#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngm n GLY 62 N 0.00 -0.34 3.53 0.46 0.00 -1.26 -5.01 105.19 102.57 1ngm n GLY 62 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1ngm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngm s ILE 63 N -0.97 2.96 -0.09 -0.61 1.01 -1.26 -5.14 121.20 117.11 1ngm s ILE 63 Ca 0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 58.96 1ngm s ILE 63 Cb 0.09 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1ngm s ILE 63 CO 0.15 -0.13 0.14 0.54 0.00 0.00 0.00 174.94 175.65 1ngm s VAL 64 N -1.73 -0.22 -0.00 2.92 0.11 -1.26 -4.94 120.40 115.27 1ngm s VAL 64 Ca 0.24 0.29 -0.39 0.00 -2.93 0.00 0.00 61.98 59.19 1ngm s VAL 64 Cb -0.08 -0.32 -0.19 0.00 -1.53 0.00 0.00 36.38 34.26 1ngm s VAL 64 CO 0.14 0.09 1.17 -2.65 -3.33 0.00 0.00 175.10 170.52 1ngm n PRO 65 N 5.32 0.30 -3.08 1.54 -0.02 -1.26 -4.96 135.00 132.83 1ngm n PRO 65 Ca -0.04 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 1ngm n PRO 65 Cb 0.50 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 1ngm n PRO 65 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ngm s THR 66 N 0.29 4.98 -0.32 3.45 -4.23 0.55 -4.81 115.64 115.55 1ngm s THR 66 Ca 0.90 1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 62.35 1ngm s THR 66 Cb -1.20 -3.96 -0.02 0.00 1.34 0.00 0.00 72.50 68.66 1ngm s THR 66 CO 0.56 0.06 1.79 -0.76 -0.54 0.00 0.00 174.62 175.73 1ngm s LEU 67 N 2.22 3.53 0.00 4.79 1.43 -1.26 -2.52 118.68 126.87 1ngm s LEU 67 Ca 0.29 1.35 0.17 0.00 -1.03 0.00 0.00 54.13 54.91 1ngm s LEU 67 Cb -0.16 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1ngm s LEU 67 CO 0.09 -1.67 0.84 0.00 0.23 0.00 0.00 176.35 175.84 1ngm n GLN 68 N 8.38 1.54 -3.64 1.70 1.13 -1.22 -4.72 117.38 120.54 1ngm n GLN 68 Ca 0.23 -0.55 -0.04 0.00 -1.94 0.00 0.00 57.00 54.69 1ngm n GLN 68 Cb 0.46 -1.31 -0.07 0.00 0.11 0.00 0.00 30.24 29.44 1ngm n GLN 68 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ngm s ASN 69 N -2.24 -0.47 -0.02 1.08 2.47 -1.24 -4.79 114.94 109.73 1ngm s ASN 69 Ca 0.12 0.80 0.01 0.00 0.42 0.00 0.00 52.86 54.21 1ngm s ASN 69 Cb 0.14 1.06 0.01 0.00 -1.45 0.00 0.00 41.25 41.01 1ngm s ASN 69 CO 0.53 -0.13 -0.05 -0.63 -3.72 0.00 0.00 177.10 173.11 1ngm s ILE 70 N 0.95 0.45 -0.05 -5.21 -1.09 -0.90 0.64 121.20 115.98 1ngm s ILE 70 Ca -0.05 -0.16 -0.10 0.00 -2.23 0.00 0.00 60.65 58.11 1ngm s ILE 70 Cb -0.04 -0.44 -0.05 0.00 -1.58 0.00 0.00 42.46 40.36 1ngm s ILE 70 CO -0.12 0.17 0.28 -0.69 -1.23 0.00 0.00 174.94 173.34 1ngm s VAL 71 N 0.40 5.27 -0.10 2.92 1.01 0.16 -2.80 120.40 127.26 1ngm s VAL 71 Ca -0.05 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1ngm s VAL 71 Cb -0.08 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1ngm s VAL 71 CO -0.00 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 1ngm s ALA 72 N -1.09 1.40 -0.02 5.51 0.00 0.29 -2.60 121.76 125.24 1ngm s ALA 72 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1ngm s ALA 72 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1ngm s ALA 72 CO 0.10 -0.19 0.06 -0.08 0.00 0.00 0.00 175.76 175.65 1ngm s THR 73 N 1.24 4.64 -0.12 0.00 -1.32 0.15 -0.25 115.64 119.98 1ngm s THR 73 Ca -0.03 -0.38 -0.16 0.00 -1.21 0.00 0.00 61.69 59.92 1ngm s THR 73 Cb -0.14 -3.09 0.04 0.00 -1.51 0.00 0.00 72.50 67.80 1ngm s THR 73 CO -0.04 0.40 0.41 -0.69 -2.21 0.00 0.00 174.62 172.50 1ngm s VAL 74 N -1.13 0.01 -0.10 5.08 1.01 -1.22 -1.04 120.40 123.01 1ngm s VAL 74 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1ngm s VAL 74 Cb -0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1ngm s VAL 74 CO 0.11 -0.06 0.03 -0.89 0.00 0.00 0.00 175.10 174.30 1ngm s THR 75 N -0.20 4.56 -1.14 3.92 2.01 -0.67 -2.79 115.64 121.34 1ngm s THR 75 Ca -0.04 -0.15 0.12 0.00 0.31 0.00 0.00 61.69 61.94 1ngm s THR 75 Cb -0.03 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1ngm s THR 75 CO 0.02 0.59 0.72 0.18 -0.69 0.00 0.00 174.62 175.44 1ngm n LEU 76 N 2.29 1.42 -3.48 4.42 4.77 0.48 -0.96 117.00 125.93 1ngm n LEU 76 Ca -0.19 -0.79 -0.19 0.00 -0.03 0.00 0.00 56.01 54.81 1ngm n LEU 76 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1ngm n LEU 76 CO 0.30 0.28 0.02 0.61 -1.33 0.00 0.00 177.39 177.27 1ngm n GLY 77 N 0.94 -0.61 3.64 -0.72 0.00 -1.25 -1.61 105.19 105.59 1ngm n GLY 77 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 1ngm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ARG 79 N 1.24 2.87 -0.14 0.00 6.06 -1.22 -3.44 118.95 124.32 1ngm s ARG 79 Ca -0.08 -0.31 -0.08 0.00 -2.50 0.00 0.00 55.73 52.76 1ngm s ARG 79 Cb -0.04 -4.93 -0.04 0.00 0.06 0.00 0.00 34.95 30.00 1ngm s ARG 79 CO -0.14 -2.87 0.13 -0.48 -2.50 0.00 0.00 175.30 169.44 1ngm s LEU 80 N 8.29 4.29 0.09 -0.88 2.34 -0.75 -4.93 118.68 127.13 1ngm s LEU 80 Ca 0.61 0.38 -0.31 0.00 0.06 0.00 0.00 54.13 54.86 1ngm s LEU 80 Cb -0.06 -2.06 -0.08 0.00 -0.56 0.00 0.00 46.19 43.43 1ngm s LEU 80 CO 0.02 0.34 1.49 -0.62 -1.06 0.00 0.00 176.35 176.52 1ngm s ASP 81 N -0.60 6.73 -0.02 1.48 2.15 -1.26 -4.28 116.67 120.88 1ngm s ASP 81 Ca 0.13 2.38 -0.26 0.00 0.43 0.00 0.00 52.55 55.23 1ngm s ASP 81 Cb -0.12 -2.58 -0.20 0.00 -0.30 0.00 0.00 42.92 39.73 1ngm s ASP 81 CO 0.02 -0.76 1.28 -0.07 -0.17 0.00 0.00 175.17 175.48 1ngm h LEU 82 N 7.50 -0.01 -0.55 -1.34 3.38 -1.96 -3.26 115.31 119.07 1ngm h LEU 82 Ca -0.42 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.19 1ngm h LEU 82 Cb 1.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 1ngm h LEU 82 CO 0.90 0.45 -0.21 1.17 0.09 0.00 0.00 178.44 180.84 1ngm n LYS 83 N -4.87 -0.13 -0.05 1.13 3.00 -1.26 0.21 118.16 116.18 1ngm n LYS 83 Ca -0.08 0.84 -0.12 0.00 -0.00 0.00 0.00 58.31 58.94 1ngm n LYS 83 Cb 0.24 -1.25 -0.07 0.00 0.00 0.00 0.00 35.03 33.95 1ngm n LYS 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1ngm h THR 84 N 0.00 1.32 -0.41 3.15 2.02 -1.98 -3.14 112.91 113.88 1ngm h THR 84 Ca 0.19 -1.13 0.08 0.00 0.77 0.00 0.00 66.41 66.33 1ngm h THR 84 Cb 0.33 1.75 -0.09 0.00 -1.74 0.00 0.00 68.15 68.39 1ngm h THR 84 CO -0.54 0.33 -0.30 0.58 0.37 0.00 0.00 175.52 175.96 1ngm h VAL 85 N -0.02 0.26 0.16 3.16 2.07 -0.28 -1.93 116.25 119.66 1ngm h VAL 85 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ngm h VAL 85 Cb 0.55 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ngm h VAL 85 CO 0.02 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.54 1ngm h ALA 86 N 0.86 -0.21 0.00 1.67 0.00 -1.59 -2.48 119.26 117.50 1ngm h ALA 86 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ngm h ALA 86 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ngm h ALA 86 CO -0.53 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.38 1ngm n LEU 87 N -5.17 0.18 -3.30 0.00 4.77 -0.75 -3.27 117.00 109.45 1ngm n LEU 87 Ca -0.09 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1ngm n LEU 87 Cb 0.11 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1ngm n LEU 87 CO 0.34 0.04 -0.25 -1.00 -1.33 0.00 0.00 177.39 175.20 1ngm s HIS 88 N -1.49 0.57 0.00 -1.77 3.76 -0.93 -5.06 115.29 110.37 1ngm s HIS 88 Ca 0.00 -1.93 0.00 0.00 -0.15 0.00 0.00 55.06 52.98 1ngm s HIS 88 Cb 0.00 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1ngm s HIS 88 CO 0.00 -0.90 0.00 0.00 -0.85 0.00 0.00 174.74 172.99 1ngm n ALA 89 N 3.03 0.00 -0.05 -1.40 0.00 -1.20 -4.90 120.51 115.99 1ngm n ALA 89 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ngm n ALA 89 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 1ngm n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ngm h ARG 90 N 0.00 0.27 -4.47 0.00 9.65 -1.97 -3.37 114.38 114.49 1ngm h ARG 90 Ca 0.00 -0.13 -0.73 0.00 -1.10 0.00 0.00 59.98 58.01 1ngm h ARG 90 Cb 0.00 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.37 1ngm h ARG 90 CO 0.00 0.66 0.33 -0.80 2.80 0.00 0.00 179.97 182.95 1ngm s ASN 91 N -5.99 6.53 -0.48 -3.80 0.01 -1.26 -4.96 114.94 104.99 1ngm s ASN 91 Ca -0.14 -2.09 0.06 0.00 -0.71 0.00 0.00 52.86 49.98 1ngm s ASN 91 Cb 0.05 -2.30 0.21 0.00 0.41 0.00 0.00 41.25 39.62 1ngm s ASN 91 CO 0.73 -0.90 0.49 0.00 -1.51 0.00 0.00 177.10 175.91 1ngm n ALA 92 N 5.53 2.98 -3.38 0.60 0.00 -1.24 -3.77 120.51 121.23 1ngm n ALA 92 Ca 0.09 -3.68 -0.45 0.00 0.00 0.00 0.00 53.44 49.40 1ngm n ALA 92 Cb 0.46 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1ngm n ALA 92 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ngm s GLU 93 N -1.01 3.28 -0.34 0.00 2.02 -1.19 -4.91 118.70 116.55 1ngm s GLU 93 Ca 0.34 -2.25 -0.09 0.00 0.02 0.00 0.00 54.97 52.99 1ngm s GLU 93 Cb 0.09 -4.29 0.02 0.00 0.10 0.00 0.00 34.13 30.06 1ngm s GLU 93 CO -0.13 -1.28 0.15 -0.47 0.02 0.00 0.00 175.26 173.54 1ngm s TYR 94 N 0.54 3.22 -0.43 1.61 5.04 -1.26 -2.20 117.35 123.88 1ngm s TYR 94 Ca 0.14 -1.07 0.02 0.00 -2.44 0.00 0.00 57.07 53.71 1ngm s TYR 94 Cb -0.17 -2.35 0.13 0.00 0.35 0.00 0.00 41.96 39.92 1ngm s TYR 94 CO -0.05 -0.64 0.22 1.21 -1.34 0.00 0.00 175.55 174.95 1ngm s ASN 95 N 1.50 3.84 0.47 4.32 2.47 -1.26 -4.99 114.94 121.29 1ngm s ASN 95 Ca 0.01 -2.57 0.30 0.00 0.42 0.00 0.00 52.86 51.02 1ngm s ASN 95 Cb -0.19 -1.14 1.06 0.00 -1.45 0.00 0.00 41.25 39.53 1ngm s ASN 95 CO 0.05 -0.28 1.86 -0.65 -3.72 0.00 0.00 177.10 174.35 1ngm h PRO 96 N 6.86 0.00 -0.23 0.43 0.11 -1.90 -0.26 132.00 137.02 1ngm h PRO 96 Ca -0.03 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 1ngm h PRO 96 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ngm h PRO 96 CO 0.51 0.00 -0.54 -0.22 -0.21 0.00 0.00 178.00 177.55 1ngm h LYS 97 N 0.00 0.67 0.00 1.05 1.63 -2.01 -3.42 116.57 114.49 1ngm h LYS 97 Ca 0.00 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1ngm h LYS 97 Cb 0.62 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1ngm h LYS 97 CO 0.00 1.03 0.00 -2.13 -3.45 0.00 0.00 179.45 174.90 1ngm n ARG 98 N -3.98 0.00 -2.79 1.90 0.63 -0.19 -4.97 116.66 107.26 1ngm n ARG 98 Ca -0.03 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.54 1ngm n ARG 98 Cb 0.61 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.45 1ngm n ARG 98 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1ngm s PHE 99 N 0.16 3.59 -0.79 -0.14 5.36 -0.72 -4.93 117.98 120.50 1ngm s PHE 99 Ca 0.00 1.74 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1ngm s PHE 99 Cb 0.00 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1ngm s PHE 99 CO 0.00 0.11 0.54 0.00 -1.46 0.00 0.00 175.22 174.41 1ngm n ALA 100 N 0.23 2.34 -2.32 11.12 0.00 -1.26 -3.77 120.51 126.85 1ngm n ALA 100 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1ngm n ALA 100 Cb 0.51 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1ngm n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngm s ALA 101 N -0.76 1.80 0.01 0.00 0.00 -1.26 -4.66 121.76 116.89 1ngm s ALA 101 Ca 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 1ngm s ALA 101 Cb 0.00 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 1ngm s ALA 101 CO 0.00 -0.50 0.19 0.08 0.00 0.00 0.00 175.76 175.54 1ngm s VAL 102 N -3.71 5.42 -0.29 0.00 1.01 -1.01 -4.31 120.40 117.51 1ngm s VAL 102 Ca 0.37 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1ngm s VAL 102 Cb 0.06 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.94 1ngm s VAL 102 CO 0.16 0.27 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1ngm s ILE 103 N -1.38 2.31 -0.25 2.22 1.01 -0.93 -2.03 121.20 122.15 1ngm s ILE 103 Ca 0.30 -1.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.12 1ngm s ILE 103 Cb -0.13 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1ngm s ILE 103 CO 0.21 -0.18 -0.01 -0.04 0.00 0.00 0.00 174.94 174.92 1ngm s MET 104 N 1.07 3.20 -0.80 2.79 -1.94 -1.23 -3.16 119.30 119.23 1ngm s MET 104 Ca -0.04 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 1ngm s MET 104 Cb -0.20 -3.12 0.34 0.00 2.01 0.00 0.00 34.83 33.87 1ngm s MET 104 CO -0.05 -0.31 1.53 0.54 -0.01 0.00 0.00 175.02 176.72 1ngm n ARG 105 N 4.79 4.09 -0.88 2.03 1.74 -1.26 -4.08 116.66 123.11 1ngm n ARG 105 Ca -0.17 -4.50 -0.31 0.00 -0.77 0.00 0.00 57.85 52.10 1ngm n ARG 105 Cb 0.49 -2.34 0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1ngm n ARG 105 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1ngm n ILE 106 N -0.25 0.00 -0.10 0.55 0.13 -1.26 -4.76 119.36 113.67 1ngm n ILE 106 Ca 0.43 -0.43 -0.23 0.00 -1.10 0.00 0.00 62.75 61.41 1ngm n ILE 106 Cb 0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 39.02 1ngm n ILE 106 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1ngm n ARG 107 N 2.11 0.61 -4.29 9.51 0.63 -1.26 -3.31 116.66 120.66 1ngm n ARG 107 Ca -0.01 0.44 -0.23 0.00 -0.92 0.00 0.00 57.85 57.13 1ngm n ARG 107 Cb 0.48 -1.68 -0.17 0.00 0.45 0.00 0.00 32.46 31.55 1ngm n ARG 107 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1ngm s GLU 108 N -2.43 1.33 -1.25 -0.14 -1.05 -1.26 -1.62 118.70 112.28 1ngm s GLU 108 Ca -0.30 -0.26 -0.05 0.00 -0.15 0.00 0.00 54.97 54.21 1ngm s GLU 108 Cb 0.08 -1.23 0.11 0.00 -0.44 0.00 0.00 34.13 32.65 1ngm s GLU 108 CO 0.60 -0.07 2.43 -0.35 0.95 0.00 0.00 175.26 178.82 1ngm n PRO 109 N 4.15 4.40 -2.84 -4.83 -0.05 -1.26 -4.95 135.00 129.61 1ngm n PRO 109 Ca -0.21 -3.34 -0.02 0.00 -0.05 0.00 0.00 63.50 59.88 1ngm n PRO 109 Cb 0.51 -2.59 -0.02 0.00 -0.05 0.00 0.00 33.50 31.35 1ngm n PRO 109 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1ngm n LYS 110 N 1.68 -2.86 0.00 0.54 0.00 -0.64 -4.79 118.16 112.09 1ngm n LYS 110 Ca 0.62 2.35 0.00 0.00 0.00 0.00 0.00 58.31 61.28 1ngm n LYS 110 Cb 0.27 -3.60 0.00 0.00 0.00 0.00 0.00 35.03 31.70 1ngm n LYS 110 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ngm n THR 111 N 1.50 0.00 0.00 3.15 -2.24 -1.21 -4.06 114.28 111.42 1ngm n THR 111 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ngm n THR 111 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1ngm n THR 111 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ngm n THR 112 N 0.00 0.00 -3.35 4.28 -1.04 -1.05 -4.28 114.28 108.83 1ngm n THR 112 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ngm n THR 112 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1ngm n THR 112 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ngm n ALA 113 N -1.88 0.00 -2.86 2.41 0.00 -1.24 -3.52 120.51 113.42 1ngm n ALA 113 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ngm n ALA 113 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ngm n ALA 113 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ngm s LEU 114 N 0.00 -0.02 0.15 0.00 2.96 -1.05 -4.68 118.68 116.04 1ngm s LEU 114 Ca 0.00 -0.00 -0.30 0.00 -0.22 0.00 0.00 54.13 53.61 1ngm s LEU 114 Cb 0.00 0.43 -0.07 0.00 0.50 0.00 0.00 46.19 47.05 1ngm s LEU 114 CO 0.00 -0.00 0.97 -0.51 -1.32 0.00 0.00 176.35 175.49 1ngm s ILE 115 N 2.41 4.32 -0.09 6.68 1.10 -0.86 -0.37 121.20 134.39 1ngm s ILE 115 Ca 0.22 2.04 0.01 0.00 -0.51 0.00 0.00 60.65 62.41 1ngm s ILE 115 Cb 0.03 -4.30 -0.02 0.00 0.15 0.00 0.00 42.46 38.32 1ngm s ILE 115 CO -0.19 0.36 -0.11 -0.36 -2.11 0.00 0.00 174.94 172.54 1ngm s PHE 116 N -0.35 2.84 -1.85 3.50 0.40 -1.26 -2.39 117.98 118.86 1ngm s PHE 116 Ca 0.45 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1ngm s PHE 116 Cb -0.25 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1ngm s PHE 116 CO 0.31 0.10 0.44 0.00 0.70 0.00 0.00 175.22 176.77 1ngm n ALA 117 N 2.73 1.38 0.01 5.36 0.00 -1.26 0.15 120.51 128.89 1ngm n ALA 117 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1ngm n ALA 117 Cb 0.53 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1ngm n ALA 117 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngm n SER 118 N -0.93 0.23 0.00 0.00 3.41 -1.26 -1.81 113.62 113.26 1ngm n SER 118 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ngm n SER 118 Cb 0.00 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1ngm n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngm n GLY 119 N 1.30 1.71 2.47 5.00 0.00 0.40 -3.41 105.19 112.65 1ngm n GLY 119 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1ngm n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ngm n LYS 120 N -0.88 0.88 -0.60 1.61 0.00 -1.24 0.18 118.16 118.11 1ngm n LYS 120 Ca 0.00 -3.62 -0.30 0.00 -0.00 0.00 0.00 58.31 54.39 1ngm n LYS 120 Cb 0.00 -1.77 0.20 0.00 -0.00 0.00 0.00 35.03 33.46 1ngm n LYS 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ngm n MET 121 N 2.17 -1.27 -3.75 -1.58 0.00 -1.12 -4.52 117.12 107.04 1ngm n MET 121 Ca 0.26 -0.32 -0.36 0.00 0.00 0.00 0.00 57.70 57.29 1ngm n MET 121 Cb 0.45 -2.28 -0.10 0.00 0.00 0.00 0.00 33.22 31.29 1ngm n MET 121 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ngm s VAL 122 N -2.54 3.55 -0.61 3.17 1.01 0.50 -3.42 120.40 122.06 1ngm s VAL 122 Ca 0.67 -3.01 -0.28 0.00 0.00 0.00 0.00 61.98 59.37 1ngm s VAL 122 Cb -0.24 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1ngm s VAL 122 CO 0.61 -0.87 1.18 -0.69 0.00 0.00 0.00 175.10 175.34 1ngm s VAL 123 N -0.09 4.00 -0.16 2.92 1.01 0.65 -2.53 120.40 126.20 1ngm s VAL 123 Ca 0.17 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1ngm s VAL 123 Cb -0.21 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.43 1ngm s VAL 123 CO -0.03 -1.41 -0.18 0.42 0.00 0.00 0.00 175.10 173.90 1ngm s THR 124 N 5.00 2.34 0.00 3.92 -4.23 -1.26 0.10 115.64 121.50 1ngm s THR 124 Ca 0.40 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1ngm s THR 124 Cb -0.08 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1ngm s THR 124 CO 0.23 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1ngm n GLY 125 N 4.32 0.43 3.51 3.99 0.00 -1.12 -2.54 105.19 113.77 1ngm n GLY 125 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1ngm n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm n ALA 126 N 0.00 -0.87 0.10 4.61 0.00 -1.23 -4.62 120.51 118.49 1ngm n ALA 126 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1ngm n ALA 126 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 1ngm n ALA 126 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ngm h LYS 127 N 1.02 0.00 0.00 0.00 3.64 -1.86 -2.40 116.57 116.96 1ngm h LYS 127 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1ngm h LYS 127 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ngm h LYS 127 CO 0.53 0.06 0.00 0.45 -2.27 0.00 0.00 179.45 178.23 1ngm n SER 128 N -2.75 0.00 0.00 4.20 2.88 -1.26 -4.53 113.62 112.16 1ngm n SER 128 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ngm n SER 128 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1ngm n SER 128 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ngm n GLU 129 N 0.00 1.71 0.48 -1.46 4.71 -1.26 -4.14 120.64 120.67 1ngm n GLU 129 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 1ngm n GLU 129 Cb 0.00 -0.88 -0.09 0.00 -1.01 0.00 0.00 31.44 29.46 1ngm n GLU 129 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1ngm h ASP 130 N 0.00 -1.09 0.00 1.62 5.19 -2.00 -3.15 116.42 117.00 1ngm h ASP 130 Ca 0.00 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1ngm h ASP 130 Cb 0.11 0.29 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 1ngm h ASP 130 CO 0.00 -0.75 -0.39 0.44 -3.12 0.00 0.00 179.24 175.42 1ngm h ASP 131 N -1.23 -1.20 -0.73 6.45 5.19 -1.90 -2.69 116.42 120.31 1ngm h ASP 131 Ca -0.12 0.13 0.13 0.00 -0.62 0.00 0.00 57.03 56.55 1ngm h ASP 131 Cb 0.95 0.45 -0.05 0.00 0.18 0.00 0.00 39.33 40.87 1ngm h ASP 131 CO 0.19 -0.38 0.49 -1.28 -3.12 0.00 0.00 179.24 175.14 1ngm h SER 132 N -0.49 0.43 -0.26 6.45 0.87 -1.72 1.15 113.55 119.98 1ngm h SER 132 Ca 0.01 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1ngm h SER 132 Cb 0.52 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ngm h SER 132 CO -0.26 0.24 -0.44 0.50 -0.53 0.00 0.00 176.83 176.34 1ngm h LYS 133 N 0.47 0.75 0.01 2.24 3.64 -1.55 -3.15 116.57 118.98 1ngm h LYS 133 Ca 0.35 -0.47 -0.26 0.00 -1.27 0.00 0.00 60.65 59.00 1ngm h LYS 133 Cb 0.72 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1ngm h LYS 133 CO -0.12 1.09 -1.05 1.25 -2.27 0.00 0.00 179.45 178.36 1ngm h LEU 134 N 0.50 0.86 -0.75 5.20 5.85 -0.14 -2.43 115.31 124.41 1ngm h LEU 134 Ca 0.02 -0.70 0.15 0.00 0.84 0.00 0.00 57.88 58.19 1ngm h LEU 134 Cb 1.04 -0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.67 1ngm h LEU 134 CO 0.10 1.50 -0.15 0.00 -0.34 0.00 0.00 178.44 179.55 1ngm h ALA 135 N 0.44 0.54 0.00 1.25 0.00 0.10 0.24 119.26 121.84 1ngm h ALA 135 Ca -0.13 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ngm h ALA 135 Cb 1.70 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1ngm h ALA 135 CO 0.20 -0.42 0.00 0.43 0.00 0.00 0.00 179.25 179.47 1ngm n SER 136 N -5.47 0.81 0.19 0.00 7.64 -1.19 -2.88 113.62 112.72 1ngm n SER 136 Ca 0.11 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1ngm n SER 136 Cb 0.40 -0.79 0.19 0.00 -1.01 0.00 0.00 64.21 62.99 1ngm n SER 136 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ngm h ARG 137 N 0.00 0.00 0.00 1.43 3.08 -0.07 -3.30 114.38 115.51 1ngm h ARG 137 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ngm h ARG 137 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ngm h ARG 137 CO 0.00 0.00 -0.71 0.87 -1.07 0.00 0.00 179.97 179.06 1ngm h LYS 138 N 0.00 0.00 0.00 0.04 1.57 -0.97 -3.08 116.57 114.13 1ngm h LYS 138 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ngm h LYS 138 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1ngm h LYS 138 CO 0.00 0.00 -0.58 1.88 -0.57 0.00 0.00 179.45 180.18 1ngm h TYR 139 N 0.00 0.00 -0.00 -1.35 -1.99 -1.67 -3.16 116.97 108.80 1ngm h TYR 139 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ngm h TYR 139 Cb 0.85 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1ngm h TYR 139 CO 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 178.16 177.94 1ngm n ALA 140 N -1.86 2.92 -0.07 3.88 0.00 -1.17 -1.99 120.51 122.23 1ngm n ALA 140 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1ngm n ALA 140 Cb 0.45 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 1ngm n ALA 140 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ngm n ARG 141 N -1.31 0.67 0.07 0.00 3.00 -1.19 -3.98 116.66 113.93 1ngm n ARG 141 Ca 0.09 0.12 -0.08 0.00 -0.00 0.00 0.00 57.85 57.97 1ngm n ARG 141 Cb 0.32 -1.62 -0.05 0.00 0.00 0.00 0.00 32.46 31.11 1ngm n ARG 141 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1ngm h ILE 142 N 0.00 0.43 -0.37 5.15 2.04 -1.54 0.39 117.51 123.61 1ngm h ILE 142 Ca -0.46 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 64.47 1ngm h ILE 142 Cb 2.14 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1ngm h ILE 142 CO 0.04 0.12 0.26 0.40 0.00 0.00 0.00 178.15 178.97 1ngm h ILE 143 N -1.00 0.91 0.23 -0.67 2.04 -1.66 0.18 117.51 117.54 1ngm h ILE 143 Ca -0.03 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ngm h ILE 143 Cb 0.41 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1ngm h ILE 143 CO 0.05 0.04 -0.11 1.56 0.00 0.00 0.00 178.15 179.68 1ngm h GLN 144 N 0.20 -0.30 0.00 2.37 4.20 -1.69 -3.03 115.11 116.86 1ngm h GLN 144 Ca 0.17 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ngm h GLN 144 Cb 0.42 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ngm h GLN 144 CO -0.03 0.05 0.00 1.17 -0.67 0.00 0.00 178.83 179.35 1ngm n LYS 145 N -5.05 0.07 0.00 1.46 4.81 0.13 -3.95 118.16 115.61 1ngm n LYS 145 Ca -0.09 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1ngm n LYS 145 Cb 0.25 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1ngm n LYS 145 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1ngm n ILE 146 N -1.74 0.00 -1.68 3.15 5.41 0.50 -4.99 119.36 120.01 1ngm n ILE 146 Ca 0.04 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1ngm n ILE 146 Cb 0.21 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1ngm n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ngm n GLY 147 N 2.56 -0.18 3.70 7.39 0.00 -1.25 -5.11 105.19 112.31 1ngm n GLY 147 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ngm n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ngm s PHE 148 N 0.00 2.92 0.00 1.61 0.40 -1.14 -5.09 117.98 116.67 1ngm s PHE 148 Ca 0.00 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1ngm s PHE 148 Cb 0.00 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.12 1ngm s PHE 148 CO 0.00 0.52 0.00 0.00 0.70 0.00 0.00 175.22 176.44 1ngm n ALA 149 N -0.18 0.00 -2.58 5.36 0.00 -1.26 -4.36 120.51 117.49 1ngm n ALA 149 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1ngm n ALA 149 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 1ngm n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngm n ALA 150 N -3.00 -3.19 -1.84 0.00 0.00 -1.26 -4.61 120.51 106.61 1ngm n ALA 150 Ca 0.00 1.93 -0.11 0.00 0.00 0.00 0.00 53.44 55.26 1ngm n ALA 150 Cb 0.00 -3.91 0.09 0.00 0.00 0.00 0.00 19.45 15.63 1ngm n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ngm n LYS 151 N 1.81 -0.32 -3.81 0.00 4.01 -0.63 -4.80 118.16 114.41 1ngm n LYS 151 Ca -0.32 -1.19 -0.34 0.00 -0.51 0.00 0.00 58.31 55.95 1ngm n LYS 151 Cb 0.49 -0.57 -0.11 0.00 -0.51 0.00 0.00 35.03 34.33 1ngm n LYS 151 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ngm s PHE 152 N -2.11 3.36 0.04 2.13 5.99 -1.26 -4.19 117.98 121.94 1ngm s PHE 152 Ca 0.37 -2.87 0.06 0.00 0.00 0.00 0.00 56.93 54.49 1ngm s PHE 152 Cb -0.01 -3.06 -0.03 0.00 0.00 0.00 0.00 43.02 39.91 1ngm s PHE 152 CO 0.26 -0.82 -0.14 0.95 -0.00 0.00 0.00 175.22 175.46 1ngm s THR 153 N -0.04 3.08 -0.69 0.12 -4.23 -0.14 -4.85 115.64 108.88 1ngm s THR 153 Ca 0.16 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1ngm s THR 153 Cb -0.22 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1ngm s THR 153 CO -0.02 0.32 0.64 0.47 -0.54 0.00 0.00 174.62 175.48 1ngm n ASP 154 N 1.42 -5.96 -4.55 3.99 9.92 -1.26 -1.66 116.55 118.44 1ngm n ASP 154 Ca -0.16 -0.45 -0.38 0.00 -0.53 0.00 0.00 54.79 53.27 1ngm n ASP 154 Cb 0.52 -2.87 -0.03 0.00 -0.64 0.00 0.00 41.12 38.10 1ngm n ASP 154 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1ngm s PHE 155 N -2.65 2.11 -0.16 1.24 5.36 -1.26 -4.12 117.98 118.50 1ngm s PHE 155 Ca 0.10 0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1ngm s PHE 155 Cb -0.01 -4.42 -0.04 0.00 -0.34 0.00 0.00 43.02 38.21 1ngm s PHE 155 CO 0.85 -2.05 0.05 0.21 -1.46 0.00 0.00 175.22 172.82 1ngm s LYS 156 N 6.08 3.80 -0.37 10.12 2.20 -0.20 -4.98 119.74 136.38 1ngm s LYS 156 Ca 0.51 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.61 1ngm s LYS 156 Cb -0.07 -3.13 -0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1ngm s LYS 156 CO 0.08 0.36 0.38 0.42 -0.36 0.00 0.00 175.35 176.22 1ngm s ILE 157 N 0.13 5.15 -0.05 5.43 1.01 -1.26 0.33 121.20 131.94 1ngm s ILE 157 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 1ngm s ILE 157 Cb -0.12 -3.89 -0.29 0.00 0.01 0.00 0.00 42.46 38.17 1ngm s ILE 157 CO 0.01 -0.20 0.92 1.56 0.00 0.00 0.00 174.94 177.23 1ngm h GLN 158 N 8.55 0.26 -4.58 2.79 1.08 -1.86 -3.44 115.11 117.90 1ngm h GLN 158 Ca -0.29 -0.39 -0.28 0.00 -1.45 0.00 0.00 58.65 56.25 1ngm h GLN 158 Cb 1.13 0.14 -0.21 0.00 -0.05 0.00 0.00 27.48 28.48 1ngm h GLN 158 CO 0.72 1.15 -0.74 1.21 -0.95 0.00 0.00 178.83 180.23 1ngm s ASN 159 N -6.75 0.88 0.04 1.46 3.04 -1.24 -4.56 114.94 107.79 1ngm s ASN 159 Ca -0.15 -0.54 0.06 0.00 0.04 0.00 0.00 52.86 52.28 1ngm s ASN 159 Cb 0.01 0.03 -0.02 0.00 -1.54 0.00 0.00 41.25 39.72 1ngm s ASN 159 CO 0.80 -0.19 -0.17 -0.63 -3.04 0.00 0.00 177.10 173.87 1ngm s ILE 160 N -1.33 1.36 0.18 -5.21 1.01 -0.04 0.38 121.20 117.55 1ngm s ILE 160 Ca -0.09 -1.06 0.09 0.00 0.00 0.00 0.00 60.65 59.58 1ngm s ILE 160 Cb -0.10 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1ngm s ILE 160 CO 0.00 0.12 -0.11 -0.69 0.00 0.00 0.00 174.94 174.27 1ngm s VAL 161 N -0.79 3.14 0.32 2.92 1.01 0.21 -2.15 120.40 125.05 1ngm s VAL 161 Ca 0.05 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.40 1ngm s VAL 161 Cb -0.08 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1ngm s VAL 161 CO 0.01 -0.09 0.11 -0.83 0.00 0.00 0.00 175.10 174.30 1ngm s GLY 162 N -2.77 2.09 -0.03 4.51 0.00 -1.24 -3.42 107.32 106.46 1ngm s GLY 162 Ca 0.24 -1.75 -0.31 0.00 0.00 0.00 0.00 44.72 42.90 1ngm s GLY 162 CO 0.15 -1.70 1.29 -1.35 0.00 0.00 0.00 173.10 171.48 1ngm s SER 163 N -3.44 -0.06 0.00 1.64 1.04 -1.05 -2.18 113.70 109.65 1ngm s SER 163 Ca 0.34 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1ngm s SER 163 Cb 0.06 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1ngm s SER 163 CO 0.15 -0.29 0.00 0.00 0.98 0.00 0.00 173.24 174.09 1ngm s ASP 165 N -0.44 2.64 0.00 0.00 2.15 -1.26 -2.90 116.67 116.85 1ngm s ASP 165 Ca 0.00 -0.53 0.28 0.00 0.43 0.00 0.00 52.55 52.73 1ngm s ASP 165 Cb 0.00 -0.97 1.65 0.00 -0.30 0.00 0.00 42.92 43.30 1ngm s ASP 165 CO 0.00 -0.13 2.00 1.33 -0.17 0.00 0.00 175.17 178.20 1ngm n VAL 166 N 4.86 0.00 -1.68 1.11 0.24 -0.95 -4.91 118.33 117.00 1ngm n VAL 166 Ca -0.13 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.01 1ngm n VAL 166 Cb 0.49 -0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 1ngm n VAL 166 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ngm n LYS 167 N -0.99 -1.10 -3.72 7.34 5.02 -1.26 -5.00 118.16 118.45 1ngm n LYS 167 Ca 0.21 0.96 -0.14 0.00 -2.02 0.00 0.00 58.31 57.32 1ngm n LYS 167 Cb 0.09 -5.16 -0.08 0.00 -0.02 0.00 0.00 35.03 29.87 1ngm n LYS 167 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ngm s PHE 168 N -2.62 -0.23 0.42 2.13 -0.12 -1.26 -5.12 117.98 111.17 1ngm s PHE 168 Ca 0.00 0.32 -0.26 0.00 -0.05 0.00 0.00 56.93 56.94 1ngm s PHE 168 Cb 0.00 0.14 -0.10 0.00 -0.63 0.00 0.00 43.02 42.44 1ngm s PHE 168 CO 0.00 -0.45 1.37 -2.30 -0.05 0.00 0.00 175.22 173.79 1ngm n PRO 169 N 1.06 2.21 -4.14 1.99 -0.02 -1.21 -3.95 135.00 130.94 1ngm n PRO 169 Ca -0.21 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1ngm n PRO 169 Cb 0.57 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1ngm n PRO 169 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ngm s ILE 170 N -1.17 1.43 0.36 4.25 1.01 -0.38 -3.25 121.20 123.44 1ngm s ILE 170 Ca 0.59 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 1ngm s ILE 170 Cb -0.49 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.55 1ngm s ILE 170 CO 0.59 0.43 1.20 0.00 0.00 0.00 0.00 174.94 177.16 1ngm s ARG 171 N 1.36 4.26 0.00 2.79 1.70 -1.23 -4.55 118.95 123.28 1ngm s ARG 171 Ca 0.01 1.94 0.00 0.00 -0.47 0.00 0.00 55.73 57.21 1ngm s ARG 171 Cb -0.13 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 1ngm s ARG 171 CO -0.07 -0.18 0.00 1.28 -1.08 0.00 0.00 175.30 175.25 1ngm n LEU 172 N 0.51 0.00 0.09 -1.89 4.77 -1.26 -4.40 117.00 114.82 1ngm n LEU 172 Ca 0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1ngm n LEU 172 Cb 0.45 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.98 1ngm n LEU 172 CO 0.54 0.00 0.82 -1.84 -1.33 0.00 0.00 177.39 175.58 1ngm n GLU 173 N -1.44 0.14 -0.06 3.23 0.00 -1.26 -2.85 120.64 118.40 1ngm n GLU 173 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 57.16 57.47 1ngm n GLU 173 Cb 0.20 -1.77 -0.09 0.00 0.00 0.00 0.00 31.44 29.78 1ngm n GLU 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ngm n GLY 174 N -0.01 -0.58 0.36 -1.84 0.00 -1.26 -4.37 105.19 97.48 1ngm n GLY 174 Ca 0.02 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ngm n GLY 174 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ngm h LEU 175 N 0.00 0.52 -0.59 0.99 6.46 -1.75 -0.78 115.31 120.16 1ngm h LEU 175 Ca -0.33 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1ngm h LEU 175 Cb 1.74 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1ngm h LEU 175 CO 0.01 0.32 0.00 0.00 -0.62 0.00 0.00 178.44 178.15 1ngm n ALA 176 N -2.48 1.42 -0.04 1.25 0.00 -1.13 -2.31 120.51 117.23 1ngm n ALA 176 Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 1ngm n ALA 176 Cb 0.33 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ngm n ALA 176 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ngm h PHE 177 N 0.00 0.00 0.31 0.00 3.57 -1.36 -3.28 116.94 116.19 1ngm h PHE 177 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ngm h PHE 177 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ngm h PHE 177 CO 0.00 0.00 -0.15 1.03 -2.23 0.00 0.00 178.31 176.96 1ngm h SER 178 N -0.64 -0.36 -0.55 0.41 0.87 -1.56 -3.25 113.55 108.47 1ngm h SER 178 Ca 0.00 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.28 1ngm h SER 178 Cb 0.15 0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 62.04 1ngm h SER 178 CO 0.00 -0.16 0.37 1.41 -0.53 0.00 0.00 176.83 177.91 1ngm n HIS 179 N -3.66 1.71 1.98 2.24 8.25 -0.98 -4.36 115.22 120.40 1ngm n HIS 179 Ca -0.05 -1.25 0.16 0.00 -0.26 0.00 0.00 57.72 56.32 1ngm n HIS 179 Cb 0.17 -0.64 0.94 0.00 1.12 0.00 0.00 29.99 31.58 1ngm n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ngm n GLY 180 N -0.41 -1.00 0.13 -1.41 0.00 -1.20 -2.22 105.19 99.08 1ngm n GLY 180 Ca 0.33 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ngm n GLY 180 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ngm h THR 181 N 0.02 0.00 -0.00 2.61 1.35 -1.84 -3.23 112.91 111.82 1ngm h THR 181 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1ngm h THR 181 Cb 0.01 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1ngm h THR 181 CO 0.00 0.00 -0.42 0.49 -0.25 0.00 0.00 175.52 175.34 1ngm n PHE 182 N -2.44 0.00 -4.38 4.73 3.01 -0.94 -5.07 117.46 112.38 1ngm n PHE 182 Ca 0.05 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.26 1ngm n PHE 182 Cb 0.45 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.83 1ngm n PHE 182 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ngm s SER 183 N -1.84 3.94 -0.23 4.37 0.01 -1.12 -1.24 113.70 117.59 1ngm s SER 183 Ca 0.06 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.49 1ngm s SER 183 Cb 0.09 -0.52 0.11 0.00 0.21 0.00 0.00 66.02 65.91 1ngm s SER 183 CO 0.39 0.06 0.29 -0.55 0.41 0.00 0.00 173.24 173.85 1ngm s SER 184 N -3.20 0.94 -0.22 2.44 0.15 -1.10 -4.86 113.70 107.84 1ngm s SER 184 Ca 0.27 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 1ngm s SER 184 Cb -0.07 0.69 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 1ngm s SER 184 CO 0.15 -0.32 -0.02 -0.47 1.20 0.00 0.00 173.24 173.78 1ngm s TYR 185 N 2.42 1.96 -0.29 3.44 5.04 -1.26 -3.21 117.35 125.44 1ngm s TYR 185 Ca 0.09 -1.47 -0.02 0.00 -2.44 0.00 0.00 57.07 53.23 1ngm s TYR 185 Cb -0.15 -1.40 0.04 0.00 0.35 0.00 0.00 41.96 40.80 1ngm s TYR 185 CO -0.15 -0.72 -0.00 -1.21 -1.34 0.00 0.00 175.55 172.12 1ngm s GLU 186 N 1.54 2.54 0.08 4.97 0.41 -1.26 -5.05 118.70 121.93 1ngm s GLU 186 Ca -0.04 -1.19 -0.35 0.00 -0.41 0.00 0.00 54.97 52.98 1ngm s GLU 186 Cb -0.18 -3.16 -0.17 0.00 -1.78 0.00 0.00 34.13 28.83 1ngm s GLU 186 CO -0.07 -0.58 1.58 -1.35 -0.49 0.00 0.00 175.26 174.36 1ngm h PRO 187 N 8.02 -0.95 -0.03 0.39 0.11 -1.92 -2.46 132.00 135.16 1ngm h PRO 187 Ca -0.24 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1ngm h PRO 187 Cb 1.07 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ngm h PRO 187 CO 0.55 -0.63 0.00 0.39 -0.21 0.00 0.00 178.00 178.09 1ngm n GLU 188 N -5.55 1.38 -0.09 1.05 -0.58 -1.26 -3.39 120.64 112.20 1ngm n GLU 188 Ca -0.12 -0.56 -0.17 0.00 -0.42 0.00 0.00 57.16 55.88 1ngm n GLU 188 Cb 0.44 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1ngm n GLU 188 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ngm h LEU 189 N 1.30 0.00 -6.89 -4.62 6.46 -1.95 -3.47 115.31 106.14 1ngm h LEU 189 Ca 0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.03 1ngm h LEU 189 Cb 0.28 0.00 -0.23 0.00 -0.73 0.00 0.00 40.66 39.97 1ngm h LEU 189 CO 0.00 1.21 -0.25 0.12 -0.62 0.00 0.00 178.44 178.90 1ngm s PHE 190 N -2.27 -1.15 -0.77 1.25 5.36 -0.95 -5.05 117.98 114.41 1ngm s PHE 190 Ca -0.23 1.88 0.09 0.00 -0.96 0.00 0.00 56.93 57.70 1ngm s PHE 190 Cb 0.01 0.55 0.43 0.00 -0.34 0.00 0.00 43.02 43.67 1ngm s PHE 190 CO 0.62 -0.63 1.26 -0.35 -1.46 0.00 0.00 175.22 174.66 1ngm n PRO 191 N 5.42 0.05 -2.61 10.12 -0.04 -1.22 -4.52 135.00 142.19 1ngm n PRO 191 Ca -0.09 0.50 -0.28 0.00 -0.04 0.00 0.00 63.50 63.59 1ngm n PRO 191 Cb 0.49 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1ngm n PRO 191 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ngm s GLY 192 N -3.17 1.60 -0.23 0.55 0.00 -1.26 -4.43 107.32 100.38 1ngm s GLY 192 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.26 1ngm s GLY 192 CO 0.10 -0.23 0.01 -2.27 0.00 0.00 0.00 173.10 170.71 1ngm s LEU 193 N -4.60 3.18 -0.26 0.66 0.20 -0.83 -4.66 118.68 112.37 1ngm s LEU 193 Ca 0.49 -0.28 -0.22 0.00 0.69 0.00 0.00 54.13 54.81 1ngm s LEU 193 Cb -0.10 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 1ngm s LEU 193 CO 0.43 -0.01 0.72 -0.63 -0.29 0.00 0.00 176.35 176.57 1ngm s ILE 194 N 1.43 4.91 -0.35 6.68 1.01 -1.20 -1.23 121.20 132.45 1ngm s ILE 194 Ca 0.05 1.27 -0.09 0.00 0.00 0.00 0.00 60.65 61.88 1ngm s ILE 194 Cb -0.15 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.32 1ngm s ILE 194 CO 0.01 -0.05 0.17 -0.47 0.00 0.00 0.00 174.94 174.59 1ngm s TYR 195 N 2.69 3.22 -0.70 3.97 5.04 -0.29 -2.72 117.35 128.55 1ngm s TYR 195 Ca 0.30 -0.96 -0.20 0.00 -2.44 0.00 0.00 57.07 53.77 1ngm s TYR 195 Cb -0.15 -2.38 0.10 0.00 0.35 0.00 0.00 41.96 39.88 1ngm s TYR 195 CO 0.09 -0.61 0.91 0.50 -1.34 0.00 0.00 175.55 175.10 1ngm s ARG 196 N 1.54 3.21 0.09 4.97 6.06 -0.38 -1.85 118.95 132.60 1ngm s ARG 196 Ca 0.02 -1.24 -0.13 0.00 -2.50 0.00 0.00 55.73 51.88 1ngm s ARG 196 Cb -0.19 -4.40 -0.06 0.00 0.06 0.00 0.00 34.95 30.36 1ngm s ARG 196 CO 0.05 -1.71 0.48 1.41 -2.50 0.00 0.00 175.30 173.03 1ngm s MET 197 N 3.21 3.91 -0.24 5.12 -2.45 -1.25 -4.80 119.30 122.79 1ngm s MET 197 Ca 0.21 0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 54.92 1ngm s MET 197 Cb -0.16 -3.02 -0.16 0.00 1.25 0.00 0.00 34.83 32.73 1ngm s MET 197 CO 0.04 0.55 -0.12 1.33 1.05 0.00 0.00 175.02 177.87 1ngm n VAL 198 N 1.06 1.55 -3.84 10.11 0.24 -1.26 -3.43 118.33 122.76 1ngm n VAL 198 Ca -0.08 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 1ngm n VAL 198 Cb 0.52 -1.80 -0.14 0.00 -1.47 0.00 0.00 33.84 30.95 1ngm n VAL 198 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ngm s LYS 199 N -2.49 1.36 0.58 7.34 2.20 -1.26 -1.38 119.74 126.10 1ngm s LYS 199 Ca -0.34 -1.91 -0.03 0.00 -0.36 0.00 0.00 55.97 53.33 1ngm s LYS 199 Cb 0.11 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1ngm s LYS 199 CO 0.57 -1.06 0.86 -1.25 -0.36 0.00 0.00 175.35 174.11 1ngm s PRO 200 N 0.62 2.69 -1.15 4.03 0.05 -1.26 -5.00 135.00 134.98 1ngm s PRO 200 Ca 0.14 -0.33 -0.20 0.00 0.05 0.00 0.00 61.00 60.66 1ngm s PRO 200 Cb -0.22 -2.35 -0.04 0.00 0.05 0.00 0.00 34.50 31.94 1ngm s PRO 200 CO -0.07 -0.75 1.95 1.17 0.05 0.00 0.00 177.00 179.35 1ngm n LYS 201 N -2.51 2.21 -4.30 4.56 4.81 -0.48 -4.75 118.16 117.71 1ngm n LYS 201 Ca 0.05 -2.51 -0.28 0.00 -0.87 0.00 0.00 58.31 54.71 1ngm n LYS 201 Cb 0.59 -3.35 -0.17 0.00 0.02 0.00 0.00 35.03 32.12 1ngm n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ngm s ILE 202 N 6.02 1.33 -0.27 3.15 1.01 -1.22 -4.53 121.20 126.69 1ngm s ILE 202 Ca 0.57 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 60.47 1ngm s ILE 202 Cb 0.08 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1ngm s ILE 202 CO 0.07 0.41 0.74 -0.69 0.00 0.00 0.00 174.94 175.47 1ngm s VAL 203 N 1.15 4.87 0.06 2.92 1.01 -0.65 -3.92 120.40 125.85 1ngm s VAL 203 Ca -0.04 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 1ngm s VAL 203 Cb -0.14 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1ngm s VAL 203 CO -0.03 -0.10 0.38 -0.76 0.00 0.00 0.00 175.10 174.59 1ngm s LEU 204 N 2.76 4.36 -0.24 3.92 1.02 -0.77 -3.08 118.68 126.66 1ngm s LEU 204 Ca 0.31 0.78 0.01 0.00 0.02 0.00 0.00 54.13 55.25 1ngm s LEU 204 Cb -0.15 -2.90 0.04 0.00 0.02 0.00 0.00 46.19 43.20 1ngm s LEU 204 CO 0.10 0.20 -0.12 -0.76 0.02 0.00 0.00 176.35 175.78 1ngm s LEU 205 N -1.80 3.03 -0.46 1.79 1.02 0.24 -1.13 118.68 121.36 1ngm s LEU 205 Ca 0.31 -1.08 -0.10 0.00 0.02 0.00 0.00 54.13 53.29 1ngm s LEU 205 Cb -0.14 -1.56 0.11 0.00 0.02 0.00 0.00 46.19 44.62 1ngm s LEU 205 CO 0.17 -0.13 0.33 -0.63 0.02 0.00 0.00 176.35 176.12 1ngm s ILE 206 N 1.20 4.33 0.42 -0.59 -1.09 -0.36 -0.77 121.20 124.33 1ngm s ILE 206 Ca -0.03 -1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 56.72 1ngm s ILE 206 Cb -0.17 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1ngm s ILE 206 CO -0.07 -0.69 0.70 -0.36 -1.23 0.00 0.00 174.94 173.28 1ngm s PHE 207 N 1.41 3.53 0.24 3.97 0.08 -0.66 -1.97 117.98 124.58 1ngm s PHE 207 Ca 0.05 0.71 -0.04 0.00 0.12 0.00 0.00 56.93 57.77 1ngm s PHE 207 Cb -0.25 -2.20 0.44 0.00 -0.57 0.00 0.00 43.02 40.43 1ngm s PHE 207 CO 0.01 -0.11 1.76 0.28 -0.10 0.00 0.00 175.22 177.06 1ngm h VAL 208 N 0.59 0.75 -0.44 -0.44 2.07 -1.80 -2.08 116.25 114.90 1ngm h VAL 208 Ca -0.48 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1ngm h VAL 208 Cb 1.20 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ngm h VAL 208 CO 0.62 0.10 0.11 0.77 0.02 0.00 0.00 177.57 179.20 1ngm h SER 209 N 0.56 0.61 0.00 0.57 4.64 -1.89 -1.01 113.55 117.03 1ngm h SER 209 Ca 0.41 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ngm h SER 209 Cb 0.54 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ngm h SER 209 CO -0.34 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1ngm n GLY 210 N -0.98 0.72 3.75 -0.77 0.00 -0.78 -3.31 105.19 103.82 1ngm n GLY 210 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1ngm n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 211 N 0.00 4.14 -0.11 1.61 1.02 -1.25 -2.24 119.74 122.90 1ngm s LYS 211 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.10 1ngm s LYS 211 Cb 0.00 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1ngm s LYS 211 CO 0.00 0.34 -0.17 0.42 -0.92 0.00 0.00 175.35 175.01 1ngm s ILE 212 N 0.17 2.67 -0.17 2.17 -1.09 -1.14 -1.65 121.20 122.16 1ngm s ILE 212 Ca 0.17 -0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 57.64 1ngm s ILE 212 Cb -0.13 -2.08 -0.05 0.00 -1.58 0.00 0.00 42.46 38.62 1ngm s ILE 212 CO 0.04 0.54 0.31 -0.69 -1.23 0.00 0.00 174.94 173.92 1ngm s VAL 213 N 0.27 5.29 -0.33 2.92 1.01 0.05 -3.22 120.40 126.38 1ngm s VAL 213 Ca -0.12 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1ngm s VAL 213 Cb -0.16 -3.65 0.45 0.00 0.00 0.00 0.00 36.38 33.01 1ngm s VAL 213 CO 0.06 0.36 1.17 -0.11 0.00 0.00 0.00 175.10 176.59 1ngm n LEU 214 N 3.73 4.82 -4.77 3.92 0.00 -0.93 0.80 117.00 124.57 1ngm n LEU 214 Ca -0.11 -4.86 -0.40 0.00 0.00 0.00 0.00 56.01 50.64 1ngm n LEU 214 Cb 0.52 -0.36 0.01 0.00 0.00 0.00 0.00 43.42 43.59 1ngm n LEU 214 CO 0.40 2.13 1.04 0.28 0.00 0.00 0.00 177.39 181.24 1ngm s THR 215 N -4.85 2.22 0.00 1.96 -1.32 -1.18 -3.63 115.64 108.85 1ngm s THR 215 Ca 0.50 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1ngm s THR 215 Cb 0.41 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1ngm s THR 215 CO -0.03 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1ngm n GLY 216 N 0.60 0.80 3.78 6.08 0.00 -0.91 -1.64 105.19 113.90 1ngm n GLY 216 Ca 0.05 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ngm n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 217 N 0.00 2.08 -0.23 4.61 0.00 -1.26 -4.55 121.76 122.42 1ngm s ALA 217 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 51.96 1ngm s ALA 217 Cb 0.00 -3.14 -0.18 0.00 0.00 0.00 0.00 23.12 19.80 1ngm s ALA 217 CO 0.00 -1.87 0.38 1.63 0.00 0.00 0.00 175.76 175.90 1ngm n LYS 218 N -3.54 1.24 -4.56 0.00 5.02 -1.26 -0.86 118.16 114.20 1ngm n LYS 218 Ca 0.07 -0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1ngm n LYS 218 Cb 0.56 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 1ngm n LYS 218 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ngm s GLN 219 N -2.67 2.41 0.16 1.97 -0.21 -1.26 -4.90 119.66 115.16 1ngm s GLN 219 Ca -0.01 -0.79 -0.13 0.00 0.02 0.00 0.00 55.36 54.44 1ngm s GLN 219 Cb 0.09 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.74 1ngm s GLN 219 CO 0.54 0.59 1.69 -0.09 -2.12 0.00 0.00 175.29 175.90 1ngm h ARG 220 N 4.61 0.82 -0.64 2.91 2.43 -2.02 -2.79 114.38 119.70 1ngm h ARG 220 Ca -0.48 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 58.55 1ngm h ARG 220 Cb 1.16 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1ngm h ARG 220 CO 0.52 0.75 0.42 0.93 -1.51 0.00 0.00 179.97 181.08 1ngm h GLU 221 N 0.73 0.74 0.11 0.20 3.07 -2.00 -2.55 114.58 114.89 1ngm h GLU 221 Ca 0.17 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1ngm h GLU 221 Cb 0.26 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1ngm h GLU 221 CO -0.01 0.49 -0.19 0.93 -1.40 0.00 0.00 179.01 178.83 1ngm h GLU 222 N 0.76 -0.31 -0.83 2.33 5.08 -1.92 -2.69 114.58 117.00 1ngm h GLU 222 Ca 0.26 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.82 1ngm h GLU 222 Cb 0.08 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 1ngm h GLU 222 CO -0.07 -0.20 -0.14 0.82 -1.00 0.00 0.00 179.01 178.42 1ngm h ILE 223 N -0.32 0.19 -0.45 3.13 2.04 -1.43 0.19 117.51 120.86 1ngm h ILE 223 Ca -0.01 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1ngm h ILE 223 Cb 0.30 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ngm h ILE 223 CO -0.07 0.00 0.30 1.88 0.00 0.00 0.00 178.15 180.27 1ngm h TYR 224 N 0.02 0.49 0.00 1.37 0.05 -1.40 0.74 116.97 118.25 1ngm h TYR 224 Ca 0.42 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.13 1ngm h TYR 224 Cb 0.70 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1ngm h TYR 224 CO -0.58 0.29 -0.39 1.96 -1.05 0.00 0.00 178.16 178.39 1ngm h GLN 225 N 0.52 0.00 0.00 4.88 4.20 -0.62 -2.65 115.11 121.44 1ngm h GLN 225 Ca 0.18 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1ngm h GLN 225 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ngm h GLN 225 CO -0.04 0.39 -0.20 0.00 -0.67 0.00 0.00 178.83 178.31 1ngm h ALA 226 N 1.61 0.99 0.05 3.87 0.00 -0.62 0.07 119.26 125.22 1ngm h ALA 226 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ngm h ALA 226 Cb 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ngm h ALA 226 CO 0.05 0.25 -0.27 0.35 0.00 0.00 0.00 179.25 179.63 1ngm h PHE 227 N 0.00 0.18 -0.62 0.00 3.57 -1.36 -3.16 116.94 115.54 1ngm h PHE 227 Ca -0.00 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.37 1ngm h PHE 227 Cb 0.79 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1ngm h PHE 227 CO 0.00 1.11 0.41 0.93 -2.23 0.00 0.00 178.31 178.52 1ngm h GLU 228 N -0.80 0.81 -0.23 1.11 4.39 -1.35 -1.96 114.58 116.55 1ngm h GLU 228 Ca -0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1ngm h GLU 228 Cb 1.21 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1ngm h GLU 228 CO 0.05 0.54 0.07 0.00 -1.16 0.00 0.00 179.01 178.51 1ngm h ALA 229 N 1.22 0.30 0.00 3.43 0.00 -1.13 -2.97 119.26 120.11 1ngm h ALA 229 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ngm h ALA 229 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ngm h ALA 229 CO -0.05 -0.07 0.00 1.51 0.00 0.00 0.00 179.25 180.65 1ngm n ILE 230 N -4.76 0.27 0.32 0.00 3.06 -1.14 -4.31 119.36 112.80 1ngm n ILE 230 Ca -0.03 0.07 -0.16 0.00 -2.50 0.00 0.00 62.75 60.12 1ngm n ILE 230 Cb 0.16 -0.65 -0.08 0.00 0.54 0.00 0.00 39.64 39.61 1ngm n ILE 230 CO 0.00 0.00 0.00 0.22 -2.50 0.00 0.00 176.55 174.27 1ngm h TYR 231 N 0.00 -0.74 0.00 9.51 3.20 -1.19 -0.60 116.97 127.15 1ngm h TYR 231 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ngm h TYR 231 Cb 0.35 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ngm h TYR 231 CO 0.00 -0.42 0.06 -2.30 -1.64 0.00 0.00 178.16 173.87 1ngm n PRO 232 N -5.38 0.03 -0.02 1.82 -0.02 -1.26 0.02 135.00 130.18 1ngm n PRO 232 Ca -0.12 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.68 1ngm n PRO 232 Cb 0.35 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1ngm n PRO 232 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ngm n VAL 233 N -1.61 1.67 0.31 -1.45 0.31 -0.96 -3.01 118.33 113.59 1ngm n VAL 233 Ca -0.00 -0.71 0.16 0.00 -0.01 0.00 0.00 64.34 63.78 1ngm n VAL 233 Cb 0.07 -1.39 0.65 0.00 -0.91 0.00 0.00 33.84 32.26 1ngm n VAL 233 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ngm h LEU 234 N 0.04 0.00 0.16 7.52 3.38 0.12 -2.87 115.31 123.65 1ngm h LEU 234 Ca -0.40 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.24 1ngm h LEU 234 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1ngm h LEU 234 CO 0.07 0.00 -1.64 0.28 0.09 0.00 0.00 178.44 177.23 1ngm h SER 235 N 0.00 0.54 -0.13 -0.43 0.02 -1.13 -3.38 113.55 109.04 1ngm h SER 235 Ca 0.00 -0.76 -0.17 0.00 -0.84 0.00 0.00 61.79 60.02 1ngm h SER 235 Cb 0.47 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ngm h SER 235 CO 0.00 1.64 -0.52 -0.08 -1.14 0.00 0.00 176.83 176.73 1ngm h GLU 236 N 0.09 0.71 -4.20 3.45 4.81 -1.46 -3.40 114.58 114.58 1ngm h GLU 236 Ca -0.30 -0.44 -0.75 0.00 -0.13 0.00 0.00 59.36 57.75 1ngm h GLU 236 Cb 2.07 0.05 -0.23 0.00 0.63 0.00 0.00 28.75 31.27 1ngm h GLU 236 CO 0.18 1.06 -0.25 -0.06 -0.73 0.00 0.00 179.01 179.21 1ngm s PHE 237 N -4.10 3.24 0.27 0.92 0.40 -1.09 -5.03 117.98 112.59 1ngm s PHE 237 Ca -0.09 -1.13 -0.10 0.00 -0.60 0.00 0.00 56.93 55.01 1ngm s PHE 237 Cb 0.11 -3.56 -0.00 0.00 0.51 0.00 0.00 43.02 40.07 1ngm s PHE 237 CO 0.86 -0.94 0.48 1.03 0.70 0.00 0.00 175.22 177.35 1ngm s ARG 238 N 1.67 1.64 -0.47 0.44 0.52 -1.26 -3.51 118.95 117.97 1ngm s ARG 238 Ca 0.04 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 1ngm s ARG 238 Cb -0.27 0.46 0.12 0.00 0.52 0.00 0.00 34.95 35.78 1ngm s ARG 238 CO 0.05 -0.68 0.25 0.15 0.02 0.00 0.00 175.30 175.09 1ngm s LYS 239 N -3.75 2.08 0.00 3.54 1.02 -1.20 -4.54 119.74 116.89 1ngm s LYS 239 Ca 0.24 -2.10 0.25 0.00 0.02 0.00 0.00 55.97 54.39 1ngm s LYS 239 Cb -0.00 -3.55 1.50 0.00 -0.52 0.00 0.00 37.83 35.25 1ngm s LYS 239 CO 0.11 -1.09 1.86 -0.12 -0.92 0.00 0.00 175.35 175.19