 2.03 2.02 -1.31 -1.79 112.91 114.68 3hum h THR 77 Ca 0.00 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3hum h THR 77 Cb 0.01 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3hum h THR 77 CO 0.00 0.09 0.12 0.11 0.37 0.00 0.00 175.52 176.20 3hum h LYS 78 N 0.48 0.00 -0.84 6.66 1.57 -1.12 -0.89 116.57 122.42 3hum h LYS 78 Ca 0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3hum h LYS 78 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3hum h LYS 78 CO -0.09 0.00 0.38 1.25 -0.57 0.00 0.00 179.45 180.42 3hum h LEU 79 N 0.00 1.12 -0.91 2.94 5.85 -1.50 0.05 115.31 122.85 3hum h LEU 79 Ca 0.04 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3hum h LEU 79 Cb 0.28 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3hum h LEU 79 CO -0.00 0.96 0.30 -0.03 -0.34 0.00 0.00 178.44 179.33 3hum h MET 80 N 1.21 1.09 -0.53 1.25 4.05 -1.32 0.16 114.93 120.84 3hum h MET 80 Ca 0.29 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 3hum h MET 80 Cb 0.15 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3hum h MET 80 CO -0.03 0.88 -0.09 1.15 0.23 0.00 0.00 176.91 179.05 3hum h THR 81 N 1.07 1.27 -0.25 -0.77 2.02 -1.39 -1.58 112.91 113.27 3hum h THR 81 Ca 0.25 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 3hum h THR 81 Cb 0.19 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3hum h THR 81 CO -0.02 0.43 0.08 0.24 0.37 0.00 0.00 175.52 176.62 3hum h MET 82 N 0.86 0.39 -0.99 6.66 2.07 -0.70 -1.93 114.93 121.28 3hum h MET 82 Ca 0.14 -0.09 0.13 0.00 -2.07 0.00 0.00 59.70 57.81 3hum h MET 82 Cb 0.65 -0.06 -0.08 0.00 -1.87 0.00 0.00 31.60 30.23 3hum h MET 82 CO 0.04 0.47 0.63 -0.92 1.07 0.00 0.00 176.91 178.20 3hum h TYR 83 N 0.24 1.11 0.00 -0.22 3.20 -0.47 -1.89 116.97 118.94 3hum h TYR 83 Ca 0.08 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 3hum h TYR 83 Cb 0.24 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3hum h TYR 83 CO 0.01 0.43 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.12 3hum h LEU 84 N 0.96 0.00 -0.27 2.82 3.38 -1.20 -2.09 115.31 118.91 3hum h LEU 84 Ca 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 3hum h LEU 84 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hum h LEU 84 CO -0.27 0.76 0.13 0.74 0.09 0.00 0.00 178.44 179.89 3hum h THR 85 N 0.00 1.15 0.00 0.22 2.02 -0.74 -1.43 112.91 114.12 3hum h THR 85 Ca -0.01 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hum h THR 85 Cb 1.51 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3hum h THR 85 CO 0.10 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 176.07 3hum h LEU 86 N 0.30 0.00 -0.08 2.58 3.38 -1.34 -1.33 115.31 118.82 3hum h LEU 86 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hum h LEU 86 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hum h LEU 86 CO -0.01 0.00 -0.20 -0.08 0.09 0.00 0.00 178.44 178.23 3hum h GLU 87 N 0.00 0.28 -0.98 1.13 4.81 -1.23 -0.44 114.58 118.15 3hum h GLU 87 Ca 0.00 -0.19 0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3hum h GLU 87 Cb 0.70 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.02 3hum h GLU 87 CO 0.00 0.80 0.61 0.00 -0.73 0.00 0.00 179.01 179.70 3hum h ALA 88 N 0.47 1.67 -0.42 2.92 0.00 -0.89 -0.22 119.26 122.80 3hum h ALA 88 Ca -0.00 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3hum h ALA 88 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hum h ALA 88 CO 0.04 0.04 -0.32 0.28 0.00 0.00 0.00 179.25 179.29 3hum h VAL 89 N 0.83 1.27 -0.46 0.00 2.07 -1.19 -0.22 116.25 118.55 3hum h VAL 89 Ca 0.52 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3hum h VAL 89 Cb 0.71 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3hum h VAL 89 CO -0.29 0.50 -0.03 0.78 0.02 0.00 0.00 177.57 178.56 3hum h ASN 90 N 0.79 0.74 0.40 0.57 2.35 0.06 -1.49 115.58 119.00 3hum h ASN 90 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3hum h ASN 90 Cb 0.91 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3hum h ASN 90 CO 0.08 0.83 0.00 0.29 -1.65 0.00 0.00 177.43 176.98 3hum n LYS 91 N -4.21 0.21 -1.00 0.81 5.02 -0.20 -4.90 118.16 113.89 3hum n LYS 91 Ca 0.02 0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3hum n LYS 91 Cb 0.31 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.28 0.43 0.05 0.72 0.00 -0.56 -4.89 105.19 101.21 3hum n GLY 92 Ca 0.08 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.57 3hum n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hum n GLN 93 N -2.99 0.39 -3.56 1.61 6.02 -0.14 -4.93 117.38 113.79 3hum n GLN 93 Ca -0.00 -0.10 -0.16 0.00 -0.01 0.00 0.00 57.00 56.74 3hum n GLN 93 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 3hum n GLN 93 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3hum s LEU 94 N -2.67 -0.62 -0.03 1.08 2.96 -1.21 -4.95 118.68 113.24 3hum s LEU 94 Ca 0.23 0.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3hum s LEU 94 Cb 0.20 2.38 -0.02 0.00 0.50 0.00 0.00 46.19 49.25 3hum s LEU 94 CO 0.51 -0.47 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.27 3hum s SER 95 N -0.78 3.16 0.54 3.68 0.15 -1.26 -4.20 113.70 115.00 3hum s SER 95 Ca -0.07 -0.44 0.26 0.00 0.70 0.00 0.00 55.95 56.40 3hum s SER 95 Cb -0.01 -0.45 1.44 0.00 -1.71 0.00 0.00 66.02 65.29 3hum s SER 95 CO 0.06 0.32 2.01 -0.07 1.20 0.00 0.00 173.24 176.75 3hum h LEU 96 N 5.53 0.00 -1.46 3.45 3.38 -1.97 0.59 115.31 124.83 3hum h LEU 96 Ca -0.42 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 3hum h LEU 96 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hum h LEU 96 CO 0.47 0.00 -0.23 0.44 0.09 0.00 0.00 178.44 179.21 3hum h ASP 97 N 0.00 0.00 -4.18 -0.43 3.32 -1.97 -1.95 116.42 111.21 3hum h ASP 97 Ca 0.21 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.74 3hum h ASP 97 Cb 0.91 0.00 0.20 0.00 0.22 0.00 0.00 39.33 40.66 3hum h ASP 97 CO -0.00 0.23 0.16 0.47 -1.72 0.00 0.00 179.24 178.38 3hum n ASP 98 N -3.67 0.22 -4.40 6.45 8.00 0.20 -4.75 116.55 118.59 3hum n ASP 98 Ca -0.01 0.44 -0.20 0.00 0.71 0.00 0.00 54.79 55.72 3hum n ASP 98 Cb 0.35 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.89 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 -2.54 1.51 -0.04 -3.53 -4.23 -1.26 -1.56 115.64 103.98 3hum s THR 99 Ca 0.67 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3hum s THR 99 Cb -0.24 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.21 3hum s THR 99 CO 0.58 -0.31 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.62 3hum s VAL 100 N -3.10 0.45 -0.15 2.29 1.01 -0.18 -4.94 120.40 115.77 3hum s VAL 100 Ca 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3hum s VAL 100 Cb 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3hum s VAL 100 CO 0.11 0.21 0.13 -0.89 0.00 0.00 0.00 175.10 174.66 3hum s THR 101 N 1.02 5.37 0.15 3.92 2.01 -1.26 -0.76 115.64 126.10 3hum s THR 101 Ca -0.10 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 3hum s THR 101 Cb -0.14 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 3hum s THR 101 CO -0.01 0.55 0.77 -0.04 -0.69 0.00 0.00 174.62 175.20 3hum s MET 102 N -0.44 4.55 0.56 4.92 -1.94 0.35 -4.92 119.30 122.38 3hum s MET 102 Ca 0.12 1.14 0.05 0.00 -1.71 0.00 0.00 55.69 55.29 3hum s MET 102 Cb -0.12 -3.27 0.05 0.00 2.01 0.00 0.00 34.83 33.50 3hum s MET 102 CO 0.02 0.55 0.41 0.95 -0.01 0.00 0.00 175.02 176.94 3hum s THR 103 N -1.05 1.53 0.58 2.05 -4.23 -1.26 -0.54 115.64 112.72 3hum s THR 103 Ca 0.36 -1.50 0.28 0.00 -1.18 0.00 0.00 61.69 59.64 3hum s THR 103 Cb -0.23 -2.03 0.36 0.00 1.34 0.00 0.00 72.50 71.94 3hum s THR 103 CO 0.26 0.00 2.09 -1.13 -0.54 0.00 0.00 174.62 175.30 3hum h ASN 104 N 0.70 0.00 -0.22 3.99 -1.24 -1.95 -2.46 115.58 114.41 3hum h ASN 104 Ca -0.36 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.49 3hum h ASN 104 Cb 1.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.35 3hum h ASN 104 CO 0.57 0.00 -0.46 0.50 -1.29 0.00 0.00 177.43 176.75 3hum h LYS 105 N 0.00 0.78 -0.33 6.67 3.64 -1.97 -2.54 116.57 122.82 3hum h LYS 105 Ca 0.10 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 3hum h LYS 105 Cb 0.52 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3hum h LYS 105 CO -0.00 1.07 -0.08 0.93 -2.27 0.00 0.00 179.45 179.10 3hum h GLU 106 N 0.62 0.55 -0.49 1.90 3.07 -1.78 -1.86 114.58 116.58 3hum h GLU 106 Ca 0.04 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3hum h GLU 106 Cb 1.02 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.84 3hum h GLU 106 CO 0.10 0.63 0.31 -0.92 -1.40 0.00 0.00 179.01 177.73 3hum h TYR 107 N 0.51 0.58 -0.25 4.33 3.20 -1.39 0.17 116.97 124.12 3hum h TYR 107 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3hum h TYR 107 Cb 0.45 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3hum h TYR 107 CO 0.02 0.35 0.15 0.82 -1.64 0.00 0.00 178.16 177.86 3hum h ILE 108 N 0.63 1.10 -0.51 1.81 2.04 -1.41 -2.25 117.51 118.91 3hum h ILE 108 Ca 0.19 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3hum h ILE 108 Cb -0.03 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3hum h ILE 108 CO -0.06 0.10 -0.04 0.24 0.00 0.00 0.00 178.15 178.38 3hum h MET 109 N 0.31 0.07 0.00 2.37 2.86 -0.96 -1.37 114.93 118.20 3hum h MET 109 Ca 0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3hum h MET 109 Cb 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3hum h MET 109 CO -0.02 0.05 0.00 -1.13 1.06 0.00 0.00 176.91 176.87 3hum n SER 110 N -5.28 0.00 -0.05 1.22 3.41 0.56 -2.65 113.62 110.83 3hum n SER 110 Ca 0.05 -0.54 0.01 0.00 -0.26 0.00 0.00 58.87 58.14 3hum n SER 110 Cb 0.28 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.07 0.74 -1.48 6.66 -2.24 -0.58 -4.31 114.28 111.99 3hum n THR 111 Ca 0.15 -0.79 -0.53 0.00 -2.27 0.00 0.00 64.05 60.61 3hum n THR 111 Cb 0.10 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.44 -0.15 -4.75 3.22 4.77 -0.82 -4.86 117.00 113.97 3hum n LEU 112 Ca 0.02 1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 56.73 3hum n LEU 112 Cb 0.41 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 3hum n LEU 112 CO 0.00 -2.18 1.11 -2.65 -1.33 0.00 0.00 177.39 172.35 3hum n PRO 113 N 1.37 2.55 -1.02 3.23 -0.02 -1.26 -3.29 135.00 136.57 3hum n PRO 113 Ca 0.18 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.56 3hum n PRO 113 Cb 0.17 -2.61 -0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3hum n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hum n GLU 114 N 0.91 -0.79 -5.02 -0.52 -0.58 -1.26 -4.99 120.64 108.39 3hum n GLU 114 Ca 0.04 0.25 -0.32 0.00 -0.42 0.00 0.00 57.16 56.71 3hum n GLU 114 Cb 0.38 -3.88 -0.14 0.00 -0.57 0.00 0.00 31.44 27.22 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 -0.16 2.52 0.43 -4.62 1.43 -1.21 -5.10 118.68 111.97 3hum s LEU 115 Ca 0.00 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 3hum s LEU 115 Cb 0.00 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 3hum s LEU 115 CO 0.00 0.34 1.29 -0.94 0.23 0.00 0.00 176.35 177.26 3hum s SER 116 N -0.69 6.17 0.00 2.29 1.04 -1.26 -4.92 113.70 116.34 3hum s SER 116 Ca 0.11 2.61 0.00 0.00 0.48 0.00 0.00 55.95 59.15 3hum s SER 116 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3hum s SER 116 CO 0.00 -0.94 0.00 0.59 0.98 0.00 0.00 173.24 173.87 3hum n ASN 117 N -0.10 0.00 -3.96 7.02 3.02 -1.26 -2.01 115.26 117.97 3hum n ASN 117 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.47 3hum n ASN 117 Cb 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.49 3hum n ASN 117 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hum s THR 118 N -2.00 0.27 0.12 3.41 -1.32 -1.26 -4.97 115.64 109.88 3hum s THR 118 Ca 0.00 -0.52 -0.31 0.00 -1.21 0.00 0.00 61.69 59.65 3hum s THR 118 Cb 0.00 -0.30 -0.08 0.00 -1.51 0.00 0.00 72.50 70.61 3hum s THR 118 CO 0.00 -0.17 1.36 -0.54 -2.21 0.00 0.00 174.62 173.07 3hum s LYS 119 N -0.73 4.34 -0.39 7.08 1.02 -1.26 -4.80 119.74 125.01 3hum s LYS 119 Ca -0.05 2.05 -0.02 0.00 0.02 0.00 0.00 55.97 57.96 3hum s LYS 119 Cb -0.05 -3.25 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 3hum s LYS 119 CO -0.00 -0.40 0.16 -0.51 -0.92 0.00 0.00 175.35 173.68 3hum s LEU 120 N 0.96 4.99 -0.09 3.17 1.43 -1.26 -5.07 118.68 122.80 3hum s LEU 120 Ca 0.63 -1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.55 3hum s LEU 120 Cb -0.36 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3hum s LEU 120 CO 0.31 -0.48 0.96 -0.31 0.23 0.00 0.00 176.35 177.05 3hum s TYR 121 N 1.15 3.53 0.36 0.29 2.02 -1.26 -3.19 117.35 120.25 3hum s TYR 121 Ca 0.06 1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 58.04 3hum s TYR 121 Cb -0.22 -3.13 -0.12 0.00 -0.40 0.00 0.00 41.96 38.09 3hum s TYR 121 CO -0.04 -0.17 1.16 -0.35 -1.57 0.00 0.00 175.55 174.58 3hum n PRO 122 N 4.77 1.74 0.00 -1.71 -0.04 -1.26 -0.93 135.00 137.57 3hum n PRO 122 Ca 0.07 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3hum n PRO 122 Cb 0.49 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3hum n PRO 122 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hum n GLY 123 N 0.97 3.04 3.62 0.55 0.00 0.30 -4.96 105.19 108.72 3hum n GLY 123 Ca 0.07 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 1.57 -4.57 1.61 6.02 -0.11 -4.64 117.38 117.26 3hum n GLN 124 Ca 0.00 0.55 -0.33 0.00 -0.01 0.00 0.00 57.00 57.21 3hum n GLN 124 Cb 0.00 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.08 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 -1.12 2.55 -0.06 5.09 1.01 -1.26 -0.50 120.40 126.11 3hum s VAL 125 Ca 0.59 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3hum s VAL 125 Cb -0.63 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3hum s VAL 125 CO 0.60 0.52 -0.21 0.26 0.00 0.00 0.00 175.10 176.27 3hum s TRP 126 N 0.80 2.53 0.61 5.22 0.52 0.06 -4.91 118.94 123.78 3hum s TRP 126 Ca -0.06 -0.50 -0.15 0.00 0.02 0.00 0.00 56.10 55.41 3hum s TRP 126 Cb -0.15 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 3hum s TRP 126 CO -0.00 -0.07 1.05 0.95 0.02 0.00 0.00 176.95 178.90 3hum s THR 127 N -0.35 3.89 0.20 2.01 -4.23 -1.26 -1.01 115.64 114.89 3hum s THR 127 Ca 0.02 0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 3hum s THR 127 Cb -0.12 -3.40 0.15 0.00 1.34 0.00 0.00 72.50 70.47 3hum s THR 127 CO 0.02 -0.59 1.70 0.40 -0.54 0.00 0.00 174.62 175.61 3hum h ILE 128 N 0.20 0.63 -0.61 2.99 1.08 -1.09 0.11 117.51 120.82 3hum h ILE 128 Ca -0.46 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.05 3hum h ILE 128 Cb 1.22 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.27 3hum h ILE 128 CO 0.57 0.04 0.11 0.00 -0.69 0.00 0.00 178.15 178.18 3hum h ALA 129 N 1.47 0.70 -0.08 1.87 0.00 -1.64 0.50 119.26 122.08 3hum h ALA 129 Ca 0.30 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 3hum h ALA 129 Cb 0.44 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hum h ALA 129 CO -0.40 -0.33 -0.65 -0.44 0.00 0.00 0.00 179.25 177.43 3hum h ASP 130 N 0.23 0.37 -0.17 0.00 5.19 -1.45 -1.29 116.42 119.29 3hum h ASP 130 Ca 0.32 -0.22 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 3hum h ASP 130 Cb 0.49 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 3hum h ASP 130 CO -0.43 0.92 -0.26 -0.07 -3.12 0.00 0.00 179.24 176.28 3hum h LEU 131 N 0.23 0.65 -0.65 1.55 3.38 -0.06 -2.58 115.31 117.82 3hum h LEU 131 Ca -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hum h LEU 131 Cb 1.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3hum h LEU 131 CO 0.11 0.88 0.42 -0.07 0.09 0.00 0.00 178.44 179.87 3hum h LEU 132 N 0.55 0.77 -0.97 1.67 3.38 -0.64 -2.01 115.31 118.06 3hum h LEU 132 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hum h LEU 132 Cb 0.74 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3hum h LEU 132 CO 0.06 0.58 0.14 -0.61 0.09 0.00 0.00 178.44 178.69 3hum h GLN 133 N 0.89 0.89 0.00 1.13 5.75 -0.87 -1.99 115.11 120.91 3hum h GLN 133 Ca 0.24 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3hum h GLN 133 Cb -0.07 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.35 3hum h GLN 133 CO -0.05 0.80 -0.76 -0.84 -2.65 0.00 0.00 178.83 175.33 3hum h ILE 134 N 0.85 0.00 -0.09 2.39 3.07 -1.42 0.49 117.51 122.81 3hum h ILE 134 Ca 0.19 -0.96 -0.00 0.00 1.55 0.00 0.00 64.86 65.63 3hum h ILE 134 Cb 0.31 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 38.43 3hum h ILE 134 CO -0.00 0.00 0.06 0.74 -1.05 0.00 0.00 178.15 177.89 3hum h THR 135 N 0.00 1.04 0.04 0.16 2.02 -0.76 -1.10 112.91 114.31 3hum h THR 135 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3hum h THR 135 Cb 0.98 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3hum h THR 135 CO 0.00 0.04 -0.02 1.62 0.37 0.00 0.00 175.52 177.53 3hum h VAL 136 N 0.10 1.26 -0.28 3.16 3.04 -1.34 -2.94 116.25 119.24 3hum h VAL 136 Ca 0.03 -1.69 -0.10 0.00 -1.01 0.00 0.00 66.70 63.94 3hum h VAL 136 Cb 0.02 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 3hum h VAL 136 CO -0.01 0.39 -0.25 0.28 -1.01 0.00 0.00 177.57 176.97 3hum h SER 137 N -0.89 0.55 -0.01 3.17 0.02 -0.97 -3.18 113.55 112.24 3hum h SER 137 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3hum h SER 137 Cb 0.67 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hum h SER 137 CO 0.01 0.79 -0.07 -3.20 -1.14 0.00 0.00 176.83 173.22 3hum n ASN 138 N -4.12 1.70 -4.15 3.07 5.15 -0.52 -4.51 115.26 111.89 3hum n ASN 138 Ca -0.00 -1.35 -0.34 0.00 -0.60 0.00 0.00 54.58 52.29 3hum n ASN 138 Cb 0.41 0.15 -0.04 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.34 -1.02 -4.60 1.20 7.64 -1.11 -4.14 113.62 111.93 3hum n SER 139 Ca 0.06 -1.22 -0.43 0.00 1.01 0.00 0.00 58.87 58.29 3hum n SER 139 Cb 0.26 -1.99 -0.03 0.00 -1.01 0.00 0.00 64.21 61.44 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 -4.10 5.78 0.14 6.43 0.15 -0.61 -4.12 113.70 117.37 3hum s SER 140 Ca 0.16 1.33 -0.18 0.00 0.70 0.00 0.00 55.95 57.96 3hum s SER 140 Cb -0.08 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3hum s SER 140 CO 0.96 -1.79 1.71 0.78 1.20 0.00 0.00 173.24 176.10 3hum h ASN 141 N 13.37 -0.12 -0.52 5.45 2.35 -1.72 -2.33 115.58 132.06 3hum h ASN 141 Ca -0.34 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3hum h ASN 141 Cb 1.18 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 3hum h ASN 141 CO 1.03 -0.02 0.23 0.00 -1.65 0.00 0.00 177.43 177.01 3hum h ALA 142 N 1.25 0.67 -0.82 -0.83 0.00 -1.81 -1.80 119.26 115.91 3hum h ALA 142 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hum h ALA 142 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hum h ALA 142 CO -0.23 0.26 0.44 0.00 0.00 0.00 0.00 179.25 179.71 3hum h ALA 143 N 1.07 1.23 -0.68 0.00 0.00 -1.89 0.39 119.26 119.37 3hum h ALA 143 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hum h ALA 143 Cb 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hum h ALA 143 CO -0.02 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.14 3hum h ALA 144 N 1.33 1.22 -0.42 0.00 0.00 -0.99 0.95 119.26 121.36 3hum h ALA 144 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hum h ALA 144 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hum h ALA 144 CO -0.04 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.70 3hum h LEU 145 N 0.98 0.74 -0.68 0.00 3.38 -0.62 -1.82 115.31 117.29 3hum h LEU 145 Ca 0.23 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3hum h LEU 145 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hum h LEU 145 CO -0.02 0.88 -0.14 0.40 0.09 0.00 0.00 178.44 179.64 3hum h ILE 146 N 0.59 1.27 -0.31 1.22 2.04 0.17 -2.56 117.51 119.93 3hum h ILE 146 Ca 0.12 -1.26 -0.15 0.00 1.00 0.00 0.00 64.86 64.57 3hum h ILE 146 Cb 0.50 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3hum h ILE 146 CO 0.02 0.43 -0.40 -0.07 0.00 0.00 0.00 178.15 178.14 3hum h LEU 147 N 0.77 0.79 -0.88 1.44 3.38 -0.76 -2.15 115.31 117.90 3hum h LEU 147 Ca 0.12 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3hum h LEU 147 Cb 0.67 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 3hum h LEU 147 CO 0.05 1.09 0.52 0.00 0.09 0.00 0.00 178.44 180.19 3hum h ALA 148 N 0.95 1.27 0.00 1.53 0.00 -1.07 -1.65 119.26 120.29 3hum h ALA 148 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hum h ALA 148 Cb 0.95 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hum h ALA 148 CO 0.09 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.12 3hum n LYS 149 N -4.70 0.07 0.05 0.00 5.02 -0.99 -1.83 118.16 115.79 3hum n LYS 149 Ca 0.15 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.57 3hum n LYS 149 Cb 0.29 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3hum n LYS 149 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3hum h LYS 150 N 0.00 0.00 0.00 1.97 1.79 -0.69 -3.38 116.57 116.26 3hum h LYS 150 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 3hum h LYS 150 Cb 0.51 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 3hum h LYS 150 CO 0.00 0.26 -1.45 0.28 -1.08 0.00 0.00 179.45 177.45 3hum h VAL 151 N 0.00 0.78 -3.51 0.50 2.07 -1.09 -3.48 116.25 111.51 3hum h VAL 151 Ca -0.12 -2.45 -0.35 0.00 0.82 0.00 0.00 66.70 64.60 3hum h VAL 151 Cb 1.47 2.30 -0.14 0.00 -1.52 0.00 0.00 31.29 33.40 3hum h VAL 151 CO 0.04 0.44 -0.65 -0.44 0.02 0.00 0.00 177.57 176.98 3hum s SER 152 N -6.04 1.56 0.13 0.57 0.01 -0.76 -5.06 113.70 104.10 3hum s SER 152 Ca -0.03 -1.23 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 3hum s SER 152 Cb 0.08 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 3hum s SER 152 CO 0.81 -0.56 1.68 0.11 0.41 0.00 0.00 173.24 175.70 3hum h LYS 153 N 2.53 -0.12 0.00 12.44 1.57 -1.85 -3.41 116.57 127.73 3hum h LYS 153 Ca -0.38 0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.14 3hum h LYS 153 Cb 1.22 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 3hum h LYS 153 CO 0.63 -0.08 -0.24 0.27 -0.57 0.00 0.00 179.45 179.46 3hum n ASN 154 N -5.26 -0.60 0.08 0.86 0.23 -1.26 -4.96 115.26 104.35 3hum n ASN 154 Ca -0.03 -2.38 -0.08 0.00 -0.53 0.00 0.00 54.58 51.56 3hum n ASN 154 Cb 0.18 1.28 -0.05 0.00 -2.08 0.00 0.00 39.78 39.10 3hum n ASN 154 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3hum h THR 155 N 1.69 1.59 -0.41 5.53 1.35 -1.89 -2.79 112.91 117.99 3hum h THR 155 Ca -0.16 -2.99 -0.02 0.00 -0.55 0.00 0.00 66.41 62.70 3hum h THR 155 Cb 0.78 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.85 3hum h THR 155 CO 0.23 0.86 0.19 0.28 -0.25 0.00 0.00 175.52 176.83 3hum h SER 156 N 0.04 0.54 -0.87 5.36 0.02 -1.96 0.32 113.55 117.00 3hum h SER 156 Ca -0.04 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3hum h SER 156 Cb 1.64 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 3hum h SER 156 CO 0.13 0.53 0.47 0.44 -1.14 0.00 0.00 176.83 177.26 3hum h ASP 157 N 0.52 1.10 -0.47 3.07 3.32 -1.96 -0.47 116.42 121.51 3hum h ASP 157 Ca 0.14 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hum h ASP 157 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3hum h ASP 157 CO -0.02 0.89 0.31 0.15 -1.72 0.00 0.00 179.24 178.85 3hum h PHE 158 N 1.23 0.60 -0.20 4.55 3.57 -0.91 -0.90 116.94 124.88 3hum h PHE 158 Ca 0.31 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 3hum h PHE 158 Cb 0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hum h PHE 158 CO 0.01 0.38 -0.19 0.28 -2.23 0.00 0.00 178.31 176.56 3hum h VAL 159 N 0.64 1.23 -0.64 1.41 2.07 -0.71 -0.82 116.25 119.43 3hum h VAL 159 Ca 0.17 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3hum h VAL 159 Cb -0.07 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3hum h VAL 159 CO -0.04 0.33 0.37 0.44 0.02 0.00 0.00 177.57 178.70 3hum h ASP 160 N 0.31 0.58 -0.71 0.57 3.32 -0.30 -1.97 116.42 118.23 3hum h ASP 160 Ca 0.05 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3hum h ASP 160 Cb 0.53 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3hum h ASP 160 CO 0.03 0.39 0.36 0.25 -1.72 0.00 0.00 179.24 178.56 3hum h LEU 161 N 0.72 0.92 -0.35 1.55 5.85 -0.23 0.21 115.31 123.97 3hum h LEU 161 Ca 0.27 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3hum h LEU 161 Cb 0.10 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3hum h LEU 161 CO -0.14 0.78 0.05 0.24 -0.34 0.00 0.00 178.44 179.02 3hum h MET 162 N 0.99 0.15 -0.31 1.25 2.86 -0.77 0.16 114.93 119.26 3hum h MET 162 Ca 0.25 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.70 3hum h MET 162 Cb 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 3hum h MET 162 CO -0.03 0.10 -0.49 -0.91 1.06 0.00 0.00 176.91 176.63 3hum h ASN 163 N 0.16 0.93 -0.69 1.22 2.35 -1.04 0.97 115.58 119.49 3hum h ASN 163 Ca 0.17 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 3hum h ASN 163 Cb 0.21 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3hum h ASN 163 CO -0.24 1.26 0.39 0.78 -1.65 0.00 0.00 177.43 177.97 3hum h ASN 164 N 0.67 0.85 -0.46 5.81 2.35 -0.42 0.68 115.58 125.05 3hum h ASN 164 Ca 0.03 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3hum h ASN 164 Cb 1.08 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3hum h ASN 164 CO 0.11 0.69 0.22 0.50 -1.65 0.00 0.00 177.43 177.29 3hum h LYS 165 N 0.94 0.66 -0.44 0.81 1.63 -0.54 0.31 116.57 119.93 3hum h LYS 165 Ca 0.24 -0.10 0.09 0.00 -0.85 0.00 0.00 60.65 60.03 3hum h LYS 165 Cb 0.02 -0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 31.45 3hum h LYS 165 CO -0.04 0.56 -0.09 0.00 -3.45 0.00 0.00 179.45 176.43 3hum h ALA 166 N 1.06 0.32 -0.23 5.00 0.00 -0.18 -0.87 119.26 124.36 3hum h ALA 166 Ca 0.16 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3hum h ALA 166 Cb 0.12 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hum h ALA 166 CO -0.02 -0.44 0.05 0.87 0.00 0.00 0.00 179.25 179.71 3hum h LYS 167 N 0.02 0.37 -0.99 0.00 1.57 -0.57 -0.82 116.57 116.15 3hum h LYS 167 Ca 0.21 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3hum h LYS 167 Cb 0.33 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3hum h LYS 167 CO -0.44 0.49 0.64 0.00 -0.57 0.00 0.00 179.45 179.57 3hum h ALA 168 N 0.86 1.42 -0.01 3.86 0.00 -0.49 -2.76 119.26 122.15 3hum h ALA 168 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hum h ALA 168 Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hum h ALA 168 CO 0.00 0.43 -0.53 0.44 0.00 0.00 0.00 179.25 179.59 3hum n ILE 169 N -4.50 0.00 -0.09 0.00 -5.35 -0.37 -4.95 119.36 104.10 3hum n ILE 169 Ca 0.15 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3hum n ILE 169 Cb 0.19 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.43 1.62 3.00 3.28 0.00 -0.82 -4.99 105.19 108.71 3hum n GLY 170 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.32 2.61 -0.25 1.61 2.81 -0.37 -4.78 117.12 117.42 3hum n MET 171 Ca 0.00 -2.59 0.00 0.00 -1.81 0.00 0.00 57.70 53.30 3hum n MET 171 Cb 0.02 -3.29 0.22 0.00 -0.71 0.00 0.00 33.22 29.46 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 6.83 1.06 -0.93 0.03 1.57 -1.93 -2.71 116.57 120.49 3hum h LYS 172 Ca 0.50 -0.06 -0.37 0.00 -1.87 0.00 0.00 60.65 58.85 3hum h LYS 172 Cb 0.71 -0.24 -0.22 0.00 0.08 0.00 0.00 32.23 32.56 3hum h LYS 172 CO 1.78 0.70 0.47 0.09 -0.57 0.00 0.00 179.45 181.93 3hum n ASN 173 N -4.41 3.95 -4.50 0.86 3.02 -1.26 -4.95 115.26 107.97 3hum n ASN 173 Ca 0.09 -3.30 -0.32 0.00 -0.03 0.00 0.00 54.58 51.03 3hum n ASN 173 Cb 0.03 -0.77 -0.12 0.00 -0.61 0.00 0.00 39.78 38.31 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 -2.83 3.07 -0.15 3.41 2.01 -1.02 -4.10 115.64 116.03 3hum s THR 174 Ca 0.50 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 3hum s THR 174 Cb 0.41 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 70.70 3hum s THR 174 CO 0.10 0.42 0.36 -2.28 -0.69 0.00 0.00 174.62 172.54 3hum s HIS 175 N -0.89 -0.54 0.10 4.92 5.04 -0.32 -4.98 115.29 118.62 3hum s HIS 175 Ca 0.14 1.16 0.04 0.00 -1.54 0.00 0.00 55.06 54.87 3hum s HIS 175 Cb -0.11 0.20 -0.04 0.00 0.04 0.00 0.00 32.58 32.68 3hum s HIS 175 CO 0.05 -0.33 0.08 -0.06 -2.34 0.00 0.00 174.74 172.14 3hum s PHE 176 N 1.49 3.14 0.00 3.88 0.08 -1.26 -2.04 117.98 123.27 3hum s PHE 176 Ca -0.09 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.00 3hum s PHE 176 Cb -0.09 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 3hum s PHE 176 CO -0.12 0.51 0.17 1.33 -0.10 0.00 0.00 175.22 177.02 3hum n VAL 177 N 0.27 0.00 -3.82 -0.44 0.24 -1.26 -4.91 118.33 108.41 3hum n VAL 177 Ca -0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3hum n VAL 177 Cb 0.52 1.56 0.01 0.00 -1.47 0.00 0.00 33.84 34.46 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 -0.04 -0.03 0.02 -1.34 2.20 -1.26 -4.65 114.94 109.83 3hum s ASN 178 Ca 0.00 -0.34 0.26 0.00 -0.94 0.00 0.00 52.86 51.85 3hum s ASN 178 Cb 0.00 0.29 0.76 0.00 -2.00 0.00 0.00 41.25 40.30 3hum s ASN 178 CO 0.00 -0.56 1.60 -2.65 -2.94 0.00 0.00 177.10 172.55 3hum n PRO 179 N -0.68 0.04 -0.06 3.55 -0.02 -1.26 -4.43 135.00 132.15 3hum n PRO 179 Ca -0.03 0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 3hum n PRO 179 Cb 0.60 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.60 0.72 -0.04 3.45 -2.24 -1.26 -4.13 114.28 109.20 3hum n THR 180 Ca 0.06 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3hum n THR 180 Cb 0.35 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 2.56 0.38 3.74 3.38 0.00 -1.26 -4.05 105.19 109.94 3hum n GLY 181 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.11 1.66 0.19 4.61 0.00 -1.26 -4.34 121.76 120.51 3hum s ALA 182 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 3hum s ALA 182 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 3hum s ALA 182 CO 0.00 -2.27 1.40 -1.21 0.00 0.00 0.00 175.76 173.68 3hum s GLU 183 N -5.06 4.31 0.33 0.00 8.01 -1.26 -4.83 118.70 120.21 3hum s GLU 183 Ca 0.63 2.18 0.12 0.00 0.01 0.00 0.00 54.97 57.91 3hum s GLU 183 Cb -0.17 -3.17 0.98 0.00 -4.31 0.00 0.00 34.13 27.46 3hum s GLU 183 CO 0.56 -0.39 1.71 -0.91 0.01 0.00 0.00 175.26 176.24 3hum h ASN 184 N 5.72 0.60 0.48 -0.19 2.35 -1.73 0.35 115.58 123.16 3hum h ASN 184 Ca -0.44 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3hum h ASN 184 Cb 1.21 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 3hum h ASN 184 CO 0.81 0.02 -0.11 0.77 -1.65 0.00 0.00 177.43 177.27 3hum h SER 185 N 0.48 0.00 0.87 5.81 4.64 -1.88 -1.66 113.55 121.81 3hum h SER 185 Ca 0.67 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.91 3hum h SER 185 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3hum h SER 185 CO -0.50 0.11 -0.41 0.03 -0.87 0.00 0.00 176.83 175.18 3hum h ARG 186 N 0.00 0.00 0.00 4.77 3.08 -1.30 -2.52 114.38 118.40 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hum h ARG 186 CO 0.01 0.41 0.00 1.28 -1.07 0.00 0.00 179.97 180.60 3hum n LEU 187 N -3.53 0.00 0.00 3.04 4.77 -0.62 -4.79 117.00 115.86 3hum n LEU 187 Ca -0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hum n LEU 187 Cb 0.54 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hum n LEU 187 CO 0.37 -0.12 0.00 0.54 -1.33 0.00 0.00 177.39 176.86 3hum n ARG 188 N -1.39 0.00 0.17 3.23 1.74 -0.95 -0.62 116.66 118.84 3hum n ARG 188 Ca 0.07 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 3hum n ARG 188 Cb 0.20 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.26 3hum n ARG 188 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hum h SER 189 N 0.00 0.00 0.10 0.55 4.64 -1.93 -1.75 113.55 115.16 3hum h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hum h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hum h SER 189 CO 0.00 0.00 -0.11 0.49 -0.87 0.00 0.00 176.83 176.34 3hum n PHE 190 N -2.36 0.00 -1.91 4.77 3.72 0.21 -4.89 117.46 117.00 3hum n PHE 190 Ca -0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 3hum n PHE 190 Cb 0.11 -0.06 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3hum n PHE 190 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hum s ALA 191 N -2.22 3.16 0.33 4.37 0.00 -0.66 -4.90 121.76 121.84 3hum s ALA 191 Ca 0.32 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 3hum s ALA 191 Cb 0.20 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3hum s ALA 191 CO 0.41 -1.07 1.10 -1.25 0.00 0.00 0.00 175.76 174.96 3hum s PRO 192 N -2.47 4.42 0.15 0.00 0.04 -1.26 -4.85 135.00 131.03 3hum s PRO 192 Ca 0.61 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 3hum s PRO 192 Cb -0.40 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.25 3hum s PRO 192 CO 0.51 0.03 1.64 1.15 0.04 0.00 0.00 177.00 180.37 3hum h THR 193 N 2.74 0.44 0.00 1.26 2.02 -1.94 -0.13 112.91 117.30 3hum h THR 193 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3hum h THR 193 Cb 1.22 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3hum h THR 193 CO 0.65 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.83 3hum n LYS 194 N -5.36 0.17 0.00 6.66 5.02 -1.26 -2.46 118.16 120.92 3hum n LYS 194 Ca -0.00 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3hum n LYS 194 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3hum n LYS 194 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hum n TYR 195 N -1.35 0.00 -0.49 2.13 4.02 -0.54 -4.80 117.16 116.13 3hum n TYR 195 Ca 0.07 -0.06 0.41 0.00 -0.01 0.00 0.00 57.90 58.31 3hum n TYR 195 Cb 0.15 -0.01 0.72 0.00 -0.02 0.00 0.00 39.34 40.19 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 0.00 0.06 0.00 -0.72 3.64 -0.74 0.27 116.57 119.08 3hum h LYS 196 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hum h LYS 196 Cb 0.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3hum h LYS 196 CO 0.00 0.04 -0.41 -0.25 -2.27 0.00 0.00 179.45 176.56 3hum n ASP 197 N -4.30 0.75 -4.75 4.20 8.00 -1.26 -4.79 116.55 114.39 3hum n ASP 197 Ca 0.36 0.28 -0.38 0.00 0.71 0.00 0.00 54.79 55.75 3hum n ASP 197 Cb 1.53 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 42.40 3hum n ASP 197 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hum s GLN 198 N -3.14 4.27 -0.24 -1.24 -0.21 0.93 -4.99 119.66 115.03 3hum s GLN 198 Ca 0.08 0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.96 3hum s GLN 198 Cb 0.13 -3.38 -0.18 0.00 1.00 0.00 0.00 33.01 30.58 3hum s GLN 198 CO 0.68 0.30 -0.14 0.39 -2.12 0.00 0.00 175.29 174.40 3hum n GLU 199 N 3.12 0.66 -4.20 2.91 -0.58 -1.26 -4.36 120.64 116.93 3hum n GLU 199 Ca -0.08 0.19 -0.31 0.00 -0.42 0.00 0.00 57.16 56.54 3hum n GLU 199 Cb 0.52 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.52 2.60 0.21 3.49 0.52 -1.26 -2.93 118.95 119.06 3hum s ARG 200 Ca -0.33 -0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 3hum s ARG 200 Cb 0.09 -2.56 -0.06 0.00 0.52 0.00 0.00 34.95 32.94 3hum s ARG 200 CO 0.61 0.57 0.48 0.99 0.02 0.00 0.00 175.30 177.97 3hum s THR 201 N -1.22 5.06 -0.06 0.02 2.01 -1.26 -4.68 115.64 115.51 3hum s THR 201 Ca 0.23 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 3hum s THR 201 Cb -0.12 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.75 3hum s THR 201 CO 0.15 -0.11 0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 3hum s VAL 202 N -1.84 -0.00 0.12 3.82 1.01 -0.87 -4.35 120.40 118.28 3hum s VAL 202 Ca 0.44 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 3hum s VAL 202 Cb -0.11 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.06 3hum s VAL 202 CO 0.25 0.00 0.21 1.07 0.00 0.00 0.00 175.10 176.63 3hum n THR 203 N 3.08 0.00 -4.14 3.92 5.66 -0.53 -1.18 114.28 121.09 3hum n THR 203 Ca -0.13 -0.41 -0.10 0.00 -3.05 0.00 0.00 64.05 60.36 3hum n THR 203 Cb 0.59 0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.65 0.53 0.24 1.09 -4.23 -1.26 0.88 115.64 110.25 3hum s THR 204 Ca 0.07 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 3hum s THR 204 Cb -0.01 -1.53 0.22 0.00 1.34 0.00 0.00 72.50 72.51 3hum s THR 204 CO 0.05 -0.87 1.86 0.00 -0.54 0.00 0.00 174.62 175.12 3hum h ALA 205 N 3.16 1.19 -0.67 3.99 0.00 -1.71 -2.01 119.26 123.21 3hum h ALA 205 Ca -0.35 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hum h ALA 205 Cb 1.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hum h ALA 205 CO 0.63 0.33 0.44 -0.09 0.00 0.00 0.00 179.25 180.56 3hum h ARG 206 N 1.03 0.87 -0.20 0.00 2.43 -1.33 0.53 114.38 117.71 3hum h ARG 206 Ca 0.37 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3hum h ARG 206 Cb 0.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3hum h ARG 206 CO -0.16 0.58 0.11 -0.44 -1.51 0.00 0.00 179.97 178.55 3hum h ASP 207 N 0.90 0.26 0.26 -3.80 5.19 -1.67 -0.61 116.42 116.94 3hum h ASP 207 Ca 0.25 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 3hum h ASP 207 Cb -0.10 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3hum h ASP 207 CO -0.06 0.28 -0.18 1.88 -3.12 0.00 0.00 179.24 178.04 3hum h TYR 208 N 0.22 0.00 -0.51 4.55 -1.99 -1.35 0.81 116.97 118.70 3hum h TYR 208 Ca 0.07 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 3hum h TYR 208 Cb 0.08 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 3hum h TYR 208 CO -0.03 0.18 -0.08 0.00 -0.00 0.00 0.00 178.16 178.23 3hum h ALA 209 N 1.82 0.90 -0.37 3.88 0.00 -0.23 -0.10 119.26 125.16 3hum h ALA 209 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3hum h ALA 209 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hum h ALA 209 CO 0.02 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 3hum h ILE 210 N 0.83 1.26 -0.19 0.00 2.04 0.16 -2.10 117.51 119.51 3hum h ILE 210 Ca 0.14 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3hum h ILE 210 Cb 0.60 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3hum h ILE 210 CO 0.04 0.33 -0.08 0.25 0.00 0.00 0.00 178.15 178.70 3hum h LEU 211 N 0.47 -0.26 -0.74 1.44 5.85 -0.76 -2.48 115.31 118.83 3hum h LEU 211 Ca 0.10 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.06 3hum h LEU 211 Cb 0.48 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 3hum h LEU 211 CO 0.02 -0.10 0.10 0.44 -0.34 0.00 0.00 178.44 178.55 3hum h ASP 212 N -0.05 -0.16 -0.87 1.25 3.32 -0.80 0.61 116.42 119.72 3hum h ASP 212 Ca 0.10 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3hum h ASP 212 Cb 0.20 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 3hum h ASP 212 CO -0.22 -0.11 0.58 -0.07 -1.72 0.00 0.00 179.24 177.69 3hum h LEU 213 N 0.18 0.94 0.07 1.55 3.38 -0.93 -1.24 115.31 119.27 3hum h LEU 213 Ca 0.41 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.22 3hum h LEU 213 Cb 0.73 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.27 3hum h LEU 213 CO -0.58 0.65 -0.62 0.45 0.09 0.00 0.00 178.44 178.43 3hum h HIS 214 N 1.10 0.49 -0.72 1.13 3.86 -1.03 -2.90 115.15 117.06 3hum h HIS 214 Ca 0.35 -0.32 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3hum h HIS 214 Cb 0.01 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 3hum h HIS 214 CO -0.00 1.20 0.42 0.28 0.86 0.00 0.00 177.93 180.69 3hum h VAL 215 N -0.36 1.00 -0.08 2.45 2.07 -0.82 0.39 116.25 120.90 3hum h VAL 215 Ca -0.10 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3hum h VAL 215 Cb 1.42 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hum h VAL 215 CO 0.12 0.14 -0.35 0.40 0.02 0.00 0.00 177.57 177.90 3hum h ILE 216 N 0.78 1.28 0.07 4.57 1.08 -1.24 -0.98 117.51 123.06 3hum h ILE 216 Ca 0.32 -1.32 -0.26 0.00 -0.39 0.00 0.00 64.86 63.21 3hum h ILE 216 Cb 0.16 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 3hum h ILE 216 CO -0.17 0.39 -1.35 0.50 -0.69 0.00 0.00 178.15 176.83 3hum h LYS 217 N 0.14 0.15 0.00 2.37 1.63 -1.17 -3.34 116.57 116.35 3hum h LYS 217 Ca 0.02 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 3hum h LYS 217 Cb 0.69 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3hum h LYS 217 CO 0.05 1.12 -1.63 0.39 -3.45 0.00 0.00 179.45 175.93 3hum n GLU 218 N -4.08 0.64 -3.13 1.90 1.02 0.13 -4.56 120.64 112.56 3hum n GLU 218 Ca -0.27 0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.66 3hum n GLU 218 Cb 0.82 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.58 0.84 0.23 2.62 -2.24 -0.37 -4.92 114.28 107.86 3hum n THR 219 Ca -0.08 -4.84 0.15 0.00 -2.27 0.00 0.00 64.05 57.01 3hum n THR 219 Cb 0.69 -0.88 0.77 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.17 0.00 0.00 -0.78 0.13 -1.68 0.20 132.00 133.05 3hum h PRO 220 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3hum h PRO 220 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3hum h PRO 220 CO 0.61 0.00 -0.02 -0.22 -0.23 0.00 0.00 178.00 178.13 3hum h LYS 221 N 0.00 0.00 0.00 0.86 1.63 -1.91 -2.57 116.57 114.58 3hum h LYS 221 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3hum h LYS 221 Cb 0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3hum h LYS 221 CO 0.00 0.02 -0.13 0.97 -3.45 0.00 0.00 179.45 176.87 3hum h ILE 222 N 0.00 0.67 -0.31 2.00 2.10 -1.29 -1.69 117.51 118.99 3hum h ILE 222 Ca -0.00 -0.52 0.09 0.00 1.08 0.00 0.00 64.86 65.51 3hum h ILE 222 Cb 0.19 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 3hum h ILE 222 CO 0.00 0.12 0.23 -0.07 -1.08 0.00 0.00 178.15 177.35 3hum h LEU 223 N 0.00 0.00 -1.05 2.19 3.38 -1.67 -1.71 115.31 116.45 3hum h LEU 223 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hum h LEU 223 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hum h LEU 223 CO 0.02 0.00 -0.37 0.44 0.09 0.00 0.00 178.44 178.62 3hum h ASP 224 N 0.00 0.00 0.19 -0.43 3.32 -1.52 -1.76 116.42 116.22 3hum h ASP 224 Ca 0.15 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.87 3hum h ASP 224 Cb 0.60 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.17 3hum h ASP 224 CO -0.00 0.37 -1.57 -0.26 -1.72 0.00 0.00 179.24 176.06 3hum h PHE 225 N 0.00 0.75 0.00 4.55 0.04 -1.53 -3.38 116.94 117.36 3hum h PHE 225 Ca -0.00 -0.55 -0.16 0.00 2.80 0.00 0.00 57.97 60.06 3hum h PHE 225 Cb 0.84 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 3hum h PHE 225 CO 0.00 1.61 -0.75 1.79 -0.60 0.00 0.00 178.31 180.36 3hum h THR 226 N 0.03 1.33 0.00 -1.55 1.35 -1.16 -2.80 112.91 110.11 3hum h THR 226 Ca -0.30 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 3hum h THR 226 Cb 2.04 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 71.05 3hum h THR 226 CO 0.19 0.73 0.00 2.29 -0.25 0.00 0.00 175.52 178.48 3hum n LYS 227 N -3.34 0.07 -2.32 4.72 2.85 -0.68 -4.42 118.16 115.04 3hum n LYS 227 Ca 0.01 0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 3hum n LYS 227 Cb 0.81 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 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 -2.90 4.30 0.28 -1.58 -1.52 -1.06 -4.89 119.66 112.29 3hum s GLN 228 Ca 0.13 1.84 0.19 0.00 -1.95 0.00 0.00 55.36 55.57 3hum s GLN 228 Cb 0.14 -3.61 0.11 0.00 -0.22 0.00 0.00 33.01 29.43 3hum s GLN 228 CO 0.38 -0.56 1.32 -0.07 -0.25 0.00 0.00 175.29 176.11 3hum h LEU 229 N 8.54 0.00 -5.00 2.90 3.38 -1.89 -3.43 115.31 119.81 3hum h LEU 229 Ca -0.35 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3hum h LEU 229 Cb 1.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 3hum h LEU 229 CO 0.90 0.25 -0.30 0.00 0.09 0.00 0.00 178.44 179.38 3hum n ALA 230 N -2.20 -2.39 -2.00 1.53 0.00 -1.26 -0.51 120.51 113.69 3hum n ALA 230 Ca 0.00 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.20 3hum n ALA 230 Cb 0.65 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 3hum n ALA 230 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hum s PRO 231 N 0.51 4.38 -0.14 0.00 0.04 -1.25 -4.60 135.00 133.93 3hum s PRO 231 Ca 0.29 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 3hum s PRO 231 Cb 0.20 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 3hum s PRO 231 CO -0.16 0.38 -0.05 0.99 0.04 0.00 0.00 177.00 178.19 3hum s THR 232 N -1.52 3.83 -0.23 1.26 2.01 -1.26 -1.15 115.64 118.58 3hum s THR 232 Ca 0.44 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 3hum s THR 232 Cb -0.18 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.74 3hum s THR 232 CO 0.22 0.51 0.62 0.28 -0.69 0.00 0.00 174.62 175.56 3hum s THR 233 N 0.17 -0.00 -1.44 -0.82 -1.32 -0.47 -4.93 115.64 106.84 3hum s THR 233 Ca -0.02 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3hum s THR 233 Cb -0.14 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3hum s THR 233 CO 0.03 0.00 0.35 1.41 -2.21 0.00 0.00 174.62 174.20 3hum n HIS 234 N 2.90 -1.58 -1.03 9.09 8.25 -1.26 -2.03 115.22 129.56 3hum n HIS 234 Ca -0.14 0.72 -0.01 0.00 -0.26 0.00 0.00 57.72 58.03 3hum n HIS 234 Cb 0.56 -3.56 -0.01 0.00 1.12 0.00 0.00 29.99 28.11 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 -4.43 -0.02 -2.53 -1.41 0.00 -1.26 -4.99 120.51 105.87 3hum n ALA 235 Ca -0.31 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 3hum n ALA 235 Cb 0.69 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.80 1.34 -0.18 0.00 1.01 -0.86 -5.13 120.40 114.78 3hum s VAL 236 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 3hum s VAL 236 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3hum s VAL 236 CO 0.00 0.29 -0.03 -0.89 0.00 0.00 0.00 175.10 174.47 3hum s THR 237 N -0.52 3.80 -0.95 3.92 2.01 -1.26 -1.36 115.64 121.27 3hum s THR 237 Ca 0.06 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 3hum s THR 237 Cb -0.07 -2.68 0.24 0.00 0.01 0.00 0.00 72.50 70.00 3hum s THR 237 CO 0.00 0.47 0.93 -0.31 -0.69 0.00 0.00 174.62 175.01 3hum s TYR 238 N 0.69 3.94 -0.03 4.92 2.02 -0.30 -4.91 117.35 123.68 3hum s TYR 238 Ca -0.02 -2.25 -0.34 0.00 -0.37 0.00 0.00 57.07 54.08 3hum s TYR 238 Cb -0.14 -3.85 -0.12 0.00 -0.40 0.00 0.00 41.96 37.44 3hum s TYR 238 CO 0.02 -1.00 1.80 0.66 -1.57 0.00 0.00 175.55 175.46 3hum n TYR 239 N 3.58 2.30 -1.72 2.71 4.01 -1.26 -3.82 117.16 122.96 3hum n TYR 239 Ca 0.19 0.08 -0.39 0.00 -0.16 0.00 0.00 57.90 57.62 3hum n TYR 239 Cb 0.44 -2.63 0.04 0.00 -0.31 0.00 0.00 39.34 36.88 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 4.69 3.71 -0.53 -0.72 5.66 0.34 -4.89 114.28 122.53 3hum n THR 240 Ca 0.21 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.79 3hum n THR 240 Cb 0.29 -1.56 0.27 0.00 -1.55 0.00 0.00 70.33 67.77 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 -1.07 0.99 -2.85 1.09 1.16 -1.26 -4.79 117.46 110.71 3hum n PHE 241 Ca 0.11 -0.62 -0.43 0.00 -1.87 0.00 0.00 57.45 54.63 3hum n PHE 241 Cb 0.44 -0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 38.13 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 -1.17 6.72 0.32 5.98 3.84 -1.26 -4.91 114.94 124.45 3hum s ASN 242 Ca 0.40 -2.18 0.26 0.00 0.21 0.00 0.00 52.86 51.54 3hum s ASN 242 Cb 0.26 -2.44 0.95 0.00 -0.55 0.00 0.00 41.25 39.46 3hum s ASN 242 CO 0.19 -1.07 1.77 -0.26 -2.79 0.00 0.00 177.10 174.94 3hum h PHE 243 N 8.54 0.00 0.00 0.43 0.04 -1.93 -2.50 116.94 121.52 3hum h PHE 243 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3hum h PHE 243 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3hum h PHE 243 CO 1.19 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 179.33 3hum n SER 244 N -2.48 0.00 -4.78 2.17 7.64 -1.26 -0.82 113.62 114.09 3hum n SER 244 Ca 0.03 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.59 3hum n SER 244 Cb 0.33 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3hum n SER 244 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hum s LEU 245 N -2.70 4.26 -0.19 -3.43 1.43 -0.95 -0.68 118.68 116.43 3hum s LEU 245 Ca 0.21 3.02 -0.40 0.00 -1.03 0.00 0.00 54.13 55.93 3hum s LEU 245 Cb 0.17 -3.74 -0.17 0.00 0.03 0.00 0.00 46.19 42.48 3hum s LEU 245 CO 0.41 -0.96 1.54 1.21 0.23 0.00 0.00 176.35 178.78 3hum n GLU 246 N 0.27 0.84 -0.31 1.70 4.07 -0.49 -0.14 120.64 126.58 3hum n GLU 246 Ca 0.02 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 3hum n GLU 246 Cb 0.40 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 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 3.44 0.86 3.15 8.31 0.00 -1.26 -4.98 105.19 114.71 3hum n GLY 247 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.85 -0.11 -0.33 4.61 0.00 0.81 -4.89 120.51 119.75 3hum n ALA 248 Ca 0.00 -1.56 0.22 0.00 0.00 0.00 0.00 53.44 52.11 3hum n ALA 248 Cb 0.00 0.20 0.49 0.00 0.00 0.00 0.00 19.45 20.14 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 0.40 -1.20 0.00 3.64 -1.86 -1.19 116.57 116.36 3hum h LYS 249 Ca -0.28 -0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.59 3hum h LYS 249 Cb 0.99 -0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 32.30 3hum h LYS 249 CO 0.28 0.26 -0.92 -1.33 -2.27 0.00 0.00 179.45 175.47 3hum n MET 250 N -4.67 2.56 -1.67 1.90 2.81 -0.00 -5.06 117.12 112.99 3hum n MET 250 Ca 0.26 -3.99 -0.64 0.00 -1.81 0.00 0.00 57.70 51.52 3hum n MET 250 Cb 0.88 -1.87 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 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 -0.37 0.90 -4.21 7.83 2.88 -0.45 -4.03 113.62 116.17 3hum n SER 251 Ca 0.27 1.17 -0.37 0.00 -1.33 0.00 0.00 58.87 58.62 3hum n SER 251 Cb 0.75 -0.91 -0.13 0.00 -0.75 0.00 0.00 64.21 63.17 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 2.03 4.37 0.12 2.46 2.96 0.15 -4.91 118.68 125.86 3hum s LEU 252 Ca 1.00 -1.35 -0.35 0.00 -0.22 0.00 0.00 54.13 53.20 3hum s LEU 252 Cb -1.39 -1.81 -0.16 0.00 0.50 0.00 0.00 46.19 43.33 3hum s LEU 252 CO 0.72 -0.35 1.41 -2.65 -1.32 0.00 0.00 176.35 174.16 3hum n PRO 253 N 4.72 1.51 0.00 0.98 -0.02 -1.26 -1.84 135.00 139.09 3hum n PRO 253 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3hum n PRO 253 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.77 0.24 3.64 -1.23 0.00 -1.26 -4.71 105.19 104.63 3hum n GLY 254 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.69 -0.05 2.61 2.01 -0.76 -1.52 115.64 120.61 3hum s THR 255 Ca 0.00 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.72 3hum s THR 255 Cb 0.00 -4.26 0.12 0.00 0.01 0.00 0.00 72.50 68.37 3hum s THR 255 CO 0.00 -0.26 1.02 -0.90 -0.69 0.00 0.00 174.62 173.79 3hum n ASP 256 N 6.39 1.85 -3.43 3.53 5.68 -0.85 -1.40 116.55 128.33 3hum n ASP 256 Ca 0.09 -2.37 -0.00 0.00 -0.50 0.00 0.00 54.79 52.00 3hum n ASP 256 Cb 0.47 -0.19 0.02 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.81 0.44 1.55 6.12 0.00 -1.24 -1.71 105.19 109.54 3hum n GLY 257 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.36 -3.77 0.99 4.77 0.11 -2.62 117.00 116.84 3hum n LEU 258 Ca 0.01 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3hum n LEU 258 Cb 0.55 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3hum n LEU 258 CO 0.18 -0.74 -0.01 -0.75 -1.33 0.00 0.00 177.39 174.73 3hum s LYS 259 N -1.85 0.42 0.43 3.23 2.47 -0.62 -4.83 119.74 118.99 3hum s LYS 259 Ca 0.00 0.32 0.08 0.00 -1.56 0.00 0.00 55.97 54.81 3hum s LYS 259 Cb 0.00 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 3hum s LYS 259 CO 0.00 -0.07 0.51 0.95 0.16 0.00 0.00 175.35 176.90 3hum s THR 260 N -0.11 2.80 -0.10 3.43 -4.23 -1.26 -0.71 115.64 115.46 3hum s THR 260 Ca -0.03 -1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 59.10 3hum s THR 260 Cb -0.03 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.93 3hum s THR 260 CO 0.01 0.00 0.60 -0.83 -0.54 0.00 0.00 174.62 173.86 3hum s GLY 261 N -4.29 -0.47 0.01 3.99 0.00 -0.74 -3.25 107.32 102.57 3hum s GLY 261 Ca 0.52 1.29 -0.28 0.00 0.00 0.00 0.00 44.72 46.25 3hum s GLY 261 CO 0.31 0.99 0.71 -1.35 0.00 0.00 0.00 173.10 173.77 3hum s SER 262 N -0.74 -0.56 -0.11 1.64 1.04 -1.26 -1.18 113.70 112.53 3hum s SER 262 Ca -0.08 0.37 -0.33 0.00 0.48 0.00 0.00 55.95 56.39 3hum s SER 262 Cb -0.02 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.75 3hum s SER 262 CO 0.06 -0.69 1.31 -0.94 0.98 0.00 0.00 173.24 173.96 3hum s SER 263 N -1.82 -0.06 0.56 7.02 1.04 -1.06 -4.67 113.70 114.72 3hum s SER 263 Ca -0.04 -0.06 0.36 0.00 0.48 0.00 0.00 55.95 56.69 3hum s SER 263 Cb -0.00 0.11 1.66 0.00 0.10 0.00 0.00 66.02 67.88 3hum s SER 263 CO -0.00 -0.20 2.08 -2.24 0.98 0.00 0.00 173.24 173.86 3hum h ASP 264 N 2.00 0.00 0.00 7.02 3.04 -1.94 -0.06 116.42 126.48 3hum h ASP 264 Ca -0.22 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.37 3hum h ASP 264 Cb 1.18 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.43 3hum h ASP 264 CO 0.26 0.00 -2.11 0.35 -2.04 0.00 0.00 179.24 175.70 3hum n THR 265 N -3.01 0.73 0.12 1.15 -2.24 -1.26 -4.46 114.28 105.31 3hum n THR 265 Ca -0.00 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.20 3hum n THR 265 Cb 0.22 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.20 3hum n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hum h ALA 266 N 1.28 0.68 -0.94 6.98 0.00 -1.79 -3.46 119.26 122.02 3hum h ALA 266 Ca -0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hum h ALA 266 Cb 1.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3hum h ALA 266 CO 0.02 0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.72 3hum n ASN 267 N -2.93 0.00 -4.23 0.00 3.02 -0.06 -3.41 115.26 107.65 3hum n ASN 267 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 3hum n ASN 267 Cb 0.66 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.71 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 3.34 0.18 3.10 2.02 -0.61 -2.55 117.35 122.83 3hum s TYR 268 Ca 0.00 -1.69 0.05 0.00 -0.37 0.00 0.00 57.07 55.06 3hum s TYR 268 Cb 0.00 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 3hum s TYR 268 CO 0.00 -0.82 0.14 -0.80 -1.57 0.00 0.00 175.55 172.50 3hum s ASN 269 N 1.68 5.48 0.24 2.29 0.02 -0.32 -1.49 114.94 122.84 3hum s ASN 269 Ca 0.01 -0.16 -0.16 0.00 -1.02 0.00 0.00 52.86 51.53 3hum s ASN 269 Cb -0.21 -1.42 0.01 0.00 0.02 0.00 0.00 41.25 39.65 3hum s ASN 269 CO 0.01 0.05 0.54 -1.38 0.02 0.00 0.00 177.10 176.34 3hum s HIS 270 N -1.81 0.08 -0.07 2.20 -3.43 -0.46 -1.79 115.29 110.01 3hum s HIS 270 Ca 0.31 -0.46 0.01 0.00 -0.80 0.00 0.00 55.06 54.12 3hum s HIS 270 Cb -0.10 0.37 0.02 0.00 -1.43 0.00 0.00 32.58 31.44 3hum s HIS 270 CO 0.23 -1.02 -0.07 -0.08 -2.00 0.00 0.00 174.74 171.81 3hum s THR 271 N -3.95 0.79 0.10 -5.38 -1.32 0.11 -1.12 115.64 104.87 3hum s THR 271 Ca 0.15 -0.24 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 3hum s THR 271 Cb -0.02 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 3hum s THR 271 CO 0.04 0.29 -0.09 0.27 -2.21 0.00 0.00 174.62 172.93 3hum s ILE 272 N 1.08 0.88 -0.01 5.08 -4.36 -0.33 0.07 121.20 123.61 3hum s ILE 272 Ca -0.08 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 3hum s ILE 272 Cb -0.14 -1.51 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 3hum s ILE 272 CO -0.01 -0.68 -0.07 0.28 0.24 0.00 0.00 174.94 174.70 3hum s THR 273 N -2.91 0.62 -0.03 8.37 -1.32 -1.08 -0.28 115.64 119.02 3hum s THR 273 Ca 0.09 -0.30 0.01 0.00 -1.21 0.00 0.00 61.69 60.27 3hum s THR 273 Cb 0.00 -0.55 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 3hum s THR 273 CO -0.01 0.19 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.67 3hum s THR 274 N 0.05 0.37 -0.05 5.08 2.01 0.18 -2.00 115.64 121.28 3hum s THR 274 Ca -0.00 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.93 3hum s THR 274 Cb -0.06 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.08 3hum s THR 274 CO -0.00 0.16 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.30 3hum s LYS 275 N 0.65 0.92 -0.06 4.92 2.20 -0.58 0.36 119.74 128.15 3hum s LYS 275 Ca -0.07 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 3hum s LYS 275 Cb -0.11 -0.95 0.02 0.00 -1.51 0.00 0.00 37.83 35.28 3hum s LYS 275 CO -0.01 -0.11 -0.07 1.03 -0.36 0.00 0.00 175.35 175.83 3hum s ARG 276 N 1.08 1.15 4.74 4.03 0.52 -0.73 -4.42 118.95 125.33 3hum s ARG 276 Ca -0.08 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 3hum s ARG 276 Cb -0.14 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.24 3hum s ARG 276 CO -0.01 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.64 3hum n GLY 277 N 4.13 3.20 0.44 -3.53 0.00 -1.26 -0.89 105.19 107.27 3hum n GLY 277 Ca -0.22 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 1.47 -3.05 1.61 5.02 -1.26 -4.85 118.16 131.10 3hum n LYS 278 Ca 0.00 -0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 54.98 3hum n LYS 278 Cb 0.00 -1.48 -0.06 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 -2.14 2.96 -0.10 2.13 2.19 -0.07 -5.04 117.98 117.91 3hum s PHE 279 Ca 0.34 -0.37 -0.03 0.00 0.33 0.00 0.00 56.93 57.19 3hum s PHE 279 Cb 0.20 -3.73 -0.03 0.00 -1.31 0.00 0.00 43.02 38.15 3hum s PHE 279 CO 0.38 -1.15 0.04 0.50 1.83 0.00 0.00 175.22 176.82 3hum s ARG 280 N 3.08 3.14 -0.02 10.12 3.52 -1.26 -1.77 118.95 135.76 3hum s ARG 280 Ca 0.20 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3hum s ARG 280 Cb -0.17 -2.90 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 3hum s ARG 280 CO 0.14 0.69 -0.05 0.42 -0.81 0.00 0.00 175.30 175.69 3hum s ILE 281 N -0.84 0.48 0.15 4.11 1.01 0.16 -0.74 121.20 125.53 3hum s ILE 281 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3hum s ILE 281 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3hum s ILE 281 CO 0.03 0.16 0.13 0.20 0.00 0.00 0.00 174.94 175.46 3hum s ASN 282 N 0.25 5.52 -0.06 3.58 0.01 0.52 0.49 114.94 125.25 3hum s ASN 282 Ca -0.03 -0.12 -0.05 0.00 -0.71 0.00 0.00 52.86 51.95 3hum s ASN 282 Cb -0.07 -1.44 0.02 0.00 0.41 0.00 0.00 41.25 40.16 3hum s ASN 282 CO -0.00 0.08 0.15 -1.58 -1.51 0.00 0.00 177.10 174.24 3hum s GLN 283 N -3.01 0.17 0.03 -0.60 0.74 0.61 -0.81 119.66 116.80 3hum s GLN 283 Ca 0.31 0.22 0.07 0.00 0.05 0.00 0.00 55.36 56.00 3hum s GLN 283 Cb -0.10 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.06 3hum s GLN 283 CO 0.23 -0.03 -0.21 0.08 -0.55 0.00 0.00 175.29 174.81 3hum s VAL 284 N 0.11 1.70 -0.05 1.34 1.01 -0.24 -1.18 120.40 123.08 3hum s VAL 284 Ca -0.00 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.82 3hum s VAL 284 Cb -0.01 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3hum s VAL 284 CO -0.00 0.26 -0.06 -0.63 0.00 0.00 0.00 175.10 174.66 3hum s ILE 285 N -0.75 0.71 -0.07 2.22 1.01 -0.28 -0.67 121.20 123.37 3hum s ILE 285 Ca 0.08 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3hum s ILE 285 Cb -0.09 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 3hum s ILE 285 CO 0.01 0.27 -0.16 -0.04 0.00 0.00 0.00 174.94 175.02 3hum s MET 286 N 0.94 2.77 -0.42 2.79 -1.94 -0.84 -1.35 119.30 121.25 3hum s MET 286 Ca -0.10 -0.74 -0.00 0.00 -1.71 0.00 0.00 55.69 53.13 3hum s MET 286 Cb -0.15 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.29 3hum s MET 286 CO 0.00 0.45 0.02 0.41 -0.01 0.00 0.00 175.02 175.89 3hum n GLY 287 N 2.81 0.19 3.77 -0.03 0.00 -1.10 -1.05 105.19 109.78 3hum n GLY 287 Ca -0.17 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.29 2.97 0.00 4.61 0.00 -0.56 -2.81 121.76 123.67 3hum s ALA 288 Ca 0.01 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3hum s ALA 288 Cb -0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3hum s ALA 288 CO 0.01 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3hum n GLY 289 N 0.52 0.54 2.76 0.00 0.00 -1.14 -1.57 105.19 106.29 3hum n GLY 289 Ca 0.08 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 1.05 0.01 1.61 3.68 0.65 -4.76 116.67 114.91 3hum s ASP 290 Ca 0.00 0.14 -0.17 0.00 2.13 0.00 0.00 52.55 54.65 3hum s ASP 290 Cb 0.00 0.10 -0.35 0.00 -1.45 0.00 0.00 42.92 41.22 3hum s ASP 290 CO 0.00 -0.26 0.96 0.22 0.13 0.00 0.00 175.17 176.22 3hum h TYR 291 N 8.39 0.89 -0.30 -5.34 3.20 -1.85 1.04 116.97 122.99 3hum h TYR 291 Ca -0.13 -0.65 -0.08 0.00 3.14 0.00 0.00 58.73 61.01 3hum h TYR 291 Cb 1.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3hum h TYR 291 CO 0.40 1.52 -0.11 0.87 -1.64 0.00 0.00 178.16 179.20 3hum h LYS 292 N 0.03 0.60 0.00 1.82 1.57 -1.89 -3.40 116.57 115.31 3hum h LYS 292 Ca -0.24 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3hum h LYS 292 Cb 2.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.34 3hum h LYS 292 CO 0.25 0.82 -1.51 0.09 -0.57 0.00 0.00 179.45 178.52 3hum n ASN 293 N -4.44 1.90 0.00 0.86 3.02 -1.21 -4.86 115.26 110.52 3hum n ASN 293 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3hum n ASN 293 Cb 0.35 1.54 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 -1.90 0.75 0.00 3.41 7.94 0.09 -5.04 117.00 122.25 3hum n LEU 294 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3hum n LEU 294 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 3hum n LEU 294 CO 0.27 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 3hum n GLY 295 N 1.96 -0.78 0.00 -3.96 0.00 0.34 -4.90 105.19 97.84 3hum n GLY 295 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.18 0.46 -0.02 0.00 -1.26 -0.25 105.19 104.30 3hum n GLY 296 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.83 0.00 1.61 4.81 -1.96 -0.23 114.58 117.99 3hum h GLU 297 Ca 0.00 0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3hum h GLU 297 Cb 0.00 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hum h GLU 297 CO 0.00 -0.55 -0.59 0.87 -0.73 0.00 0.00 179.01 178.01 3hum h LYS 298 N -0.86 0.00 -0.24 1.92 1.57 -2.00 -2.67 116.57 114.29 3hum h LYS 298 Ca -0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3hum h LYS 298 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3hum h LYS 298 CO -0.14 0.59 -0.06 1.96 -0.57 0.00 0.00 179.45 181.23 3hum h GLN 299 N 0.00 0.37 -0.51 3.15 7.50 -1.95 -0.84 115.11 122.84 3hum h GLN 299 Ca -0.01 -0.08 0.09 0.00 0.50 0.00 0.00 58.65 59.15 3hum h GLN 299 Cb 1.17 -0.05 -0.07 0.00 0.05 0.00 0.00 27.48 28.58 3hum h GLN 299 CO 0.08 0.45 0.10 -0.09 -1.50 0.00 0.00 178.83 177.87 3hum h ARG 300 N 0.36 0.23 -0.10 1.46 2.43 -0.67 0.05 114.38 118.14 3hum h ARG 300 Ca 0.08 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3hum h ARG 300 Cb 0.34 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hum h ARG 300 CO 0.02 0.15 -0.65 -0.91 -1.51 0.00 0.00 179.97 177.06 3hum h ASN 301 N 0.23 0.44 0.25 -3.80 4.21 -1.39 0.12 115.58 115.65 3hum h ASN 301 Ca 0.26 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3hum h ASN 301 Cb 0.35 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3hum h ASN 301 CO -0.34 0.97 -0.14 0.24 -1.29 0.00 0.00 177.43 176.88 3hum h MET 302 N 0.28 -0.36 -0.57 0.81 2.86 -0.76 0.42 114.93 117.61 3hum h MET 302 Ca -0.01 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3hum h MET 302 Cb 1.20 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.90 3hum h MET 302 CO 0.11 -0.24 0.33 0.52 1.06 0.00 0.00 176.91 178.69 3hum h MET 303 N -0.37 0.63 -0.15 1.72 2.86 -0.73 -1.70 114.93 117.19 3hum h MET 303 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3hum h MET 303 Cb 0.30 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3hum h MET 303 CO 0.04 0.41 0.04 0.78 1.06 0.00 0.00 176.91 179.24 3hum h GLY 304 N 0.64 0.27 0.75 8.32 0.00 -0.54 -0.25 103.07 112.26 3hum h GLY 304 Ca 0.24 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3hum h GLY 304 CO -0.12 0.16 0.10 3.43 0.00 0.00 0.00 176.54 180.11 3hum h ASN 305 N 0.05 0.11 0.12 0.19 2.35 -0.10 -0.52 115.58 117.79 3hum h ASN 305 Ca 0.05 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3hum h ASN 305 Cb 0.27 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3hum h ASN 305 CO 0.00 0.10 -0.21 0.00 -1.65 0.00 0.00 177.43 175.67 3hum h ALA 306 N 1.19 -0.36 -0.88 -0.83 0.00 -1.11 0.68 119.26 117.94 3hum h ALA 306 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3hum h ALA 306 Cb 0.10 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3hum h ALA 306 CO -0.13 -0.74 0.57 -0.07 0.00 0.00 0.00 179.25 178.87 3hum h LEU 307 N -0.40 0.74 -0.10 0.00 3.38 -0.79 0.42 115.31 118.56 3hum h LEU 307 Ca 0.02 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 3hum h LEU 307 Cb 0.42 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hum h LEU 307 CO -0.11 0.41 -0.99 -0.03 0.09 0.00 0.00 178.44 177.81 3hum h MET 308 N 0.80 0.51 -0.50 1.13 4.05 -0.13 0.72 114.93 121.51 3hum h MET 308 Ca 0.42 -0.55 -0.07 0.00 -0.28 0.00 0.00 59.70 59.21 3hum h MET 308 Cb 0.53 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 3hum h MET 308 CO -0.19 1.19 0.02 0.93 0.23 0.00 0.00 176.91 179.09 3hum h GLU 309 N 0.28 0.87 -0.21 0.39 4.39 0.19 -1.15 114.58 119.33 3hum h GLU 309 Ca -0.10 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.37 3hum h GLU 309 Cb 1.64 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 3hum h GLU 309 CO 0.18 0.89 0.02 -0.09 -1.16 0.00 0.00 179.01 178.85 3hum h ARG 310 N 0.73 0.09 -1.00 2.33 2.43 -0.03 0.17 114.38 119.11 3hum h ARG 310 Ca 0.14 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 3hum h ARG 310 Cb 0.49 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3hum h ARG 310 CO 0.02 0.06 0.65 0.77 -1.51 0.00 0.00 179.97 179.96 3hum h SER 311 N 0.10 1.05 1.23 -3.80 0.02 -0.43 0.25 113.55 111.95 3hum h SER 311 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3hum h SER 311 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3hum h SER 311 CO -0.15 0.68 -0.22 -0.26 -1.14 0.00 0.00 176.83 175.75 3hum h PHE 312 N 1.19 0.00 -0.02 3.45 0.04 -0.54 -0.05 116.94 121.02 3hum h PHE 312 Ca 0.42 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.19 3hum h PHE 312 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 3hum h PHE 312 CO -0.00 0.22 -0.01 0.22 -0.60 0.00 0.00 178.31 178.13 3hum h ASP 313 N 0.00 0.05 0.45 2.17 -0.00 0.19 -3.36 116.42 115.92 3hum h ASP 313 Ca -0.00 -0.44 -0.21 0.00 -0.00 0.00 0.00 57.03 56.38 3hum h ASP 313 Cb 0.89 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 40.20 3hum h ASP 313 CO 0.03 0.48 -0.89 1.56 -0.00 0.00 0.00 179.24 180.42 3hum h GLN 314 N -0.38 0.30 -6.36 0.28 4.20 -0.82 -3.43 115.11 108.90 3hum h GLN 314 Ca 0.00 -0.32 -0.61 0.00 0.06 0.00 0.00 58.65 57.79 3hum h GLN 314 Cb 0.46 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.21 3hum h GLN 314 CO 0.00 1.01 -0.68 0.71 -0.67 0.00 0.00 178.83 179.21 3hum s TYR 315 N -3.27 2.75 0.07 2.96 2.02 -0.05 0.10 117.35 121.93 3hum s TYR 315 Ca -0.04 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3hum s TYR 315 Cb 0.10 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3hum s TYR 315 CO 0.84 0.53 -0.10 -1.59 -1.57 0.00 0.00 175.55 173.66 3hum s LYS 316 N -2.97 0.73 -0.24 -0.62 -2.85 -0.17 -4.61 119.74 109.01 3hum s LYS 316 Ca 0.27 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 3hum s LYS 316 Cb -0.09 -0.51 0.03 0.00 -2.06 0.00 0.00 37.83 35.20 3hum s LYS 316 CO 0.17 0.09 -0.08 -0.47 0.10 0.00 0.00 175.35 175.16 3hum s TYR 317 N -1.82 3.05 0.10 1.78 5.04 -1.26 -1.34 117.35 122.89 3hum s TYR 317 Ca -0.02 -1.62 -0.00 0.00 -2.44 0.00 0.00 57.07 52.99 3hum s TYR 317 Cb -0.07 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 3hum s TYR 317 CO 0.01 -0.75 -0.01 0.14 -1.34 0.00 0.00 175.55 173.60 3hum s VAL 318 N 1.30 0.35 -0.16 3.14 -7.23 -0.46 -4.90 120.40 112.44 3hum s VAL 318 Ca 0.00 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 3hum s VAL 318 Cb -0.16 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 3hum s VAL 318 CO -0.05 -0.77 1.03 -0.75 -0.31 0.00 0.00 175.10 174.24 3hum s LYS 319 N -3.93 4.35 0.00 4.82 2.20 -1.26 -1.36 119.74 124.55 3hum s LYS 319 Ca 0.15 1.38 0.17 0.00 -0.36 0.00 0.00 55.97 57.31 3hum s LYS 319 Cb 0.07 -3.59 -0.15 0.00 -1.51 0.00 0.00 37.83 32.65 3hum s LYS 319 CO -0.04 -0.46 0.76 0.44 -0.36 0.00 0.00 175.35 175.69 3hum n ILE 320 N 4.91 0.00 -3.65 5.43 -5.35 0.56 -4.94 119.36 116.31 3hum n ILE 320 Ca 0.10 -0.14 -0.03 0.00 -0.27 0.00 0.00 62.75 62.41 3hum n ILE 320 Cb 0.47 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 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 -2.68 -1.02 0.26 7.28 2.96 -1.11 -4.98 118.68 119.39 3hum s LEU 321 Ca 0.08 1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 55.27 3hum s LEU 321 Cb 0.13 2.10 -0.08 0.00 0.50 0.00 0.00 46.19 48.84 3hum s LEU 321 CO 0.65 -0.22 0.71 -0.44 -1.32 0.00 0.00 176.35 175.73 3hum s SER 322 N 2.77 6.89 0.79 3.68 0.01 -1.26 0.11 113.70 126.67 3hum s SER 322 Ca -0.05 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 3hum s SER 322 Cb -0.12 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.80 3hum s SER 322 CO -0.18 -0.08 1.10 -1.59 0.41 0.00 0.00 173.24 172.90 3hum s LYS 323 N -2.49 2.18 0.00 12.44 -2.85 -1.26 -4.76 119.74 123.00 3hum s LYS 323 Ca 0.48 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 3hum s LYS 323 Cb -0.13 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 3hum s LYS 323 CO 0.19 -1.55 0.00 0.41 0.10 0.00 0.00 175.35 174.50 3hum n GLY 324 N -2.20 0.47 3.74 0.59 0.00 -0.52 -4.94 105.19 102.33 3hum n GLY 324 Ca 0.07 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.57 4.60 0.03 1.61 -1.05 -1.25 0.19 118.70 122.26 3hum s GLU 325 Ca 0.00 1.25 -0.09 0.00 -0.15 0.00 0.00 54.97 55.98 3hum s GLU 325 Cb 0.00 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 3hum s GLU 325 CO 0.00 0.29 0.18 -0.65 0.95 0.00 0.00 175.26 176.03 3hum s GLN 326 N -0.16 0.64 -0.49 -4.83 -1.52 0.65 -4.93 119.66 109.02 3hum s GLN 326 Ca 0.42 -0.57 -0.19 0.00 -1.95 0.00 0.00 55.36 53.07 3hum s GLN 326 Cb -0.22 0.27 0.05 0.00 -0.22 0.00 0.00 33.01 32.89 3hum s GLN 326 CO 0.26 -0.18 0.60 -0.98 -0.25 0.00 0.00 175.29 174.75 3hum s ARG 327 N -2.26 3.13 -0.42 2.91 1.70 -1.26 0.20 118.95 122.95 3hum s ARG 327 Ca -0.07 -0.83 -0.12 0.00 -0.47 0.00 0.00 55.73 54.23 3hum s ARG 327 Cb -0.03 -4.07 0.05 0.00 -0.57 0.00 0.00 34.95 30.34 3hum s ARG 327 CO -0.02 -1.16 0.28 0.42 -1.08 0.00 0.00 175.30 173.74 3hum s ILE 328 N 2.58 4.74 -0.12 4.99 1.01 0.11 -4.59 121.20 129.92 3hum s ILE 328 Ca 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3hum s ILE 328 Cb -0.19 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3hum s ILE 328 CO 0.13 -0.41 0.00 0.59 0.00 0.00 0.00 174.94 175.25 3hum n ASN 329 N 5.05 -2.64 0.00 3.58 3.02 -1.26 -2.72 115.26 120.29 3hum n ASN 329 Ca -0.11 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3hum n ASN 329 Cb 0.45 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.34 2.93 3.89 7.41 0.00 -1.26 -5.01 105.19 110.80 3hum n GLY 330 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.14 3.66 -0.14 1.61 1.02 -1.10 -5.00 119.74 119.65 3hum s LYS 331 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 55.97 55.90 3hum s LYS 331 Cb 0.00 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 3hum s LYS 331 CO 0.00 0.40 0.18 0.21 -0.92 0.00 0.00 175.35 175.22 3hum s LYS 332 N -2.81 3.84 0.05 1.68 2.20 -1.26 0.05 119.74 123.50 3hum s LYS 332 Ca 0.43 -0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 3hum s LYS 332 Cb -0.12 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 3hum s LYS 332 CO 0.24 0.54 -0.12 0.71 -0.36 0.00 0.00 175.35 176.37 3hum s TYR 333 N -0.37 0.99 -0.68 4.03 1.51 0.53 -4.92 117.35 118.44 3hum s TYR 333 Ca 0.14 -0.44 -0.27 0.00 -1.01 0.00 0.00 57.07 55.49 3hum s TYR 333 Cb -0.12 -0.58 0.03 0.00 -0.11 0.00 0.00 41.96 41.18 3hum s TYR 333 CO 0.03 0.00 1.29 0.71 -1.11 0.00 0.00 175.55 176.47 3hum s TYR 334 N -1.18 2.34 -0.36 2.71 2.02 -1.07 -0.26 117.35 121.55 3hum s TYR 334 Ca -0.04 0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 56.60 3hum s TYR 334 Cb -0.09 -4.56 0.00 0.00 -0.40 0.00 0.00 41.96 36.90 3hum s TYR 334 CO 0.01 -1.96 0.60 0.08 -1.57 0.00 0.00 175.55 172.71 3hum s VAL 335 N 5.70 4.93 0.10 0.71 1.01 0.50 -3.17 120.40 130.19 3hum s VAL 335 Ca 0.39 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 3hum s VAL 335 Cb -0.08 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 3hum s VAL 335 CO 0.18 -0.29 1.72 -0.33 0.00 0.00 0.00 175.10 176.39 3hum h GLU 336 N 8.47 -0.03 -3.75 2.72 4.39 -1.11 -1.38 114.58 123.87 3hum h GLU 336 Ca -0.27 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.27 3hum h GLU 336 Cb 1.11 0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.56 3hum h GLU 336 CO 0.82 -0.02 -0.61 -0.80 -1.16 0.00 0.00 179.01 177.24 3hum s ASN 337 N -5.17 0.12 0.19 1.42 0.01 -1.26 -4.79 114.94 105.47 3hum s ASN 337 Ca -0.13 -0.32 -0.32 0.00 -0.71 0.00 0.00 52.86 51.38 3hum s ASN 337 Cb 0.07 0.15 -0.15 0.00 0.41 0.00 0.00 41.25 41.73 3hum s ASN 337 CO 0.67 -0.30 1.19 0.47 -1.51 0.00 0.00 177.10 177.61 3hum n ASP 338 N 1.68 1.56 -4.47 -1.22 9.92 -1.26 -4.27 116.55 118.49 3hum n ASP 338 Ca -0.22 1.14 -0.35 0.00 -0.53 0.00 0.00 54.79 54.84 3hum n ASP 338 Cb 0.56 -1.25 -0.12 0.00 -0.64 0.00 0.00 41.12 39.66 3hum n ASP 338 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hum s LEU 339 N 0.56 3.29 0.12 0.64 2.96 0.29 -4.91 118.68 121.63 3hum s LEU 339 Ca 0.71 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 3hum s LEU 339 Cb -0.81 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3hum s LEU 339 CO 0.52 0.10 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.26 3hum s TYR 340 N 0.78 2.74 0.10 5.38 1.51 -1.26 -0.33 117.35 126.28 3hum s TYR 340 Ca 0.00 -0.16 -0.19 0.00 -1.01 0.00 0.00 57.07 55.71 3hum s TYR 340 Cb -0.14 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 3hum s TYR 340 CO 0.02 0.45 0.46 0.34 -1.11 0.00 0.00 175.55 175.71 3hum s ASP 341 N -2.36 -0.34 0.01 2.29 -1.08 -0.47 -4.74 116.67 109.98 3hum s ASP 341 Ca 0.23 -0.11 -0.30 0.00 -0.52 0.00 0.00 52.55 51.85 3hum s ASP 341 Cb -0.11 0.49 -0.03 0.00 -1.46 0.00 0.00 42.92 41.81 3hum s ASP 341 CO 0.15 -0.81 1.00 -0.69 0.52 0.00 0.00 175.17 175.34 3hum s VAL 342 N -3.28 4.75 0.01 1.11 1.01 -1.26 -1.36 120.40 121.38 3hum s VAL 342 Ca -0.01 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3hum s VAL 342 Cb 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3hum s VAL 342 CO -0.08 0.17 -0.02 -0.76 0.00 0.00 0.00 175.10 174.40 3hum s LEU 343 N 0.95 2.14 0.22 3.92 1.43 -0.45 -5.00 118.68 121.88 3hum s LEU 343 Ca 0.52 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.02 3hum s LEU 343 Cb -0.22 0.03 -0.14 0.00 0.03 0.00 0.00 46.19 45.89 3hum s LEU 343 CO 0.28 -0.16 1.27 -2.65 0.23 0.00 0.00 176.35 175.32 3hum n PRO 344 N 2.23 1.64 0.00 1.29 -0.02 -1.26 -1.00 135.00 137.87 3hum n PRO 344 Ca -0.19 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 3hum n PRO 344 Cb 0.57 -2.14 0.45 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.94 0.00 -1.43 2.55 3.41 0.28 -0.90 113.62 119.47 3hum n SER 345 Ca 0.12 0.22 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 3hum n SER 345 Cb 0.29 -0.38 0.34 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.38 4.16 -4.76 4.04 5.68 -1.26 -4.92 116.55 118.12 3hum n ASP 346 Ca 0.07 -2.10 -0.36 0.00 -0.50 0.00 0.00 54.79 51.91 3hum n ASP 346 Cb 0.18 -0.52 0.03 0.00 -1.14 0.00 0.00 41.12 39.68 3hum n ASP 346 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3hum s PHE 347 N -1.19 2.42 0.47 2.11 0.40 -0.08 -5.07 117.98 117.05 3hum s PHE 347 Ca 0.50 1.52 0.03 0.00 -0.60 0.00 0.00 56.93 58.38 3hum s PHE 347 Cb 0.27 -3.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.35 3hum s PHE 347 CO 0.32 -2.12 0.10 -1.54 0.70 0.00 0.00 175.22 172.68 3hum s SER 348 N -1.68 3.38 0.60 1.36 1.04 -1.26 -5.02 113.70 112.12 3hum s SER 348 Ca 0.76 -1.74 0.29 0.00 0.48 0.00 0.00 55.95 55.75 3hum s SER 348 Cb -0.29 0.65 1.61 0.00 0.10 0.00 0.00 66.02 68.10 3hum s SER 348 CO 0.33 -0.98 2.02 0.11 0.98 0.00 0.00 173.24 175.70 3hum h LYS 349 N 1.55 0.00 0.00 4.02 1.57 -1.97 0.19 116.57 121.93 3hum h LYS 349 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3hum h LYS 349 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3hum h LYS 349 CO 0.60 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.11 3hum n LYS 350 N -3.68 0.10 0.00 3.15 5.02 -1.26 -3.44 118.16 118.05 3hum n LYS 350 Ca 0.03 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.61 3hum n LYS 350 Cb 0.44 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3hum n LYS 350 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hum n ASP 351 N -1.41 2.00 -3.58 4.39 8.00 0.68 -4.95 116.55 121.68 3hum n ASP 351 Ca 0.06 -1.50 -0.10 0.00 0.71 0.00 0.00 54.79 53.95 3hum n ASP 351 Cb 0.17 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.18 0.47 0.05 1.24 -0.85 -1.22 -4.86 117.35 109.99 3hum s TYR 352 Ca 0.18 -0.86 0.05 0.00 -0.52 0.00 0.00 57.07 55.91 3hum s TYR 352 Cb 0.16 0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 3hum s TYR 352 CO 0.47 -1.16 -0.13 0.15 -1.52 0.00 0.00 175.55 173.36 3hum s LYS 353 N -3.43 0.85 -0.07 -3.49 1.02 -0.77 -4.92 119.74 108.93 3hum s LYS 353 Ca 0.23 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 55.16 3hum s LYS 353 Cb -0.02 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 3hum s LYS 353 CO 0.12 0.20 0.78 -0.51 -0.92 0.00 0.00 175.35 175.02 3hum s LEU 354 N -1.33 4.31 -0.10 3.17 1.43 -1.26 -1.52 118.68 123.39 3hum s LEU 354 Ca -0.00 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3hum s LEU 354 Cb -0.08 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.94 3hum s LEU 354 CO 0.01 -0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 175.54 3hum s VAL 355 N 1.02 1.64 -0.06 -1.59 1.01 0.20 -4.93 120.40 117.68 3hum s VAL 355 Ca 0.41 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3hum s VAL 355 Cb -0.18 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3hum s VAL 355 CO 0.19 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 175.06 3hum s VAL 356 N 0.64 4.15 -0.25 2.92 1.01 -1.25 -1.22 120.40 126.41 3hum s VAL 356 Ca -0.13 -0.37 -0.36 0.00 0.00 0.00 0.00 61.98 61.12 3hum s VAL 356 Cb -0.16 -2.76 0.16 0.00 0.00 0.00 0.00 36.38 33.61 3hum s VAL 356 CO 0.04 0.55 1.31 -1.83 0.00 0.00 0.00 175.10 175.17 3hum s GLU 357 N -1.02 0.14 -0.78 2.72 -1.05 -0.24 -4.91 118.70 113.57 3hum s GLU 357 Ca 0.14 -0.04 -0.00 0.00 -0.15 0.00 0.00 54.97 54.92 3hum s GLU 357 Cb -0.11 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 3hum s GLU 357 CO 0.04 -0.06 0.01 -0.25 0.95 0.00 0.00 175.26 175.95 3hum n ASP 358 N 0.07 -3.12 -3.31 0.83 8.00 -1.26 0.13 116.55 117.88 3hum n ASP 358 Ca 0.03 0.26 -0.24 0.00 0.71 0.00 0.00 54.79 55.55 3hum n ASP 358 Cb 0.57 -2.69 0.03 0.00 -0.02 0.00 0.00 41.12 39.02 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 -0.73 -0.52 3.12 0.44 0.00 -1.26 -5.00 105.19 101.24 3hum n GLY 359 Ca -0.10 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.99 0.73 -0.10 1.61 1.02 0.34 -2.55 119.74 114.81 3hum s LYS 360 Ca 0.42 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.65 3hum s LYS 360 Cb -0.20 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.43 3hum s LYS 360 CO 0.52 0.15 -0.18 0.54 -0.92 0.00 0.00 175.35 175.47 3hum s VAL 361 N -1.10 2.68 0.12 3.17 0.11 -0.70 -1.08 120.40 123.60 3hum s VAL 361 Ca -0.03 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.16 3hum s VAL 361 Cb -0.09 -2.07 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 3hum s VAL 361 CO 0.01 0.55 0.13 -1.38 -3.33 0.00 0.00 175.10 171.08 3hum s HIS 362 N 0.08 0.54 0.49 1.54 -3.43 -0.35 -2.47 115.29 111.69 3hum s HIS 362 Ca -0.08 -0.96 -0.08 0.00 -0.80 0.00 0.00 55.06 53.14 3hum s HIS 362 Cb -0.15 -0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 30.68 3hum s HIS 362 CO 0.05 -0.56 0.84 0.00 -2.00 0.00 0.00 174.74 173.07 3hum s ALA 363 N -3.97 3.31 -0.09 -1.38 0.00 -1.26 -0.63 121.76 117.75 3hum s ALA 363 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 3hum s ALA 363 Cb 0.06 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.48 3hum s ALA 363 CO -0.03 -0.30 0.17 0.34 0.00 0.00 0.00 175.76 175.94 3hum s ASP 364 N -3.77 0.36 0.22 0.00 2.15 -0.57 -4.88 116.67 110.18 3hum s ASP 364 Ca 0.51 0.37 -0.23 0.00 0.43 0.00 0.00 52.55 53.63 3hum s ASP 364 Cb -0.10 0.31 0.04 0.00 -0.30 0.00 0.00 42.92 42.86 3hum s ASP 364 CO 0.42 -0.21 0.84 -0.72 -0.17 0.00 0.00 175.17 175.32 3hum s TYR 365 N 1.89 -0.15 0.05 -5.34 -0.85 -1.26 -1.85 117.35 109.83 3hum s TYR 365 Ca -0.02 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 55.99 3hum s TYR 365 Cb -0.12 0.68 -0.05 0.00 0.38 0.00 0.00 41.96 42.85 3hum s TYR 365 CO -0.06 -1.05 1.06 -2.14 -1.52 0.00 0.00 175.55 171.84 3hum s PRO 366 N -3.59 4.54 -0.03 -3.49 0.02 -1.26 -4.98 135.00 126.22 3hum s PRO 366 Ca 0.12 1.58 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 3hum s PRO 366 Cb -0.04 -3.39 0.12 0.00 0.02 0.00 0.00 34.50 31.21 3hum s PRO 366 CO 0.05 -0.07 1.26 -0.98 -0.33 0.00 0.00 177.00 176.92 3hum s ARG 367 N 0.74 0.44 -0.03 5.54 1.70 -1.26 -5.13 118.95 120.95 3hum s ARG 367 Ca 0.53 -0.23 0.04 0.00 -0.47 0.00 0.00 55.73 55.60 3hum s ARG 367 Cb -0.25 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.28 3hum s ARG 367 CO 0.29 -0.20 -0.14 -2.00 -1.08 0.00 0.00 175.30 172.17 3hum s GLU 368 N -2.48 1.36 0.31 3.89 2.12 -1.26 -5.09 118.70 117.54 3hum s GLU 368 Ca 0.13 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 55.04 3hum s GLU 368 Cb 0.04 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 33.16 3hum s GLU 368 CO -0.04 0.24 0.30 -0.06 -0.54 0.00 0.00 175.26 175.16 3hum s PHE 369 N -0.06 3.01 0.11 5.30 0.40 -1.26 -1.08 117.98 124.40 3hum s PHE 369 Ca -0.00 -0.23 0.20 0.00 -0.60 0.00 0.00 56.93 56.30 3hum s PHE 369 Cb -0.09 -1.72 0.68 0.00 0.51 0.00 0.00 43.02 42.40 3hum s PHE 369 CO 0.01 0.25 1.73 0.97 0.70 0.00 0.00 175.22 178.87 3hum h ILE 370 N 1.25 0.77 -2.17 0.64 2.10 -0.93 -3.44 117.51 115.72 3hum h ILE 370 Ca -0.46 -1.47 0.33 0.00 1.08 0.00 0.00 64.86 64.34 3hum h ILE 370 Cb 1.25 1.94 -0.06 0.00 -1.09 0.00 0.00 36.82 38.85 3hum h ILE 370 CO 0.58 0.33 0.88 0.54 -1.08 0.00 0.00 178.15 179.40 3hum s ASN 371 N -6.36 0.01 0.00 2.19 2.20 -1.26 -5.03 114.94 106.69 3hum s ASN 371 Ca 0.01 -0.24 0.30 0.00 -0.94 0.00 0.00 52.86 51.99 3hum s ASN 371 Cb 0.10 0.17 1.46 0.00 -2.00 0.00 0.00 41.25 40.99 3hum s ASN 371 CO 0.68 -0.35 2.01 2.29 -2.94 0.00 0.00 177.10 178.79 3hum n LYS 372 N -0.89 0.56 0.17 3.55 2.85 -1.26 -1.85 118.16 121.29 3hum n LYS 372 Ca 0.03 -0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.35 3hum n LYS 372 Cb 0.59 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 34.04 3hum n LYS 372 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3hum h ASP 373 N 0.18 0.00 -4.24 -5.58 3.32 -1.96 -3.45 116.42 104.70 3hum h ASP 373 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3hum h ASP 373 Cb 0.28 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.59 3hum h ASP 373 CO 0.00 0.00 -0.84 -0.31 -1.72 0.00 0.00 179.24 176.37 3hum s TYR 374 N -3.46 1.81 0.16 4.55 2.02 -0.77 -5.13 117.35 116.54 3hum s TYR 374 Ca 0.02 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 3hum s TYR 374 Cb 0.09 -1.04 0.08 0.00 -0.40 0.00 0.00 41.96 40.68 3hum s TYR 374 CO 0.38 0.14 1.07 0.41 -1.57 0.00 0.00 175.55 175.99 3hum n GLY 375 N 1.53 0.55 3.57 0.71 0.00 -1.26 -4.73 105.19 105.56 3hum n GLY 375 Ca -0.18 -1.14 -0.48 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.75 1.15 -1.63 1.61 -0.02 -1.26 -4.83 135.00 129.26 3hum n PRO 376 Ca -0.01 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 3hum n PRO 376 Cb 0.59 -1.87 0.04 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.58 1.21 -4.38 0.52 -0.02 -1.26 -4.95 135.00 127.70 3hum n PRO 377 Ca 0.14 0.45 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 3hum n PRO 377 Cb 0.25 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 3hum n PRO 377 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hum s THR 378 N -1.40 1.97 0.17 3.45 -4.23 -1.26 -4.37 115.64 109.97 3hum s THR 378 Ca 0.70 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3hum s THR 378 Cb -0.46 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 3hum s THR 378 CO 0.51 -0.52 0.01 0.68 -0.54 0.00 0.00 174.62 174.76 3hum s VAL 379 N -2.79 0.63 0.15 2.29 -7.23 -1.03 -4.98 120.40 107.44 3hum s VAL 379 Ca 0.24 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 3hum s VAL 379 Cb -0.02 -2.14 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 3hum s VAL 379 CO 0.09 -0.45 0.97 -1.61 -0.31 0.00 0.00 175.10 173.80 3hum s GLU 380 N -3.93 4.73 0.01 4.82 0.41 -1.26 -1.72 118.70 121.76 3hum s GLU 380 Ca 0.25 1.49 -0.09 0.00 -0.41 0.00 0.00 54.97 56.21 3hum s GLU 380 Cb 0.06 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3hum s GLU 380 CO 0.04 0.28 0.17 0.14 -0.49 0.00 0.00 175.26 175.41 3hum s VAL 381 N -0.36 0.09 0.00 2.63 -7.23 -1.06 -0.58 120.40 113.89 3hum s VAL 381 Ca 0.46 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 3hum s VAL 381 Cb -0.25 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.13 3hum s VAL 381 CO 0.31 -0.39 0.00 0.00 -0.31 0.00 0.00 175.10 174.71