#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 2.94 3.62 0.23 0.00 -1.26 -5.02 105.19 105.71 1ngm n GLY 62 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.55 5.15 -0.28 -0.61 1.01 -1.26 -5.06 121.20 117.60 1ngm s ILE 63 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.79 1ngm s ILE 63 Cb 0.00 -3.40 0.07 0.00 0.01 0.00 0.00 42.46 39.14 1ngm s ILE 63 CO 0.00 0.35 -0.06 -0.69 0.00 0.00 0.00 174.94 174.54 1ngm s VAL 64 N 1.09 2.27 0.27 2.92 1.01 -1.26 -4.94 120.40 121.76 1ngm s VAL 64 Ca 0.07 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 59.98 1ngm s VAL 64 Cb -0.14 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.68 1ngm s VAL 64 CO 0.04 -0.17 0.92 -2.65 0.00 0.00 0.00 175.10 173.25 1ngm n PRO 65 N 4.41 1.09 -3.12 2.72 -0.02 -1.26 -4.94 135.00 133.87 1ngm n PRO 65 Ca -0.10 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 1ngm n PRO 65 Cb 0.42 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.02 4.59 -0.14 3.45 -4.23 -1.25 -4.88 115.64 112.16 1ngm s THR 66 Ca 0.60 1.25 -0.25 0.00 -1.18 0.00 0.00 61.69 62.10 1ngm s THR 66 Cb -0.75 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.23 1ngm s THR 66 CO 0.59 0.20 0.83 -0.76 -0.54 0.00 0.00 174.62 174.94 1ngm s LEU 67 N -1.99 4.21 0.00 4.79 2.01 -1.26 -2.11 118.68 124.33 1ngm s LEU 67 Ca 0.43 1.22 0.00 0.00 0.01 0.00 0.00 54.13 55.79 1ngm s LEU 67 Cb -0.16 -3.24 0.00 0.00 0.01 0.00 0.00 46.19 42.79 1ngm s LEU 67 CO 0.21 -0.34 0.00 0.00 1.01 0.00 0.00 176.35 177.22 1ngm n GLN 68 N 4.89 0.00 -5.14 1.70 1.13 0.00 -4.79 117.38 115.17 1ngm n GLN 68 Ca 0.04 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.78 1ngm n GLN 68 Cb 0.49 -0.30 -0.16 0.00 0.11 0.00 0.00 30.24 30.39 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 -3.81 3.35 -0.17 1.08 3.04 -1.20 -3.79 114.94 113.44 1ngm s ASN 69 Ca 0.00 -0.44 -0.01 0.00 0.04 0.00 0.00 52.86 52.45 1ngm s ASN 69 Cb 0.00 -0.94 -0.01 0.00 -1.54 0.00 0.00 41.25 38.76 1ngm s ASN 69 CO 0.00 0.25 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.57 1ngm s ILE 70 N -0.19 2.98 -0.15 -5.21 1.01 0.47 -0.06 121.20 120.04 1ngm s ILE 70 Ca -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1ngm s ILE 70 Cb -0.14 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1ngm s ILE 70 CO 0.03 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 1ngm s VAL 71 N 0.90 3.39 0.36 2.92 1.01 0.21 -3.67 120.40 125.51 1ngm s VAL 71 Ca -0.03 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1ngm s VAL 71 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1ngm s VAL 71 CO -0.00 0.50 0.26 0.00 0.00 0.00 0.00 175.10 175.85 1ngm s ALA 72 N 0.56 2.15 0.05 5.51 0.00 -0.19 -0.76 121.76 129.07 1ngm s ALA 72 Ca -0.06 -1.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 1ngm s ALA 72 Cb -0.15 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.27 1ngm s ALA 72 CO 0.03 -0.60 -0.02 -0.08 0.00 0.00 0.00 175.76 175.09 1ngm s THR 73 N -3.35 0.19 0.01 0.00 -1.32 -0.85 -1.10 115.64 109.22 1ngm s THR 73 Ca 0.37 -1.60 -0.01 0.00 -1.21 0.00 0.00 61.69 59.24 1ngm s THR 73 Cb 0.02 -1.27 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 1ngm s THR 73 CO 0.26 -0.89 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.09 1ngm s VAL 74 N -3.43 0.07 -0.11 5.08 1.01 -0.66 -3.20 120.40 119.16 1ngm s VAL 74 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ngm s VAL 74 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1ngm s VAL 74 CO -0.08 -0.30 -0.06 -0.89 0.00 0.00 0.00 175.10 173.77 1ngm s THR 75 N -0.90 3.75 -0.19 3.92 2.01 0.48 -1.88 115.64 122.83 1ngm s THR 75 Ca -0.10 -0.44 0.18 0.00 0.31 0.00 0.00 61.69 61.64 1ngm s THR 75 Cb -0.06 -2.58 -0.25 0.00 0.01 0.00 0.00 72.50 69.62 1ngm s THR 75 CO -0.00 0.55 0.09 0.18 -0.69 0.00 0.00 174.62 174.75 1ngm n LEU 76 N 2.84 0.03 0.00 4.42 4.77 -0.16 -2.48 117.00 126.42 1ngm n LEU 76 Ca -0.18 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1ngm n LEU 76 Cb 0.53 0.49 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1ngm n LEU 76 CO 0.30 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1ngm n GLY 77 N 1.74 0.92 3.02 -0.72 0.00 -1.24 -1.16 105.19 107.74 1ngm n GLY 77 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.21 3.00 -0.08 0.00 1.81 -1.23 -3.77 118.95 117.46 1ngm s ARG 79 Ca -0.08 1.92 0.01 0.00 -1.72 0.00 0.00 55.73 55.85 1ngm s ARG 79 Cb -0.08 -2.00 0.02 0.00 -0.45 0.00 0.00 34.95 32.44 1ngm s ARG 79 CO 0.00 -1.21 -0.08 -0.51 -0.68 0.00 0.00 175.30 172.82 1ngm s LEU 80 N -3.95 1.34 -0.67 2.53 1.43 0.28 -4.92 118.68 114.72 1ngm s LEU 80 Ca 0.76 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 1ngm s LEU 80 Cb -0.33 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1ngm s LEU 80 CO 0.36 -0.05 1.55 -0.62 0.23 0.00 0.00 176.35 177.82 1ngm s ASP 81 N 1.17 5.75 0.50 2.29 -1.08 -1.26 -4.47 116.67 119.57 1ngm s ASP 81 Ca -0.06 -0.06 0.21 0.00 -0.52 0.00 0.00 52.55 52.13 1ngm s ASP 81 Cb -0.14 -2.55 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 1ngm s ASP 81 CO -0.02 -2.08 2.08 -0.07 0.52 0.00 0.00 175.17 175.61 1ngm h LEU 82 N 14.59 0.00 -0.23 -1.34 4.07 -1.95 -2.33 115.31 128.12 1ngm h LEU 82 Ca -0.27 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 1ngm h LEU 82 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1ngm h LEU 82 CO 1.25 0.11 0.02 0.50 -1.08 0.00 0.00 178.44 179.24 1ngm h LYS 83 N 0.00 0.39 0.41 1.13 3.64 -1.99 -3.22 116.57 116.92 1ngm h LYS 83 Ca -0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1ngm h LYS 83 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1ngm h LYS 83 CO 0.01 0.54 -0.39 1.15 -2.27 0.00 0.00 179.45 178.50 1ngm h THR 84 N 0.18 0.21 0.00 1.00 2.02 -1.83 -2.63 112.91 111.86 1ngm h THR 84 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1ngm h THR 84 Cb 0.35 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ngm h THR 84 CO 0.01 0.00 -0.06 -0.37 0.37 0.00 0.00 175.52 175.47 1ngm h VAL 85 N -0.81 0.22 0.09 3.16 -1.51 -1.65 -1.55 116.25 114.21 1ngm h VAL 85 Ca -0.04 -0.44 -0.29 0.00 -1.23 0.00 0.00 66.70 64.70 1ngm h VAL 85 Cb 0.72 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1ngm h VAL 85 CO -0.05 0.06 -1.45 0.00 -1.23 0.00 0.00 177.57 174.90 1ngm h ALA 86 N 1.94 0.31 -0.19 5.19 0.00 -1.56 -3.13 119.26 121.82 1ngm h ALA 86 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1ngm h ALA 86 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ngm h ALA 86 CO 0.01 1.18 0.00 1.28 0.00 0.00 0.00 179.25 181.71 1ngm n LEU 87 N -3.41 1.14 0.00 0.00 4.77 -0.65 -3.57 117.00 115.28 1ngm n LEU 87 Ca -0.13 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1ngm n LEU 87 Cb 1.03 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1ngm n LEU 87 CO 0.50 0.27 0.17 1.41 -1.33 0.00 0.00 177.39 178.40 1ngm n HIS 88 N 0.07 0.00 -3.89 -1.77 8.25 -0.82 -5.03 115.22 112.04 1ngm n HIS 88 Ca 0.07 -0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1ngm n HIS 88 Cb 0.19 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.13 1ngm n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngm s ALA 89 N -0.11 1.36 0.14 -1.41 0.00 -1.18 -4.99 121.76 115.57 1ngm s ALA 89 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 1ngm s ALA 89 Cb 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.17 1ngm s ALA 89 CO 0.00 -0.56 1.19 -2.13 0.00 0.00 0.00 175.76 174.25 1ngm n ARG 90 N 4.93 -0.28 -3.72 0.00 3.00 -1.26 -2.22 116.66 117.10 1ngm n ARG 90 Ca -0.12 1.17 -0.32 0.00 -0.00 0.00 0.00 57.85 58.58 1ngm n ARG 90 Cb 0.49 -1.72 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 1ngm n ARG 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ngm n ASN 91 N -5.03 3.74 0.00 6.15 3.02 -1.26 -4.77 115.26 117.11 1ngm n ASN 91 Ca 0.04 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1ngm n ASN 91 Cb 0.24 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1ngm n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngm n ALA 92 N 2.04 1.11 0.00 5.41 0.00 -0.94 -3.91 120.51 124.22 1ngm n ALA 92 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ngm n ALA 92 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1ngm n ALA 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ngm n GLU 93 N -0.01 0.00 -4.27 0.00 0.00 -1.23 -3.90 120.64 111.23 1ngm n GLU 93 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1ngm n GLU 93 Cb 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.41 1ngm n GLU 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ngm s TYR 94 N 0.00 2.51 -0.34 -1.84 5.04 -1.26 -3.24 117.35 118.22 1ngm s TYR 94 Ca 0.00 -1.39 0.01 0.00 -2.44 0.00 0.00 57.07 53.25 1ngm s TYR 94 Cb 0.00 -1.76 0.11 0.00 0.35 0.00 0.00 41.96 40.66 1ngm s TYR 94 CO 0.00 -0.69 0.11 0.54 -1.34 0.00 0.00 175.55 174.17 1ngm s ASN 95 N 1.19 4.23 0.20 4.32 2.20 -1.26 -5.02 114.94 120.80 1ngm s ASN 95 Ca 0.01 -1.98 0.09 0.00 -0.94 0.00 0.00 52.86 50.04 1ngm s ASN 95 Cb -0.14 -1.16 0.06 0.00 -2.00 0.00 0.00 41.25 38.02 1ngm s ASN 95 CO -0.08 -0.38 1.44 1.55 -2.94 0.00 0.00 177.10 176.68 1ngm h PRO 96 N 7.70 0.00 0.00 3.55 0.14 -1.90 -1.37 132.00 140.13 1ngm h PRO 96 Ca -0.09 0.00 -0.06 0.00 0.14 0.00 0.00 66.00 65.99 1ngm h PRO 96 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.13 1ngm h PRO 96 CO 0.50 0.80 -0.29 -0.22 0.14 0.00 0.00 178.00 178.92 1ngm h LYS 97 N 0.00 0.00 0.00 0.86 3.11 -2.01 -3.31 116.57 115.22 1ngm h LYS 97 Ca -0.01 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 1ngm h LYS 97 Cb 1.45 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.66 1ngm h LYS 97 CO 0.10 0.29 -1.75 2.89 -2.81 0.00 0.00 179.45 178.18 1ngm n ARG 98 N -3.54 0.99 -3.67 1.90 1.85 -1.20 -5.04 116.66 107.95 1ngm n ARG 98 Ca -0.00 -0.08 -0.15 0.00 -1.00 0.00 0.00 57.85 56.62 1ngm n ARG 98 Cb 0.44 -1.34 -0.08 0.00 -1.05 0.00 0.00 32.46 30.43 1ngm n ARG 98 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1ngm s PHE 99 N -2.72 -0.40 -1.89 2.89 5.36 -0.52 -5.06 117.98 115.64 1ngm s PHE 99 Ca -0.06 0.75 0.15 0.00 -0.96 0.00 0.00 56.93 56.82 1ngm s PHE 99 Cb 0.07 0.21 0.46 0.00 -0.34 0.00 0.00 43.02 43.42 1ngm s PHE 99 CO 0.57 -0.43 1.37 0.00 -1.46 0.00 0.00 175.22 175.27 1ngm n ALA 100 N 1.47 2.50 -2.52 11.12 0.00 -1.26 -3.72 120.51 128.10 1ngm n ALA 100 Ca -0.19 -0.92 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1ngm n ALA 100 Cb 0.56 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.39 2.83 -0.43 0.00 0.00 -1.26 -4.36 121.76 117.15 1ngm s ALA 101 Ca 0.34 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 1ngm s ALA 101 Cb 0.18 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1ngm s ALA 101 CO 0.22 -0.29 0.41 0.08 0.00 0.00 0.00 175.76 176.19 1ngm s VAL 102 N -3.20 5.13 -0.42 0.00 1.01 0.72 -4.42 120.40 119.22 1ngm s VAL 102 Ca 0.27 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1ngm s VAL 102 Cb 0.05 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1ngm s VAL 102 CO 0.14 -0.45 0.91 -0.63 0.00 0.00 0.00 175.10 175.07 1ngm s ILE 103 N 2.00 4.53 -0.16 2.22 1.01 -1.20 0.08 121.20 129.68 1ngm s ILE 103 Ca 0.10 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 61.61 1ngm s ILE 103 Cb -0.19 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 37.97 1ngm s ILE 103 CO 0.12 -0.70 0.10 -0.32 0.00 0.00 0.00 174.94 174.14 1ngm s MET 104 N 3.60 0.06 -0.21 2.79 1.75 -0.90 -3.47 119.30 122.92 1ngm s MET 104 Ca 0.37 -0.00 -0.15 0.00 -1.25 0.00 0.00 55.69 54.66 1ngm s MET 104 Cb -0.11 -1.64 -0.04 0.00 2.84 0.00 0.00 34.83 35.88 1ngm s MET 104 CO 0.23 -0.64 0.34 -0.98 -0.65 0.00 0.00 175.02 173.33 1ngm s ARG 105 N 2.16 4.14 -0.01 4.11 1.70 -1.25 -2.99 118.95 126.82 1ngm s ARG 105 Ca 0.03 0.09 -0.16 0.00 -0.47 0.00 0.00 55.73 55.22 1ngm s ARG 105 Cb -0.16 -3.54 -0.06 0.00 -0.57 0.00 0.00 34.95 30.63 1ngm s ARG 105 CO -0.09 -0.03 0.44 -1.50 -1.08 0.00 0.00 175.30 173.05 1ngm s ILE 106 N 1.28 5.00 -0.35 4.99 -1.16 -1.17 -4.94 121.20 124.85 1ngm s ILE 106 Ca 0.16 0.92 0.22 0.00 -0.51 0.00 0.00 60.65 61.45 1ngm s ILE 106 Cb -0.14 -3.76 0.21 0.00 0.61 0.00 0.00 42.46 39.37 1ngm s ILE 106 CO 0.07 0.54 1.40 -0.09 -2.81 0.00 0.00 174.94 174.05 1ngm h ARG 107 N 4.98 0.00 -2.88 3.50 2.43 -1.95 -2.46 114.38 118.00 1ngm h ARG 107 Ca -0.50 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.28 1ngm h ARG 107 Cb 1.21 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.38 1ngm h ARG 107 CO 0.64 0.02 -0.70 -1.21 -1.51 0.00 0.00 179.97 177.21 1ngm s GLU 108 N -3.25 0.10 -0.02 0.20 2.02 -1.26 -1.19 118.70 115.30 1ngm s GLU 108 Ca 0.04 0.09 -0.27 0.00 0.02 0.00 0.00 54.97 54.85 1ngm s GLU 108 Cb 0.07 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.82 1ngm s GLU 108 CO 0.72 -0.62 0.85 -2.14 0.02 0.00 0.00 175.26 174.08 1ngm s PRO 109 N 2.22 4.51 -0.39 0.39 0.02 -1.26 -4.92 135.00 135.56 1ngm s PRO 109 Ca 0.04 1.17 -0.42 0.00 0.02 0.00 0.00 61.00 61.80 1ngm s PRO 109 Cb -0.15 -3.45 -0.18 0.00 0.02 0.00 0.00 34.50 30.73 1ngm s PRO 109 CO -0.10 0.03 1.40 1.17 -0.33 0.00 0.00 177.00 179.18 1ngm n LYS 110 N 3.74 0.00 -3.65 5.54 0.00 -0.33 -4.87 118.16 118.60 1ngm n LYS 110 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.28 1ngm n LYS 110 Cb 0.51 -1.39 -0.02 0.00 0.00 0.00 0.00 35.03 34.14 1ngm n LYS 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1ngm s THR 111 N 2.35 0.00 -0.06 3.15 -4.23 -0.93 -4.48 115.64 111.44 1ngm s THR 111 Ca 0.95 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1ngm s THR 111 Cb -1.35 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1ngm s THR 111 CO 0.72 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.74 1ngm s THR 112 N -3.13 1.46 -0.10 3.99 2.01 -1.11 -3.04 115.64 115.72 1ngm s THR 112 Ca 0.10 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1ngm s THR 112 Cb -0.01 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1ngm s THR 112 CO -0.03 0.43 -0.10 0.00 -0.69 0.00 0.00 174.62 174.23 1ngm s ALA 113 N 0.34 1.38 0.16 7.40 0.00 -1.16 -1.42 121.76 128.47 1ngm s ALA 113 Ca -0.11 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 1ngm s ALA 113 Cb -0.15 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 1ngm s ALA 113 CO 0.04 -0.21 0.70 -0.51 0.00 0.00 0.00 175.76 175.78 1ngm s LEU 114 N 1.29 4.48 -0.17 0.00 1.43 -1.10 -2.13 118.68 122.48 1ngm s LEU 114 Ca -0.02 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1ngm s LEU 114 Cb -0.14 -3.30 0.05 0.00 0.03 0.00 0.00 46.19 42.83 1ngm s LEU 114 CO -0.04 0.16 -0.02 -0.63 0.23 0.00 0.00 176.35 176.05 1ngm s ILE 115 N -1.28 0.92 0.38 -0.59 1.09 0.11 -1.92 121.20 119.92 1ngm s ILE 115 Ca 0.37 -0.60 -0.01 0.00 -1.10 0.00 0.00 60.65 59.31 1ngm s ILE 115 Cb -0.20 -1.20 -0.03 0.00 -1.06 0.00 0.00 42.46 39.98 1ngm s ILE 115 CO 0.22 0.03 0.61 -0.36 -0.10 0.00 0.00 174.94 175.34 1ngm s PHE 116 N 1.70 3.50 0.44 3.97 0.40 -1.12 0.26 117.98 127.14 1ngm s PHE 116 Ca -0.00 0.46 0.13 0.00 -0.60 0.00 0.00 56.93 56.92 1ngm s PHE 116 Cb -0.16 -2.01 1.04 0.00 0.51 0.00 0.00 43.02 42.40 1ngm s PHE 116 CO -0.07 0.00 2.01 0.00 0.70 0.00 0.00 175.22 177.86 1ngm h ALA 117 N 0.61 1.98 -0.99 5.36 0.00 -1.78 -2.65 119.26 121.78 1ngm h ALA 117 Ca -0.49 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.51 1ngm h ALA 117 Cb 1.22 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1ngm h ALA 117 CO 0.61 -0.08 0.63 0.66 0.00 0.00 0.00 179.25 181.07 1ngm h SER 118 N 0.37 0.95 0.00 0.00 4.64 -1.88 0.81 113.55 118.45 1ngm h SER 118 Ca 0.22 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ngm h SER 118 Cb 0.40 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ngm h SER 118 CO -0.05 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1ngm n GLY 119 N -1.35 1.37 2.83 -0.77 0.00 -1.00 -3.54 105.19 102.73 1ngm n GLY 119 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1ngm n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 120 N -0.07 0.73 0.27 1.61 -0.14 -1.25 -0.99 119.74 119.89 1ngm s LYS 120 Ca 0.00 -0.00 0.11 0.00 -1.36 0.00 0.00 55.97 54.72 1ngm s LYS 120 Cb 0.00 -0.91 -0.05 0.00 -1.68 0.00 0.00 37.83 35.19 1ngm s LYS 120 CO 0.00 -0.19 -0.14 0.00 -0.76 0.00 0.00 175.35 174.26 1ngm s MET 121 N 1.44 1.88 -0.08 1.68 0.23 -0.79 -2.78 119.30 120.89 1ngm s MET 121 Ca -0.03 -1.63 0.04 0.00 -1.03 0.00 0.00 55.69 53.05 1ngm s MET 121 Cb -0.13 -1.91 -0.00 0.00 -1.53 0.00 0.00 34.83 31.25 1ngm s MET 121 CO -0.03 0.35 -0.21 0.14 -2.03 0.00 0.00 175.02 173.24 1ngm s VAL 122 N -2.37 1.83 -0.49 5.16 -7.23 -0.81 -1.65 120.40 114.85 1ngm s VAL 122 Ca 0.30 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1ngm s VAL 122 Cb -0.06 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.41 1ngm s VAL 122 CO 0.16 0.51 0.39 -0.69 -0.31 0.00 0.00 175.10 175.16 1ngm s VAL 123 N 0.25 4.71 0.49 1.32 1.01 -0.26 -2.73 120.40 125.20 1ngm s VAL 123 Ca -0.13 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.41 1ngm s VAL 123 Cb -0.16 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.25 1ngm s VAL 123 CO 0.06 -0.73 0.45 0.42 0.00 0.00 0.00 175.10 175.30 1ngm s THR 124 N 1.50 2.19 0.00 3.92 -4.23 -0.50 -1.02 115.64 117.49 1ngm s THR 124 Ca 0.04 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1ngm s THR 124 Cb -0.27 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1ngm s THR 124 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1ngm n GLY 125 N -1.73 1.85 3.77 3.99 0.00 -1.24 -2.77 105.19 109.06 1ngm n GLY 125 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1ngm n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 126 N -3.18 3.46 -0.08 4.61 0.00 -1.24 -4.65 121.76 120.69 1ngm s ALA 126 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1ngm s ALA 126 Cb 0.00 -2.85 -0.29 0.00 0.00 0.00 0.00 23.12 19.99 1ngm s ALA 126 CO 0.00 0.20 0.58 0.87 0.00 0.00 0.00 175.76 177.41 1ngm h LYS 127 N 5.18 0.33 -6.38 0.00 6.56 -1.87 1.36 116.57 121.74 1ngm h LYS 127 Ca -0.46 -0.56 -0.61 0.00 -1.06 0.00 0.00 60.65 57.96 1ngm h LYS 127 Cb 1.21 0.21 -0.14 0.00 -0.57 0.00 0.00 32.23 32.94 1ngm h LYS 127 CO 0.68 1.27 -0.73 0.45 -2.06 0.00 0.00 179.45 179.06 1ngm s SER 128 N -7.17 4.11 -0.01 0.86 0.15 -1.26 -4.38 113.70 105.99 1ngm s SER 128 Ca -0.18 -0.70 -0.20 0.00 0.70 0.00 0.00 55.95 55.57 1ngm s SER 128 Cb 0.05 -0.62 -0.25 0.00 -1.71 0.00 0.00 66.02 63.49 1ngm s SER 128 CO 0.81 0.07 1.06 -0.33 1.20 0.00 0.00 173.24 176.06 1ngm h GLU 129 N 2.64 0.38 0.00 5.44 3.07 -1.98 0.15 114.58 124.28 1ngm h GLU 129 Ca -0.45 -0.43 -0.02 0.00 -0.50 0.00 0.00 59.36 57.96 1ngm h GLU 129 Cb 1.22 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1ngm h GLU 129 CO 0.55 1.11 -0.10 0.38 -1.40 0.00 0.00 179.01 179.55 1ngm h ASP 130 N -0.17 0.00 -0.38 1.42 -0.00 -1.98 0.41 116.42 115.73 1ngm h ASP 130 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.91 1ngm h ASP 130 Cb 1.34 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.65 1ngm h ASP 130 CO 0.12 0.10 0.09 -0.78 -0.00 0.00 0.00 179.24 178.77 1ngm h ASP 131 N 0.00 0.58 0.56 4.15 3.58 -1.94 1.12 116.42 124.47 1ngm h ASP 131 Ca -0.00 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.10 1ngm h ASP 131 Cb 0.66 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1ngm h ASP 131 CO 0.01 0.66 -0.53 0.77 -2.88 0.00 0.00 179.24 177.28 1ngm h SER 132 N 0.46 0.00 -0.05 2.28 4.64 0.01 0.74 113.55 121.64 1ngm h SER 132 Ca 0.12 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 1ngm h SER 132 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1ngm h SER 132 CO 0.00 0.53 -0.33 0.50 -0.87 0.00 0.00 176.83 176.66 1ngm h LYS 133 N 0.00 0.30 -0.18 4.77 3.64 0.03 0.15 116.57 125.28 1ngm h LYS 133 Ca -0.01 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1ngm h LYS 133 Cb 0.95 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1ngm h LYS 133 CO 0.07 0.93 0.06 1.25 -2.27 0.00 0.00 179.45 179.49 1ngm h LEU 134 N -0.23 0.07 0.39 5.20 6.46 0.13 0.07 115.31 127.40 1ngm h LEU 134 Ca -0.03 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1ngm h LEU 134 Cb 1.01 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1ngm h LEU 134 CO 0.07 0.06 -0.19 0.00 -0.62 0.00 0.00 178.44 177.77 1ngm h ALA 135 N 1.11 -0.52 -0.78 1.25 0.00 -0.91 0.18 119.26 119.59 1ngm h ALA 135 Ca 0.08 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1ngm h ALA 135 Cb 0.05 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 1ngm h ALA 135 CO -0.08 -0.79 -0.33 0.77 0.00 0.00 0.00 179.25 178.82 1ngm h SER 136 N -0.53 -1.18 0.18 0.00 0.02 -0.62 0.33 113.55 111.76 1ngm h SER 136 Ca -0.05 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ngm h SER 136 Cb 0.41 0.63 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1ngm h SER 136 CO 0.09 -0.29 -0.08 0.03 -1.14 0.00 0.00 176.83 175.43 1ngm h ARG 137 N -0.07 -0.23 -0.96 3.45 3.08 -0.74 0.31 114.38 119.22 1ngm h ARG 137 Ca 0.31 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.50 1ngm h ARG 137 Cb 0.58 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 1ngm h ARG 137 CO -0.83 -0.14 0.61 0.87 -1.07 0.00 0.00 179.97 179.42 1ngm h LYS 138 N -0.25 0.88 0.32 0.04 1.57 0.28 0.37 116.57 119.77 1ngm h LYS 138 Ca -0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ngm h LYS 138 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ngm h LYS 138 CO 0.04 0.58 -0.15 1.88 -0.57 0.00 0.00 179.45 181.23 1ngm h TYR 139 N 0.91 -0.40 0.00 -1.35 0.05 0.04 -1.78 116.97 114.43 1ngm h TYR 139 Ca 0.48 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1ngm h TYR 139 Cb 0.54 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1ngm h TYR 139 CO -0.00 -0.17 0.03 0.00 -1.05 0.00 0.00 178.16 176.96 1ngm n ALA 140 N -2.34 0.97 -0.05 3.88 0.00 0.06 -1.81 120.51 121.22 1ngm n ALA 140 Ca -0.10 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1ngm n ALA 140 Cb 0.22 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.69 0.68 -0.27 0.00 3.00 0.01 -3.25 116.66 115.13 1ngm n ARG 141 Ca -0.00 0.36 0.05 0.00 -0.00 0.00 0.00 57.85 58.25 1ngm n ARG 141 Cb 0.03 -1.69 0.14 0.00 0.00 0.00 0.00 32.46 30.95 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 -0.35 0.26 -0.35 5.15 1.08 -0.55 0.10 117.51 122.85 1ngm h ILE 142 Ca -0.43 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1ngm h ILE 142 Cb 1.76 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1ngm h ILE 142 CO -0.06 0.01 0.02 0.40 -0.69 0.00 0.00 178.15 177.84 1ngm h ILE 143 N 0.05 1.25 -0.65 -0.67 2.04 -1.72 -2.17 117.51 115.64 1ngm h ILE 143 Ca 0.42 -0.91 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1ngm h ILE 143 Cb 0.71 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 1ngm h ILE 143 CO -0.75 0.30 0.21 -0.61 0.00 0.00 0.00 178.15 177.31 1ngm h GLN 144 N 0.42 0.35 0.00 2.37 4.15 -0.99 -2.12 115.11 119.29 1ngm h GLN 144 Ca 0.10 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1ngm h GLN 144 Cb 0.41 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1ngm h GLN 144 CO 0.01 0.23 -0.30 0.87 -1.93 0.00 0.00 178.83 177.71 1ngm h LYS 145 N 0.36 0.00 0.02 1.69 1.57 -0.72 -3.27 116.57 116.23 1ngm h LYS 145 Ca 0.34 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.89 1ngm h LYS 145 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ngm h LYS 145 CO -0.37 0.30 -0.99 0.82 -0.57 0.00 0.00 179.45 178.64 1ngm h ILE 146 N 0.00 1.41 0.00 1.86 2.04 -0.73 -3.48 117.51 118.61 1ngm h ILE 146 Ca -0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1ngm h ILE 146 Cb 1.00 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1ngm h ILE 146 CO 0.04 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1ngm n GLY 147 N 1.04 1.82 3.70 5.37 0.00 -1.05 -5.11 105.19 110.96 1ngm n GLY 147 Ca -0.07 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 2.83 0.00 1.61 0.40 -1.18 -4.97 117.98 116.68 1ngm s PHE 148 Ca 0.00 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1ngm s PHE 148 Cb 0.00 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.70 1ngm s PHE 148 CO 0.00 -3.14 0.65 0.00 0.70 0.00 0.00 175.22 173.43 1ngm n ALA 149 N 4.83 -0.11 -1.57 5.36 0.00 -1.26 -3.30 120.51 124.46 1ngm n ALA 149 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ngm n ALA 149 Cb 0.41 0.10 0.00 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 -1.16 -1.94 -2.49 0.00 0.00 -1.26 -4.28 120.51 109.37 1ngm n ALA 150 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 1ngm n ALA 150 Cb 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 1ngm n ALA 150 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ngm s LYS 151 N -4.04 1.70 -0.83 0.00 1.02 -0.31 -4.89 119.74 112.39 1ngm s LYS 151 Ca 0.00 -1.86 -0.18 0.00 0.02 0.00 0.00 55.97 53.95 1ngm s LYS 151 Cb 0.00 -1.49 0.14 0.00 -0.52 0.00 0.00 37.83 35.96 1ngm s LYS 151 CO 0.00 0.12 0.96 0.12 -0.92 0.00 0.00 175.35 175.63 1ngm s PHE 152 N -2.76 3.21 0.07 3.18 2.19 -1.26 -4.24 117.98 118.37 1ngm s PHE 152 Ca 0.31 -1.39 0.04 0.00 0.33 0.00 0.00 56.93 56.22 1ngm s PHE 152 Cb 0.02 -4.13 -0.03 0.00 -1.31 0.00 0.00 43.02 37.57 1ngm s PHE 152 CO 0.14 -1.35 -0.12 0.99 1.83 0.00 0.00 175.22 176.71 1ngm s THR 153 N 2.21 0.99 -1.08 0.12 2.01 -1.03 -4.92 115.64 113.94 1ngm s THR 153 Ca 0.25 -1.35 -0.03 0.00 0.31 0.00 0.00 61.69 60.87 1ngm s THR 153 Cb -0.10 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1ngm s THR 153 CO -0.05 -0.32 0.92 0.47 -0.69 0.00 0.00 174.62 174.95 1ngm n ASP 154 N 1.14 -4.32 -4.77 3.53 9.92 -1.26 -0.38 116.55 120.41 1ngm n ASP 154 Ca -0.20 -0.64 -0.38 0.00 -0.53 0.00 0.00 54.79 53.04 1ngm n ASP 154 Cb 0.55 -4.99 -0.03 0.00 -0.64 0.00 0.00 41.12 36.01 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 -3.36 3.15 -0.30 1.24 5.36 -1.26 -4.11 117.98 118.69 1ngm s PHE 155 Ca 0.23 1.58 -0.15 0.00 -0.96 0.00 0.00 56.93 57.63 1ngm s PHE 155 Cb -0.03 -3.34 0.17 0.00 -0.34 0.00 0.00 43.02 39.48 1ngm s PHE 155 CO 0.71 -1.14 1.12 0.21 -1.46 0.00 0.00 175.22 174.65 1ngm s LYS 156 N -2.25 0.13 -0.10 10.12 2.20 -1.19 -5.03 119.74 123.61 1ngm s LYS 156 Ca 0.56 0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 56.14 1ngm s LYS 156 Cb -0.29 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.12 1ngm s LYS 156 CO 0.37 -0.14 0.80 0.42 -0.36 0.00 0.00 175.35 176.44 1ngm s ILE 157 N 2.97 4.95 -0.54 5.43 1.01 -1.26 -2.01 121.20 131.74 1ngm s ILE 157 Ca -0.04 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.28 1ngm s ILE 157 Cb -0.09 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1ngm s ILE 157 CO -0.10 0.14 0.67 0.00 0.00 0.00 0.00 174.94 175.65 1ngm n GLN 158 N 4.46 -0.18 -3.20 2.79 1.13 0.06 -4.78 117.38 117.66 1ngm n GLN 158 Ca 0.02 -0.82 0.00 0.00 -1.94 0.00 0.00 57.00 54.26 1ngm n GLN 158 Cb 0.50 -1.09 -0.02 0.00 0.11 0.00 0.00 30.24 29.74 1ngm n GLN 158 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ngm s ASN 159 N -0.41 -0.98 -0.62 1.08 3.04 -0.94 -4.57 114.94 111.55 1ngm s ASN 159 Ca 0.05 0.38 0.06 0.00 0.04 0.00 0.00 52.86 53.39 1ngm s ASN 159 Cb 0.04 1.82 0.25 0.00 -1.54 0.00 0.00 41.25 41.81 1ngm s ASN 159 CO 0.06 -0.29 0.71 -0.38 -3.04 0.00 0.00 177.10 174.16 1ngm n ILE 160 N 5.41 2.05 -1.73 -5.21 5.41 0.10 0.65 119.36 126.03 1ngm n ILE 160 Ca 0.01 -5.09 -0.42 0.00 1.00 0.00 0.00 62.75 58.25 1ngm n ILE 160 Cb 0.52 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.33 1ngm n ILE 160 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ngm s VAL 161 N -2.30 2.01 0.22 1.39 1.01 0.91 -4.70 120.40 118.93 1ngm s VAL 161 Ca 0.39 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1ngm s VAL 161 Cb 0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ngm s VAL 161 CO -0.03 0.00 -0.04 -0.83 0.00 0.00 0.00 175.10 174.20 1ngm s GLY 162 N 1.02 1.70 -0.28 4.51 0.00 0.49 -0.82 107.32 113.94 1ngm s GLY 162 Ca 0.72 -1.53 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1ngm s GLY 162 CO 0.36 -1.57 0.61 -0.45 0.00 0.00 0.00 173.10 172.05 1ngm s SER 163 N -3.21 -0.97 0.37 1.64 0.15 -0.90 -0.29 113.70 110.49 1ngm s SER 163 Ca 0.28 1.46 0.06 0.00 0.70 0.00 0.00 55.95 58.45 1ngm s SER 163 Cb -0.08 2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 66.26 1ngm s SER 163 CO 0.18 -0.22 0.22 0.00 1.20 0.00 0.00 173.24 174.61 1ngm s ASP 165 N -3.48 3.10 0.33 0.00 2.15 -1.26 0.56 116.67 118.07 1ngm s ASP 165 Ca 0.33 -0.83 0.24 0.00 0.43 0.00 0.00 52.55 52.71 1ngm s ASP 165 Cb 0.02 -0.89 0.44 0.00 -0.30 0.00 0.00 42.92 42.20 1ngm s ASP 165 CO 0.22 -0.23 1.59 -0.37 -0.17 0.00 0.00 175.17 176.20 1ngm h VAL 166 N 6.50 0.00 -2.65 1.11 -1.51 -1.93 -3.49 116.25 114.28 1ngm h VAL 166 Ca -0.20 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.36 1ngm h VAL 166 Cb 1.10 1.75 0.04 0.00 -2.13 0.00 0.00 31.29 32.05 1ngm h VAL 166 CO 0.38 0.00 -0.18 0.29 -1.23 0.00 0.00 177.57 176.83 1ngm n LYS 167 N -2.76 -1.71 -3.53 5.19 4.76 -1.26 -5.06 118.16 113.79 1ngm n LYS 167 Ca 0.04 0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.58 1ngm n LYS 167 Cb 0.50 -3.31 -0.03 0.00 -1.84 0.00 0.00 35.03 30.34 1ngm n LYS 167 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1ngm s PHE 168 N -3.08 -0.39 0.35 2.13 -0.12 -1.26 -5.09 117.98 110.52 1ngm s PHE 168 Ca 0.05 0.45 -0.27 0.00 -0.05 0.00 0.00 56.93 57.10 1ngm s PHE 168 Cb -0.02 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.77 1ngm s PHE 168 CO 0.18 -0.50 1.20 -2.14 -0.05 0.00 0.00 175.22 173.91 1ngm s PRO 169 N -2.28 4.29 -0.06 1.99 0.02 -1.26 -3.49 135.00 134.20 1ngm s PRO 169 Ca 0.01 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.03 1ngm s PRO 169 Cb -0.01 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.57 1ngm s PRO 169 CO -0.04 -0.15 -0.19 0.42 -0.33 0.00 0.00 177.00 176.71 1ngm s ILE 170 N -1.26 2.58 -0.66 2.83 1.01 0.16 -0.23 121.20 125.62 1ngm s ILE 170 Ca 0.51 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 1ngm s ILE 170 Cb -0.34 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1ngm s ILE 170 CO 0.44 0.57 1.29 -0.60 0.00 0.00 0.00 174.94 176.64 1ngm s ARG 171 N -0.31 3.29 -0.01 2.79 3.52 -0.13 -4.71 118.95 123.38 1ngm s ARG 171 Ca 0.02 0.03 -0.08 0.00 -0.13 0.00 0.00 55.73 55.56 1ngm s ARG 171 Cb -0.13 -4.13 -0.30 0.00 -1.56 0.00 0.00 34.95 28.83 1ngm s ARG 171 CO 0.02 -2.00 0.82 -0.07 -0.81 0.00 0.00 175.30 173.27 1ngm h LEU 172 N 12.82 0.56 0.11 -0.88 3.38 -1.94 -2.92 115.31 126.43 1ngm h LEU 172 Ca -0.27 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 56.96 1ngm h LEU 172 Cb 1.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1ngm h LEU 172 CO 1.24 1.62 -0.45 -0.08 0.09 0.00 0.00 178.44 180.86 1ngm h GLU 173 N 0.10 -0.62 -0.65 1.13 4.81 -2.00 0.19 114.58 117.54 1ngm h GLU 173 Ca -0.28 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1ngm h GLU 173 Cb 2.08 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 31.56 1ngm h GLU 173 CO 0.19 -0.41 0.43 0.78 -0.73 0.00 0.00 179.01 179.26 1ngm h GLY 174 N -0.65 0.88 0.77 1.92 0.00 -1.98 -2.76 103.07 101.26 1ngm h GLY 174 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ngm h GLY 174 CO -0.24 0.27 -0.05 -2.00 0.00 0.00 0.00 176.54 174.52 1ngm h LEU 175 N 0.78 -0.11 -1.38 3.11 6.46 -1.24 -2.77 115.31 120.15 1ngm h LEU 175 Ca 0.26 -0.20 0.31 0.00 -0.12 0.00 0.00 57.88 58.13 1ngm h LEU 175 Cb 0.06 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 1ngm h LEU 175 CO -0.07 0.14 1.10 0.00 -0.62 0.00 0.00 178.44 178.98 1ngm h ALA 176 N 0.52 2.95 0.00 1.25 0.00 -0.33 -2.03 119.26 121.62 1ngm h ALA 176 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ngm h ALA 176 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ngm h ALA 176 CO 0.02 -1.64 -0.16 0.35 0.00 0.00 0.00 179.25 177.82 1ngm h PHE 177 N 0.00 0.00 -0.80 0.00 3.57 -1.55 -3.35 116.94 114.81 1ngm h PHE 177 Ca 0.50 0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.12 1ngm h PHE 177 Cb 2.69 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 41.30 1ngm h PHE 177 CO 0.00 0.00 -0.42 1.03 -2.23 0.00 0.00 178.31 176.69 1ngm h SER 178 N -0.49 -1.49 -1.90 0.41 0.87 -1.19 -1.79 113.55 107.97 1ngm h SER 178 Ca 0.00 0.28 -0.67 0.00 -1.23 0.00 0.00 61.79 60.17 1ngm h SER 178 Cb 0.16 0.72 -0.36 0.00 -0.44 0.00 0.00 62.40 62.48 1ngm h SER 178 CO 0.00 -0.30 0.03 1.41 -0.53 0.00 0.00 176.83 177.44 1ngm n HIS 179 N -5.42 3.34 1.26 2.24 8.25 -1.21 -4.84 115.22 118.84 1ngm n HIS 179 Ca 0.06 -3.00 0.03 0.00 -0.26 0.00 0.00 57.72 54.55 1ngm n HIS 179 Cb 0.36 -0.62 0.09 0.00 1.12 0.00 0.00 29.99 30.94 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 -0.39 0.17 0.21 -1.41 0.00 -0.67 -3.12 105.19 99.98 1ngm n GLY 180 Ca 0.43 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.37 1ngm n GLY 180 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ngm h THR 181 N 1.16 0.00 0.00 2.61 2.02 -1.88 -3.37 112.91 113.45 1ngm h THR 181 Ca 0.00 -0.52 -0.19 0.00 0.77 0.00 0.00 66.41 66.47 1ngm h THR 181 Cb 0.34 1.45 -0.14 0.00 -1.74 0.00 0.00 68.15 68.07 1ngm h THR 181 CO 0.02 0.00 -0.40 2.22 0.37 0.00 0.00 175.52 177.73 1ngm n PHE 182 N -2.79 -2.78 -3.47 3.16 -1.74 -1.18 -5.09 117.46 103.56 1ngm n PHE 182 Ca 0.02 -1.56 -0.26 0.00 -0.56 0.00 0.00 57.45 55.09 1ngm n PHE 182 Cb 0.34 1.48 -0.12 0.00 1.52 0.00 0.00 39.48 42.69 1ngm n PHE 182 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1ngm s SER 183 N -1.40 2.79 0.06 5.98 0.01 -1.22 -3.69 113.70 116.23 1ngm s SER 183 Ca 0.30 -1.60 -0.28 0.00 1.31 0.00 0.00 55.95 55.68 1ngm s SER 183 Cb 0.23 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 1ngm s SER 183 CO -0.21 -0.36 0.89 -0.44 0.41 0.00 0.00 173.24 173.52 1ngm s SER 184 N 1.66 7.35 -0.29 2.44 0.01 0.16 -4.86 113.70 120.16 1ngm s SER 184 Ca 0.13 1.62 -0.01 0.00 1.31 0.00 0.00 55.95 59.00 1ngm s SER 184 Cb -0.18 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.69 1ngm s SER 184 CO -0.18 -0.08 0.56 -0.47 0.41 0.00 0.00 173.24 173.49 1ngm s TYR 185 N 0.20 -1.47 -0.41 2.43 5.04 -1.26 0.61 117.35 122.49 1ngm s TYR 185 Ca 0.45 1.56 0.04 0.00 -2.44 0.00 0.00 57.07 56.68 1ngm s TYR 185 Cb -0.22 0.47 0.17 0.00 0.35 0.00 0.00 41.96 42.73 1ngm s TYR 185 CO 0.27 -0.85 0.35 -1.21 -1.34 0.00 0.00 175.55 172.77 1ngm s GLU 186 N 2.80 0.88 0.51 4.97 8.01 -1.26 -5.03 118.70 129.59 1ngm s GLU 186 Ca 0.20 -1.97 0.34 0.00 0.01 0.00 0.00 54.97 53.54 1ngm s GLU 186 Cb -0.15 -1.31 1.61 0.00 -4.31 0.00 0.00 34.13 29.97 1ngm s GLU 186 CO -0.20 -1.37 2.02 -1.00 0.01 0.00 0.00 175.26 174.72 1ngm h PRO 187 N 5.72 0.00 -0.65 0.39 0.13 -1.90 -0.17 132.00 135.52 1ngm h PRO 187 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1ngm h PRO 187 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ngm h PRO 187 CO 0.34 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.50 1ngm n GLU 188 N -2.85 3.64 0.00 0.86 4.71 -1.26 -3.19 120.64 122.55 1ngm n GLU 188 Ca -0.00 -2.73 0.00 0.00 -0.01 0.00 0.00 57.16 54.41 1ngm n GLU 188 Cb 0.19 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1ngm n GLU 188 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ngm n LEU 189 N 1.07 0.56 -3.52 -4.62 0.00 -0.19 -5.06 117.00 105.24 1ngm n LEU 189 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1ngm n LEU 189 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 44.23 1ngm n LEU 189 CO 0.23 0.09 0.70 0.12 0.00 0.00 0.00 177.39 178.54 1ngm s PHE 190 N -1.87 -0.53 0.28 1.96 5.36 -0.51 -5.12 117.98 117.55 1ngm s PHE 190 Ca 0.00 0.98 -0.28 0.00 -0.96 0.00 0.00 56.93 56.67 1ngm s PHE 190 Cb 0.00 0.32 -0.09 0.00 -0.34 0.00 0.00 43.02 42.90 1ngm s PHE 190 CO 0.00 -0.26 0.95 -1.25 -1.46 0.00 0.00 175.22 173.20 1ngm s PRO 191 N 1.79 4.73 0.00 10.12 0.04 -1.19 -3.32 135.00 147.17 1ngm s PRO 191 Ca -0.06 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1ngm s PRO 191 Cb -0.04 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1ngm s PRO 191 CO -0.15 0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1ngm n GLY 192 N 1.08 3.68 3.56 0.56 0.00 -1.26 -4.96 105.19 107.84 1ngm n GLY 192 Ca -0.00 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1ngm n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ngm s LEU 193 N 0.00 3.38 -0.11 0.99 1.98 -0.45 -4.58 118.68 119.89 1ngm s LEU 193 Ca 0.00 -1.09 -0.29 0.00 -2.89 0.00 0.00 54.13 49.86 1ngm s LEU 193 Cb 0.00 -2.57 -0.06 0.00 0.66 0.00 0.00 46.19 44.23 1ngm s LEU 193 CO 0.00 -1.63 1.93 -0.63 -1.89 0.00 0.00 176.35 174.13 1ngm s ILE 194 N 5.25 3.23 -0.75 6.68 1.01 0.20 -3.48 121.20 133.34 1ngm s ILE 194 Ca 0.42 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.37 1ngm s ILE 194 Cb -0.03 -3.22 0.26 0.00 0.01 0.00 0.00 42.46 39.47 1ngm s ILE 194 CO -0.01 -0.08 0.90 0.00 0.00 0.00 0.00 174.94 175.74 1ngm n TYR 195 N 8.95 3.37 -1.64 3.97 9.36 0.54 0.36 117.16 142.07 1ngm n TYR 195 Ca 0.22 -3.83 -0.47 0.00 3.32 0.00 0.00 57.90 57.14 1ngm n TYR 195 Cb 0.43 -0.74 -0.05 0.00 -0.63 0.00 0.00 39.34 38.35 1ngm n TYR 195 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1ngm n ARG 196 N 1.08 2.10 -3.90 2.98 0.63 -1.24 -2.48 116.66 115.83 1ngm n ARG 196 Ca 0.28 0.73 -0.33 0.00 -0.92 0.00 0.00 57.85 57.61 1ngm n ARG 196 Cb 0.39 -2.76 -0.05 0.00 0.45 0.00 0.00 32.46 30.50 1ngm n ARG 196 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1ngm s MET 197 N 4.74 3.45 -0.26 -0.14 1.75 -1.21 -4.82 119.30 122.80 1ngm s MET 197 Ca 0.96 -0.34 -0.13 0.00 -1.25 0.00 0.00 55.69 54.93 1ngm s MET 197 Cb -0.63 -3.08 -0.11 0.00 2.84 0.00 0.00 34.83 33.84 1ngm s MET 197 CO 0.48 0.66 -0.34 0.28 -0.65 0.00 0.00 175.02 175.45 1ngm n VAL 198 N 0.81 1.44 -3.74 10.11 0.31 -1.26 -2.80 118.33 123.20 1ngm n VAL 198 Ca -0.10 -0.37 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 1ngm n VAL 198 Cb 0.52 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 31.45 1ngm n VAL 198 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ngm s LYS 199 N -2.48 0.73 0.93 5.55 1.02 -1.26 -2.29 119.74 121.94 1ngm s LYS 199 Ca -0.37 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 1ngm s LYS 199 Cb 0.14 -2.01 0.15 0.00 -0.52 0.00 0.00 37.83 35.59 1ngm s LYS 199 CO 0.46 -0.91 1.14 -1.25 -0.92 0.00 0.00 175.35 173.87 1ngm s PRO 200 N 1.66 0.96 -1.40 -1.68 0.04 -1.26 -5.02 135.00 128.30 1ngm s PRO 200 Ca 0.07 0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.25 1ngm s PRO 200 Cb -0.17 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1ngm s PRO 200 CO -0.22 -2.32 2.35 1.17 0.04 0.00 0.00 177.00 178.03 1ngm n LYS 201 N -3.85 2.86 -3.86 4.56 4.81 -0.97 -4.57 118.16 117.15 1ngm n LYS 201 Ca 0.07 -2.39 -0.30 0.00 -0.87 0.00 0.00 58.31 54.82 1ngm n LYS 201 Cb 0.59 -3.11 -0.15 0.00 0.02 0.00 0.00 35.03 32.38 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 3.18 1.51 0.55 3.15 -1.09 -1.12 -4.78 121.20 122.59 1ngm s ILE 202 Ca 0.53 -1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 56.87 1ngm s ILE 202 Cb 0.15 -2.13 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 1ngm s ILE 202 CO -0.06 -0.65 1.26 0.52 -1.23 0.00 0.00 174.94 174.78 1ngm n VAL 203 N 4.53 3.71 -4.25 2.92 0.31 -1.24 -3.34 118.33 120.96 1ngm n VAL 203 Ca 0.01 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.66 1ngm n VAL 203 Cb 0.42 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.71 1ngm n VAL 203 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ngm s LEU 204 N -2.95 2.41 0.00 7.52 1.43 -1.04 -3.13 118.68 122.93 1ngm s LEU 204 Ca 0.72 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1ngm s LEU 204 Cb -0.43 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1ngm s LEU 204 CO 0.49 -0.15 0.89 0.18 0.23 0.00 0.00 176.35 178.00 1ngm n LEU 205 N 0.47 1.83 0.00 1.79 4.77 -1.15 -0.34 117.00 124.37 1ngm n LEU 205 Ca -0.15 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1ngm n LEU 205 Cb 0.57 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1ngm n LEU 205 CO 0.27 0.45 0.00 -0.38 -1.33 0.00 0.00 177.39 176.41 1ngm n ILE 206 N -0.27 0.00 -3.74 -0.08 2.08 -1.23 -4.19 119.36 111.94 1ngm n ILE 206 Ca 0.01 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.04 1ngm n ILE 206 Cb 0.20 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.06 1ngm n ILE 206 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1ngm s PHE 207 N 0.00 3.48 0.15 1.39 0.08 -0.48 -1.34 117.98 121.26 1ngm s PHE 207 Ca 0.00 0.32 -0.17 0.00 0.12 0.00 0.00 56.93 57.20 1ngm s PHE 207 Cb 0.00 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1ngm s PHE 207 CO 0.00 0.41 1.80 -0.39 -0.10 0.00 0.00 175.22 176.94 1ngm h VAL 208 N 1.62 1.06 0.00 -0.44 -1.51 -1.85 -2.54 116.25 112.59 1ngm h VAL 208 Ca -0.48 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1ngm h VAL 208 Cb 1.19 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1ngm h VAL 208 CO 0.69 0.08 0.00 0.77 -1.23 0.00 0.00 177.57 177.88 1ngm h SER 209 N 0.44 0.00 0.00 4.19 4.64 -1.88 0.45 113.55 121.39 1ngm h SER 209 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ngm h SER 209 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1ngm h SER 209 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1ngm n GLY 210 N -1.13 1.67 3.62 -0.77 0.00 -0.96 -4.00 105.19 103.63 1ngm n GLY 210 Ca -0.01 -0.31 -0.48 0.00 0.00 0.00 0.00 46.02 45.21 1ngm n GLY 210 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ngm n LYS 211 N 0.00 1.57 -5.27 1.61 5.02 -1.26 -3.74 118.16 116.09 1ngm n LYS 211 Ca 0.00 0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 56.54 1ngm n LYS 211 Cb 0.00 -2.18 -0.16 0.00 -0.02 0.00 0.00 35.03 32.67 1ngm n LYS 211 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ngm s ILE 212 N 0.20 2.11 0.15 -0.18 -1.09 0.19 -1.38 121.20 121.20 1ngm s ILE 212 Ca 0.75 -1.07 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1ngm s ILE 212 Cb -0.79 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1ngm s ILE 212 CO 0.48 0.58 0.01 -0.69 -1.23 0.00 0.00 174.94 174.08 1ngm s VAL 213 N -0.45 3.83 -0.24 2.92 1.01 -1.26 -0.28 120.40 125.92 1ngm s VAL 213 Ca 0.05 -1.31 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1ngm s VAL 213 Cb -0.11 -2.90 0.11 0.00 0.00 0.00 0.00 36.38 33.47 1ngm s VAL 213 CO 0.01 -0.06 0.52 -0.76 0.00 0.00 0.00 175.10 174.80 1ngm s LEU 214 N -2.81 -0.88 0.00 3.92 1.02 0.60 -2.92 118.68 117.61 1ngm s LEU 214 Ca 0.27 1.18 -0.02 0.00 0.02 0.00 0.00 54.13 55.58 1ngm s LEU 214 Cb -0.10 1.75 0.01 0.00 0.02 0.00 0.00 46.19 47.87 1ngm s LEU 214 CO 0.19 -0.23 0.37 1.07 0.02 0.00 0.00 176.35 177.77 1ngm n THR 215 N 5.41 0.00 0.00 5.49 5.66 -1.18 0.18 114.28 129.85 1ngm n THR 215 Ca -0.09 -1.26 0.00 0.00 -3.05 0.00 0.00 64.05 59.64 1ngm n THR 215 Cb 0.49 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 1ngm n THR 215 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ngm n GLY 216 N -0.42 2.97 3.76 1.09 0.00 -1.26 -3.70 105.19 107.63 1ngm n GLY 216 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ngm n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm n ALA 217 N -0.75 1.98 -0.05 4.61 0.00 -1.26 -4.56 120.51 120.47 1ngm n ALA 217 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.63 1ngm n ALA 217 Cb 0.00 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 16.91 1ngm n ALA 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ngm n LYS 218 N -0.35 0.67 -4.41 0.00 5.02 -1.26 -0.72 118.16 117.10 1ngm n LYS 218 Ca 0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 1ngm n LYS 218 Cb 0.42 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.81 1.16 0.09 1.97 -1.52 -1.26 -4.70 119.66 112.59 1ngm s GLN 219 Ca -0.08 -1.01 -0.19 0.00 -1.95 0.00 0.00 55.36 52.13 1ngm s GLN 219 Cb 0.08 -1.31 -0.05 0.00 -0.22 0.00 0.00 33.01 31.51 1ngm s GLN 219 CO 0.85 0.32 1.32 -0.09 -0.25 0.00 0.00 175.29 177.44 1ngm h ARG 220 N 4.49 -0.10 -0.47 2.91 2.43 -1.91 -2.02 114.38 119.71 1ngm h ARG 220 Ca -0.43 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1ngm h ARG 220 Cb 1.17 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1ngm h ARG 220 CO 0.42 -0.07 -0.25 -1.91 -1.51 0.00 0.00 179.97 176.65 1ngm n GLU 221 N -4.33 -0.18 -0.43 0.20 4.07 -1.26 -0.26 120.64 118.46 1ngm n GLU 221 Ca -0.00 0.71 0.38 0.00 -0.06 0.00 0.00 57.16 58.19 1ngm n GLU 221 Cb 0.18 -1.05 0.65 0.00 -0.06 0.00 0.00 31.44 31.15 1ngm n GLU 221 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ngm n GLU 222 N -4.62 -0.04 -0.11 5.31 1.02 -0.76 0.25 120.64 121.69 1ngm n GLU 222 Ca 0.02 1.26 -0.06 0.00 -0.02 0.00 0.00 57.16 58.36 1ngm n GLU 222 Cb 0.14 -2.43 0.02 0.00 -0.02 0.00 0.00 31.44 29.16 1ngm n GLU 222 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ngm h ILE 223 N 0.00 0.82 -0.03 -3.67 1.08 -0.74 0.23 117.51 115.20 1ngm h ILE 223 Ca 0.86 -0.07 -0.21 0.00 -0.39 0.00 0.00 64.86 65.05 1ngm h ILE 223 Cb 2.67 0.60 0.02 0.00 -3.07 0.00 0.00 36.82 37.03 1ngm h ILE 223 CO -0.52 0.04 -0.81 1.88 -0.69 0.00 0.00 178.15 178.05 1ngm h TYR 224 N 0.20 0.87 0.00 1.37 0.05 0.31 0.33 116.97 120.10 1ngm h TYR 224 Ca 0.17 -0.45 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 1ngm h TYR 224 Cb 0.20 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ngm h TYR 224 CO -0.19 1.28 -0.06 1.96 -1.05 0.00 0.00 178.16 180.10 1ngm h GLN 225 N 0.21 0.00 0.08 4.88 4.20 -1.26 -1.89 115.11 121.33 1ngm h GLN 225 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1ngm h GLN 225 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1ngm h GLN 225 CO 0.16 0.06 -0.04 0.00 -0.67 0.00 0.00 178.83 178.34 1ngm h ALA 226 N 1.94 -0.23 -0.70 3.87 0.00 0.06 -3.31 119.26 120.90 1ngm h ALA 226 Ca -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ngm h ALA 226 Cb 0.30 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1ngm h ALA 226 CO 0.01 -0.22 0.39 0.35 0.00 0.00 0.00 179.25 179.77 1ngm h PHE 227 N -0.39 0.71 -0.23 0.00 3.57 -0.39 -3.22 116.94 116.98 1ngm h PHE 227 Ca -0.01 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1ngm h PHE 227 Cb 0.08 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1ngm h PHE 227 CO 0.03 0.32 -0.59 0.93 -2.23 0.00 0.00 178.31 176.78 1ngm h GLU 228 N 0.70 0.81 0.00 1.11 4.39 -1.54 -0.02 114.58 120.02 1ngm h GLU 228 Ca 0.32 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ngm h GLU 228 Cb 0.22 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ngm h GLU 228 CO -0.20 1.18 0.00 0.00 -1.16 0.00 0.00 179.01 178.83 1ngm n ALA 229 N -2.57 1.43 0.26 3.43 0.00 -1.22 -2.10 120.51 119.74 1ngm n ALA 229 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1ngm n ALA 229 Cb 0.65 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.81 1ngm n ALA 229 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1ngm n ILE 230 N -2.01 0.00 -0.33 0.00 3.06 -1.04 -4.68 119.36 114.35 1ngm n ILE 230 Ca 0.01 -0.45 -0.03 0.00 -2.50 0.00 0.00 62.75 59.78 1ngm n ILE 230 Cb 0.14 1.09 0.09 0.00 0.54 0.00 0.00 39.64 41.50 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 0.81 1.16 0.00 9.51 3.20 -0.45 -2.12 116.97 129.08 1ngm h TYR 231 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1ngm h TYR 231 Cb 0.22 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1ngm h TYR 231 CO 0.00 0.75 -0.13 -1.35 -1.64 0.00 0.00 178.16 175.79 1ngm h PRO 232 N 1.23 0.00 -0.02 1.82 0.11 -1.84 -3.12 132.00 130.18 1ngm h PRO 232 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1ngm h PRO 232 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1ngm h PRO 232 CO -0.07 0.13 0.00 0.28 -0.21 0.00 0.00 178.00 178.13 1ngm n VAL 233 N -4.13 0.00 -0.06 3.15 0.31 -0.83 -0.97 118.33 115.80 1ngm n VAL 233 Ca -0.02 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1ngm n VAL 233 Cb 0.21 0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 33.80 1ngm n VAL 233 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ngm n LEU 234 N 0.53 1.73 -0.12 7.52 4.77 -0.99 -4.17 117.00 126.28 1ngm n LEU 234 Ca 0.18 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1ngm n LEU 234 Cb 0.43 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1ngm n LEU 234 CO 0.16 0.69 0.62 0.28 -1.33 0.00 0.00 177.39 177.80 1ngm h SER 235 N 0.02 0.83 0.00 -1.43 0.02 -1.55 -2.45 113.55 108.99 1ngm h SER 235 Ca -0.45 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1ngm h SER 235 Cb 2.04 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1ngm h SER 235 CO 0.03 1.09 0.23 -0.08 -1.14 0.00 0.00 176.83 176.96 1ngm h GLU 236 N 0.58 0.00 -1.71 3.45 4.57 -1.25 0.20 114.58 120.43 1ngm h GLU 236 Ca 0.07 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.68 1ngm h GLU 236 Cb 0.81 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.98 1ngm h GLU 236 CO 0.07 0.00 -0.76 1.19 -1.18 0.00 0.00 179.01 178.33 1ngm n PHE 237 N -2.34 3.30 -2.49 0.92 3.01 -0.93 -5.06 117.46 113.87 1ngm n PHE 237 Ca -0.01 -3.36 -0.43 0.00 1.01 0.00 0.00 57.45 54.66 1ngm n PHE 237 Cb 0.26 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.48 1ngm n PHE 237 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ngm s ARG 238 N -3.45 4.32 -0.51 -1.08 0.52 0.71 -0.95 118.95 118.51 1ngm s ARG 238 Ca 0.46 1.62 -0.28 0.00 -0.52 0.00 0.00 55.73 57.02 1ngm s ARG 238 Cb 0.37 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1ngm s ARG 238 CO -0.15 -0.51 1.68 0.21 0.02 0.00 0.00 175.30 176.55 1ngm s LYS 239 N 2.57 3.07 0.00 3.54 2.20 0.68 -4.74 119.74 127.06 1ngm s LYS 239 Ca 0.54 0.79 0.25 0.00 -0.36 0.00 0.00 55.97 57.19 1ngm s LYS 239 Cb -0.23 -4.24 1.50 0.00 -1.51 0.00 0.00 37.83 33.36 1ngm s LYS 239 CO 0.19 -2.19 1.86 -1.33 -0.36 0.00 0.00 175.35 173.51