#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfe s ILE 16 N 0.00 4.73 -0.07 0.00 -1.09 0.19 -4.85 121.20 120.11 2pfe s ILE 16 Ca 0.00 1.51 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 2pfe s ILE 16 Cb 0.00 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 2pfe s ILE 16 CO 0.00 -0.24 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.74 2pfe s ILE 17 N 3.09 1.01 0.35 2.92 1.01 -1.26 -3.25 121.20 125.07 2pfe s ILE 17 Ca 0.37 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 2pfe s ILE 17 Cb -0.14 -0.96 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 2pfe s ILE 17 CO 0.11 0.34 1.54 0.61 0.00 0.00 0.00 174.94 177.53 2pfe n GLY 18 N 4.10 1.28 0.76 6.18 0.00 -0.16 -2.11 105.19 115.22 2pfe n GLY 18 Ca -0.21 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pfe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfe n GLY 19 N 1.03 1.83 3.85 -0.02 0.00 0.95 -0.22 105.19 112.60 2pfe n GLY 19 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2pfe n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pfe s ASN 31 N -1.83 6.65 0.60 1.61 0.01 -0.90 -2.23 114.94 118.86 2pfe s ASN 31 Ca 0.00 1.41 -0.16 0.00 -0.71 0.00 0.00 52.86 53.40 2pfe s ASN 31 Cb 0.00 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 2pfe s ASN 31 CO 0.00 -0.45 1.07 -2.16 -1.51 0.00 0.00 177.10 174.06 2pfe s PRO 32 N -3.74 3.22 0.05 -0.60 0.04 -1.26 -0.21 135.00 132.49 2pfe s PRO 32 Ca 0.56 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 2pfe s PRO 32 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2pfe s PRO 32 CO 0.27 -0.90 -0.04 1.52 0.04 0.00 0.00 177.00 177.89 2pfe s TYR 33 N -2.34 0.49 0.11 0.56 -0.85 -0.19 -4.63 117.35 110.51 2pfe s TYR 33 Ca 0.65 -0.90 0.08 0.00 -0.52 0.00 0.00 57.07 56.39 2pfe s TYR 33 Cb -0.18 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 2pfe s TYR 33 CO 0.36 -0.30 -0.19 0.71 -1.52 0.00 0.00 175.55 174.61 2pfe s TYR 34 N -3.17 1.72 -0.30 -3.49 1.51 -0.24 -1.67 117.35 111.71 2pfe s TYR 34 Ca 0.01 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.52 2pfe s TYR 34 Cb 0.02 -0.92 0.13 0.00 -0.11 0.00 0.00 41.96 41.08 2pfe s TYR 34 CO -0.07 0.21 0.66 -0.59 -1.11 0.00 0.00 175.55 174.66 2pfe s PHE 35 N -1.42 -1.31 0.00 2.71 -0.12 -0.75 0.04 117.98 117.12 2pfe s PHE 35 Ca 0.08 2.29 0.00 0.00 -0.05 0.00 0.00 56.93 59.25 2pfe s PHE 35 Cb -0.09 0.79 0.00 0.00 -0.63 0.00 0.00 43.02 43.09 2pfe s PHE 35 CO 0.04 -0.65 0.00 0.41 -0.05 0.00 0.00 175.22 174.97 2pfe n GLY 36 N 5.37 3.48 0.26 1.99 0.00 -1.26 -0.69 105.19 114.34 2pfe n GLY 36 Ca -0.12 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2pfe n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pfe n ASN 39 N 5.52 0.80 -4.45 1.61 4.05 -1.26 -4.95 115.26 116.58 2pfe n ASN 39 Ca 0.00 -1.39 -0.23 0.00 0.45 0.00 0.00 54.58 53.42 2pfe n ASN 39 Cb 0.00 -0.02 -0.10 0.00 1.23 0.00 0.00 39.78 40.89 2pfe n ASN 39 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2pfe s TYR 40 N -1.95 2.12 -0.05 1.20 1.51 0.13 -5.14 117.35 115.16 2pfe s TYR 40 Ca 0.37 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 2pfe s TYR 40 Cb 0.19 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2pfe s TYR 40 CO 0.30 0.53 -0.11 0.50 -1.11 0.00 0.00 175.55 175.66 2pfe s ARG 41 N -3.60 1.40 0.45 -0.62 3.52 -1.26 -1.81 118.95 117.03 2pfe s ARG 41 Ca 0.29 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 2pfe s ARG 41 Cb -0.01 -1.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.15 2pfe s ARG 41 CO 0.13 0.06 0.09 0.00 -0.81 0.00 0.00 175.30 174.77 2pfe s SER 43 N -3.70 4.39 0.20 0.00 0.01 0.92 -1.02 113.70 114.50 2pfe s SER 43 Ca 0.17 -0.16 -0.32 0.00 1.31 0.00 0.00 55.95 56.95 2pfe s SER 43 Cb 0.02 -1.34 -0.13 0.00 0.21 0.00 0.00 66.02 64.78 2pfe s SER 43 CO 0.11 0.27 1.52 -0.38 0.41 0.00 0.00 173.24 175.17 2pfe n ILE 44 N 2.83 0.44 0.00 1.44 5.41 0.70 -2.89 119.36 127.29 2pfe n ILE 44 Ca -0.18 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.46 2pfe n ILE 44 Cb 0.53 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 2pfe n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2pfe n GLY 44 N 2.86 1.72 2.90 7.39 0.00 -0.18 -0.04 105.19 119.85 2pfe n GLY 44 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 2pfe n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pfe s PHE 45 N -0.01 0.37 0.32 1.61 0.40 -1.15 -3.98 117.98 115.54 2pfe s PHE 45 Ca 0.00 -0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 2pfe s PHE 45 Cb 0.00 -0.31 -0.13 0.00 0.51 0.00 0.00 43.02 43.10 2pfe s PHE 45 CO 0.00 -0.05 1.27 0.43 0.70 0.00 0.00 175.22 177.57 2pfe n SER 46 N 3.36 2.56 -4.18 1.36 7.64 -1.26 -0.35 113.62 122.75 2pfe n SER 46 Ca -0.17 1.19 -0.11 0.00 1.01 0.00 0.00 58.87 60.79 2pfe n SER 46 Cb 0.56 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.21 2pfe n SER 46 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2pfe s VAL 47 N -0.90 0.43 0.13 0.44 -7.23 0.36 -2.00 120.40 111.63 2pfe s VAL 47 Ca 0.58 -1.93 0.10 0.00 -1.81 0.00 0.00 61.98 58.92 2pfe s VAL 47 Cb -0.60 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2pfe s VAL 47 CO 0.60 -0.60 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.43 2pfe s ARG 48 N -3.95 1.30 -0.28 4.82 0.52 0.14 -1.35 118.95 120.16 2pfe s ARG 48 Ca 0.20 -1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 54.07 2pfe s ARG 48 Cb 0.07 -1.63 0.09 0.00 0.52 0.00 0.00 34.95 34.00 2pfe s ARG 48 CO 0.00 0.37 0.09 -1.14 0.02 0.00 0.00 175.30 174.65 2pfe s GLN 48 N -2.20 0.53 5.11 3.54 0.74 -0.07 -0.74 119.66 126.57 2pfe s GLN 48 Ca 0.13 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.77 2pfe s GLN 48 Cb -0.09 -1.77 0.00 0.00 1.10 0.00 0.00 33.01 32.25 2pfe s GLN 48 CO 0.06 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.29 2pfe n GLY 48 N 5.01 2.57 0.05 2.59 0.00 -1.26 -0.66 105.19 113.48 2pfe n GLY 48 Ca -0.05 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.43 2pfe n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pfe n SER 48 N 8.59 0.66 -4.84 1.61 3.41 -1.26 -4.92 113.62 116.86 2pfe n SER 48 Ca 0.00 -0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2pfe n SER 48 Cb 0.00 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2pfe n SER 48 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pfe s GLN 49 N -3.17 3.86 0.20 4.33 -0.21 0.16 -5.09 119.66 119.74 2pfe s GLN 49 Ca 0.06 0.95 0.05 0.00 0.02 0.00 0.00 55.36 56.44 2pfe s GLN 49 Cb 0.14 -2.12 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 2pfe s GLN 49 CO 0.75 -0.35 -0.08 0.95 -2.12 0.00 0.00 175.29 174.43 2pfe s THR 50 N -2.68 1.34 -0.80 -0.19 -4.23 -1.26 -0.90 115.64 106.92 2pfe s THR 50 Ca 0.59 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2pfe s THR 50 Cb -0.10 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2pfe s THR 50 CO 0.34 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2pfe n GLY 51 N -0.34 -0.60 3.11 3.99 0.00 -0.46 -1.84 105.19 109.05 2pfe n GLY 51 Ca -0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2pfe n GLY 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pfe s PHE 52 N -3.26 -0.15 0.57 1.61 -0.12 -0.17 -0.49 117.98 115.98 2pfe s PHE 52 Ca 0.00 0.35 -0.18 0.00 -0.05 0.00 0.00 56.93 57.04 2pfe s PHE 52 Cb 0.00 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2pfe s PHE 52 CO 0.00 -0.19 1.12 0.00 -0.05 0.00 0.00 175.22 176.10 2pfe s ALA 53 N -0.45 2.64 0.24 1.99 0.00 0.53 -0.81 121.76 125.91 2pfe s ALA 53 Ca -0.05 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 2pfe s ALA 53 Cb -0.04 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2pfe s ALA 53 CO 0.01 -0.89 0.50 -2.37 0.00 0.00 0.00 175.76 173.01 2pfe n THR 54 N -1.60 0.00 -2.79 0.00 5.66 -0.29 -1.01 114.28 114.25 2pfe n THR 54 Ca 0.11 -0.61 -0.40 0.00 -3.05 0.00 0.00 64.05 60.11 2pfe n THR 54 Cb 0.51 0.61 -0.06 0.00 -1.55 0.00 0.00 70.33 69.85 2pfe n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pfe s ALA 55 N -1.67 3.35 0.37 1.79 0.00 -1.26 -1.65 121.76 122.68 2pfe s ALA 55 Ca 0.10 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2pfe s ALA 55 Cb -0.03 -3.16 0.74 0.00 0.00 0.00 0.00 23.12 20.66 2pfe s ALA 55 CO 0.07 0.22 1.99 0.78 0.00 0.00 0.00 175.76 178.83 2pfe h GLY 56 N 4.10 0.86 2.00 0.00 0.00 -1.59 -2.69 103.07 105.75 2pfe h GLY 56 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2pfe h GLY 56 CO 0.67 0.25 0.00 -2.39 0.00 0.00 0.00 176.54 175.08 2pfe n HIS 57 N -4.46 0.65 0.30 5.60 1.44 -1.26 -2.45 115.22 115.04 2pfe n HIS 57 Ca 0.08 0.24 0.18 0.00 -2.01 0.00 0.00 57.72 56.21 2pfe n HIS 57 Cb 0.15 -0.89 0.81 0.00 0.12 0.00 0.00 29.99 30.17 2pfe n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pfe n GLY 59 N -0.34 2.78 3.91 0.00 0.00 -1.03 -5.04 105.19 105.48 2pfe n GLY 59 Ca -0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2pfe n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pfe s SER 59 N 0.00 5.26 0.09 1.61 1.04 -1.26 -4.76 113.70 115.68 2pfe s SER 59 Ca 0.00 0.75 -0.35 0.00 0.48 0.00 0.00 55.95 56.83 2pfe s SER 59 Cb 0.00 -1.56 -0.15 0.00 0.10 0.00 0.00 66.02 64.41 2pfe s SER 59 CO 0.00 -1.34 1.51 0.41 0.98 0.00 0.00 173.24 174.80 2pfe n THR 59 N -2.84 0.06 0.00 2.02 -1.04 -1.26 -1.64 114.28 109.58 2pfe n THR 59 Ca 0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2pfe n THR 59 Cb 0.59 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 2pfe n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pfe n GLY 60 N 3.17 0.78 3.70 3.41 0.00 0.98 -4.99 105.19 112.24 2pfe n GLY 60 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2pfe n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pfe n THR 61 N -2.00 0.26 -2.59 2.61 -1.04 -0.65 -4.66 114.28 106.21 2pfe n THR 61 Ca 0.00 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 2pfe n THR 61 Cb 0.00 -2.05 -0.05 0.00 -1.82 0.00 0.00 70.33 66.41 2pfe n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pfe s ARG 62 N 2.28 4.68 0.23 -2.82 1.04 -1.26 -0.35 118.95 122.75 2pfe s ARG 62 Ca 0.80 1.66 0.09 0.00 -1.04 0.00 0.00 55.73 57.24 2pfe s ARG 62 Cb -0.50 -3.27 -0.05 0.00 -2.04 0.00 0.00 34.95 29.09 2pfe s ARG 62 CO 0.36 0.23 -0.16 0.14 -0.04 0.00 0.00 175.30 175.84 2pfe s VAL 64 N -0.68 1.98 0.14 4.99 -7.23 -0.17 -4.72 120.40 114.70 2pfe s VAL 64 Ca 0.46 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2pfe s VAL 64 Cb -0.29 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2pfe s VAL 64 CO 0.35 -0.51 -0.08 -0.94 -0.31 0.00 0.00 175.10 173.61 2pfe s SER 65 N -3.39 1.57 -0.85 4.85 1.04 0.11 -1.93 113.70 115.09 2pfe s SER 65 Ca 0.25 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 2pfe s SER 65 Cb -0.02 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2pfe s SER 65 CO 0.10 -0.39 0.63 -1.20 0.98 0.00 0.00 173.24 173.36 2pfe n SER 66 N -0.16 -5.31 -4.85 7.02 7.64 -1.26 -1.08 113.62 115.61 2pfe n SER 66 Ca -0.10 -0.85 -0.31 0.00 1.01 0.00 0.00 58.87 58.62 2pfe n SER 66 Cb 0.61 -2.35 -0.03 0.00 -1.01 0.00 0.00 64.21 61.43 2pfe n SER 66 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2pfe s PRO 67 N -4.84 3.88 0.20 1.43 0.04 -1.26 -4.06 135.00 130.39 2pfe s PRO 67 Ca 0.05 0.77 -0.32 0.00 0.04 0.00 0.00 61.00 61.55 2pfe s PRO 67 Cb -0.03 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 2pfe s PRO 67 CO 0.88 -0.18 1.74 -1.12 0.04 0.00 0.00 177.00 178.35 2pfe s SER 68 N -3.10 6.38 0.10 6.66 0.01 -1.26 -4.77 113.70 117.72 2pfe s SER 68 Ca 0.56 2.85 -0.17 0.00 1.31 0.00 0.00 55.95 60.50 2pfe s SER 68 Cb -0.10 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.59 2pfe s SER 68 CO 0.31 -0.98 0.80 0.61 0.41 0.00 0.00 173.24 174.39 2pfe n GLY 85 N 4.02 0.67 2.93 3.44 0.00 -0.82 -3.28 105.19 112.15 2pfe n GLY 85 Ca 0.16 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2pfe n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pfe s THR 87 N -2.16 0.17 -0.29 2.61 2.01 -0.41 -1.00 115.64 116.57 2pfe s THR 87 Ca 0.18 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2pfe s THR 87 Cb -0.02 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2pfe s THR 87 CO 0.03 -0.08 1.79 -0.69 -0.69 0.00 0.00 174.62 174.98 2pfe s VAL 88 N -0.38 3.48 -0.09 3.82 1.01 0.53 -0.61 120.40 128.16 2pfe s VAL 88 Ca -0.03 0.51 0.15 0.00 0.00 0.00 0.00 61.98 62.60 2pfe s VAL 88 Cb -0.03 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 2pfe s VAL 88 CO -0.00 -0.35 1.04 0.00 0.00 0.00 0.00 175.10 175.79 2pfe h ALA 88 N 12.45 0.64 -2.24 5.51 0.00 -1.22 0.28 119.26 134.68 2pfe h ALA 88 Ca -0.35 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 53.67 2pfe h ALA 88 Cb 1.17 0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 2pfe h ALA 88 CO 1.02 0.96 -0.00 0.20 0.00 0.00 0.00 179.25 181.42 2pfe s GLY 89 N -4.73 -0.43 -0.28 0.00 0.00 -1.09 -4.85 107.32 95.95 2pfe s GLY 89 Ca -0.01 1.23 -0.11 0.00 0.00 0.00 0.00 44.72 45.83 2pfe s GLY 89 CO 0.80 0.96 0.63 -0.45 0.00 0.00 0.00 173.10 175.03 2pfe s SER 90 N -0.62 -0.99 -0.32 1.64 0.15 -1.26 -0.79 113.70 111.51 2pfe s SER 90 Ca -0.07 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.07 2pfe s SER 90 Cb -0.03 1.94 0.08 0.00 -1.71 0.00 0.00 66.02 66.30 2pfe s SER 90 CO 0.05 -0.22 0.02 -0.47 1.20 0.00 0.00 173.24 173.82 2pfe s TYR 91 N 2.53 3.47 -0.28 3.44 6.14 0.93 -4.67 117.35 128.91 2pfe s TYR 91 Ca -0.07 -2.42 -0.18 0.00 0.64 0.00 0.00 57.07 55.05 2pfe s TYR 91 Cb -0.10 -2.50 0.12 0.00 0.42 0.00 0.00 41.96 39.90 2pfe s TYR 91 CO -0.18 -0.90 0.90 0.12 0.64 0.00 0.00 175.55 176.13 2pfe s PHE 94 N 1.09 -0.70 0.00 4.97 5.36 -1.25 -1.74 117.98 125.71 2pfe s PHE 94 Ca 0.01 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2pfe s PHE 94 Cb -0.20 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 2pfe s PHE 94 CO -0.05 -0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 173.02 2pfe n PRO 95 N 3.59 1.50 0.00 10.12 -0.04 -1.26 -4.94 135.00 143.96 2pfe n PRO 95 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2pfe n PRO 95 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2pfe n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pfe n GLY 100 N 3.72 1.93 1.54 0.55 0.00 0.89 -4.78 105.19 109.05 2pfe n GLY 100 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2pfe n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pfe n ARG 101 N 0.00 1.29 -3.09 1.61 5.12 -1.26 -0.77 116.66 119.56 2pfe n ARG 101 Ca 0.00 -1.46 -0.19 0.00 -1.93 0.00 0.00 57.85 54.27 2pfe n ARG 101 Cb 0.00 0.25 -0.03 0.00 -1.16 0.00 0.00 32.46 31.52 2pfe n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2pfe n ASP 102 N -1.62 -0.32 -4.00 0.55 2.03 -1.14 -3.94 116.55 108.11 2pfe n ASP 102 Ca -0.04 -2.93 -0.15 0.00 0.52 0.00 0.00 54.79 52.20 2pfe n ASP 102 Cb 0.26 -0.08 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 2pfe n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pfe s MET 103 N -1.08 0.46 0.20 -0.67 0.23 -0.71 -3.05 119.30 114.68 2pfe s MET 103 Ca 0.35 -0.40 -0.23 0.00 -1.03 0.00 0.00 55.69 54.38 2pfe s MET 103 Cb 0.23 -0.36 0.05 0.00 -1.53 0.00 0.00 34.83 33.21 2pfe s MET 103 CO -0.12 0.09 0.84 0.20 -2.03 0.00 0.00 175.02 173.99 2pfe s GLY 104 N -0.66 -0.20 0.03 3.16 0.00 -0.66 -0.05 107.32 108.94 2pfe s GLY 104 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 2pfe s GLY 104 CO 0.00 -0.02 0.28 0.66 0.00 0.00 0.00 173.10 174.02 2pfe s TRP 105 N -3.57 -0.09 -0.17 1.90 1.48 0.03 -1.14 118.94 117.38 2pfe s TRP 105 Ca 0.11 -0.02 -0.02 0.00 -1.06 0.00 0.00 56.10 55.11 2pfe s TRP 105 Cb -0.03 0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.33 2pfe s TRP 105 CO 0.03 -0.46 -0.09 0.08 -4.06 0.00 0.00 176.95 172.46 2pfe s VAL 106 N -2.25 3.25 -0.10 -0.66 1.01 0.01 -0.65 120.40 121.02 2pfe s VAL 106 Ca -0.07 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2pfe s VAL 106 Cb -0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2pfe s VAL 106 CO -0.02 0.48 0.72 -0.60 0.00 0.00 0.00 175.10 175.69 2pfe s ARG 107 N 0.83 4.38 0.63 2.72 3.52 0.22 -1.00 118.95 130.26 2pfe s ARG 107 Ca -0.03 0.88 0.07 0.00 -0.13 0.00 0.00 55.73 56.52 2pfe s ARG 107 Cb -0.15 -3.49 0.11 0.00 -1.56 0.00 0.00 34.95 29.86 2pfe s ARG 107 CO 0.01 -0.05 0.87 0.96 -0.81 0.00 0.00 175.30 176.27 2pfe s ILE 108 N 1.21 2.08 0.55 4.11 -4.36 -0.77 -1.29 121.20 122.73 2pfe s ILE 108 Ca 0.37 -0.88 0.05 0.00 -0.26 0.00 0.00 60.65 59.92 2pfe s ILE 108 Cb -0.17 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.38 2pfe s ILE 108 CO 0.16 0.00 0.38 0.42 0.24 0.00 0.00 174.94 176.14 2pfe s THR 109 N -2.83 1.54 -0.05 8.37 -4.23 -1.21 -4.77 115.64 112.46 2pfe s THR 109 Ca 0.64 -1.53 0.29 0.00 -1.18 0.00 0.00 61.69 59.90 2pfe s THR 109 Cb -0.05 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 72.01 2pfe s THR 109 CO 0.41 0.00 1.87 0.77 -0.54 0.00 0.00 174.62 177.13 2pfe h SER 110 N 0.76 0.00 0.54 3.99 4.64 -2.00 -2.71 113.55 118.77 2pfe h SER 110 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2pfe h SER 110 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2pfe h SER 110 CO 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 2pfe n ALA 111 N -1.88 1.61 -2.20 5.18 0.00 -1.26 -4.77 120.51 117.18 2pfe n ALA 111 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pfe n ALA 111 Cb 0.13 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 2pfe n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pfe s ASP 112 N -3.46 1.36 -0.06 0.00 1.01 -1.02 -4.96 116.67 109.54 2pfe s ASP 112 Ca 0.05 -1.03 0.02 0.00 0.71 0.00 0.00 52.55 52.31 2pfe s ASP 112 Cb 0.09 0.06 0.02 0.00 1.01 0.00 0.00 42.92 44.10 2pfe s ASP 112 CO 0.29 -0.43 -0.10 -0.89 0.21 0.00 0.00 175.17 174.25 2pfe s THR 113 N -3.53 0.94 0.38 -1.27 2.01 -1.26 -4.80 115.64 108.11 2pfe s THR 113 Ca 0.15 -0.37 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 2pfe s THR 113 Cb 0.04 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 2pfe s THR 113 CO -0.02 0.31 1.21 0.68 -0.69 0.00 0.00 174.62 176.11 2pfe s VAL 114 N 0.71 2.99 0.09 3.82 -7.23 -1.26 0.52 120.40 120.04 2pfe s VAL 114 Ca -0.13 0.88 0.02 0.00 -1.81 0.00 0.00 61.98 60.94 2pfe s VAL 114 Cb -0.15 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2pfe s VAL 114 CO 0.03 0.12 -0.08 0.42 -0.31 0.00 0.00 175.10 175.28 2pfe s THR 119 N -1.32 0.71 -0.17 5.32 -4.23 -1.20 -4.82 115.64 109.94 2pfe s THR 119 Ca 0.55 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2pfe s THR 119 Cb -0.34 -1.38 0.17 0.00 1.34 0.00 0.00 72.50 72.29 2pfe s THR 119 CO 0.43 -0.70 1.62 -0.81 -0.54 0.00 0.00 174.62 174.63 2pfe n PRO 120 N 0.41 1.44 -4.21 3.99 -0.04 -1.26 -4.29 135.00 131.04 2pfe n PRO 120 Ca -0.15 -0.95 -0.30 0.00 -0.04 0.00 0.00 63.50 62.06 2pfe n PRO 120 Cb 0.59 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2pfe n PRO 120 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pfe s LEU 120 N -1.07 3.33 -0.02 1.53 1.43 -1.26 -0.45 118.68 122.17 2pfe s LEU 120 Ca 0.18 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2pfe s LEU 120 Cb 0.15 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2pfe s LEU 120 CO 0.02 0.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 2pfe s VAL 120 N -1.23 1.52 -0.04 -1.59 1.01 -0.05 -0.99 120.40 119.02 2pfe s VAL 120 Ca 0.23 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2pfe s VAL 120 Cb -0.11 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2pfe s VAL 120 CO 0.15 0.43 1.26 0.21 0.00 0.00 0.00 175.10 177.16 2pfe s ASN 120 N -0.43 6.99 0.07 3.32 3.84 0.69 -0.64 114.94 128.77 2pfe s ASN 120 Ca 0.07 1.90 0.25 0.00 0.21 0.00 0.00 52.86 55.28 2pfe s ASN 120 Cb -0.08 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.49 2pfe s ASN 120 CO -0.01 -0.63 1.37 -1.14 -2.79 0.00 0.00 177.10 173.90 2pfe n ARG 120 N 5.32 0.17 -1.86 0.43 3.00 -0.25 -4.80 116.66 118.66 2pfe n ARG 120 Ca 0.12 0.05 -0.16 0.00 -0.00 0.00 0.00 57.85 57.85 2pfe n ARG 120 Cb 0.45 -1.61 -0.04 0.00 0.00 0.00 0.00 32.46 31.27 2pfe n ARG 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2pfe n TYR 120 N -1.86 -0.36 0.00 -0.14 4.02 -1.26 -4.49 117.16 113.07 2pfe n TYR 120 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2pfe n TYR 120 Cb 0.40 -3.02 0.00 0.00 -0.02 0.00 0.00 39.34 36.69 2pfe n TYR 120 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2pfe n ASN 120 N -0.81 3.61 0.00 7.72 0.23 -1.26 -4.86 115.26 119.89 2pfe n ASN 120 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2pfe n ASN 120 Cb 0.58 0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 2pfe n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pfe n GLY 120 N 2.58 -1.76 3.24 4.83 0.00 -1.26 -5.27 105.19 107.56 2pfe n GLY 120 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 2pfe n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pfe s THR 120 N 0.00 0.72 -0.06 2.61 -4.23 -1.26 -1.10 115.64 112.32 2pfe s THR 120 Ca 0.00 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2pfe s THR 120 Cb 0.00 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 2pfe s THR 120 CO 0.00 -0.49 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.73 2pfe s VAL 120 N -3.63 2.72 -0.16 2.29 1.01 0.19 -4.80 120.40 118.01 2pfe s VAL 120 Ca 0.24 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 2pfe s VAL 120 Cb 0.06 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2pfe s VAL 120 CO 0.04 0.58 0.47 -0.89 0.00 0.00 0.00 175.10 175.30 2pfe s THR 120 N -0.44 5.17 -0.17 3.92 2.01 -1.26 -0.87 115.64 123.99 2pfe s THR 120 Ca 0.05 0.90 -0.27 0.00 0.31 0.00 0.00 61.69 62.68 2pfe s THR 120 Cb -0.12 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2pfe s THR 120 CO 0.02 0.27 0.90 -0.69 -0.69 0.00 0.00 174.62 174.43 2pfe s VAL 121 N 1.06 4.82 -0.80 3.82 1.01 0.40 -4.66 120.40 126.05 2pfe s VAL 121 Ca 0.24 1.78 0.10 0.00 0.00 0.00 0.00 61.98 64.09 2pfe s VAL 121 Cb -0.15 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2pfe s VAL 121 CO 0.09 -0.02 0.58 0.35 0.00 0.00 0.00 175.10 176.10 2pfe n THR 122 N 4.86 0.00 -2.26 3.92 -2.24 -0.31 -0.47 114.28 117.77 2pfe n THR 122 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2pfe n THR 122 Cb 0.48 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2pfe n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pfe n GLY 123 N 0.98 -1.43 2.62 3.38 0.00 -1.23 -4.75 105.19 104.75 2pfe n GLY 123 Ca 0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 2pfe n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pfe n SER 124 N 1.01 2.44 -4.65 1.61 3.41 -1.26 -0.61 113.62 115.56 2pfe n SER 124 Ca 0.00 -2.60 -0.42 0.00 -0.26 0.00 0.00 58.87 55.58 2pfe n SER 124 Cb 0.00 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 2pfe n SER 124 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2pfe s GLN 125 N -3.63 4.07 0.14 4.33 0.74 -1.26 -4.81 119.66 119.24 2pfe s GLN 125 Ca 0.33 2.20 -0.31 0.00 0.05 0.00 0.00 55.36 57.63 2pfe s GLN 125 Cb 0.37 -4.05 -0.09 0.00 1.10 0.00 0.00 33.01 30.34 2pfe s GLN 125 CO -0.02 -0.99 1.52 -2.00 -0.55 0.00 0.00 175.29 173.25 2pfe s GLU 129 N 4.33 4.24 0.49 1.67 2.12 -1.26 -4.74 118.70 125.55 2pfe s GLU 129 Ca 0.78 2.27 -0.18 0.00 0.36 0.00 0.00 54.97 58.20 2pfe s GLU 129 Cb -0.34 -3.22 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 2pfe s GLU 129 CO 0.32 -0.57 0.98 0.00 -0.54 0.00 0.00 175.26 175.45 2pfe s ALA 130 N 1.27 3.04 0.58 6.30 0.00 -1.26 -5.06 121.76 126.63 2pfe s ALA 130 Ca 0.69 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2pfe s ALA 130 Cb -0.41 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2pfe s ALA 130 CO 0.31 -0.15 1.03 0.00 0.00 0.00 0.00 175.76 176.95 2pfe s ALA 131 N -2.46 2.89 0.24 0.00 0.00 -1.26 -4.97 121.76 116.20 2pfe s ALA 131 Ca 0.60 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 52.49 2pfe s ALA 131 Cb -0.10 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.72 2pfe s ALA 131 CO 0.25 -0.62 1.42 2.41 0.00 0.00 0.00 175.76 179.22 2pfe n THR 132 N -2.04 0.91 0.00 0.00 -1.04 -1.26 -1.39 114.28 109.45 2pfe n THR 132 Ca 0.08 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2pfe n THR 132 Cb 0.53 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2pfe n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pfe n GLY 133 N 2.21 1.59 3.77 3.41 0.00 0.65 -5.02 105.19 111.80 2pfe n GLY 133 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2pfe n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pfe s SER 134 N -1.85 5.47 0.71 1.61 0.15 -0.48 -4.62 113.70 114.69 2pfe s SER 134 Ca 0.00 2.17 -0.14 0.00 0.70 0.00 0.00 55.95 58.68 2pfe s SER 134 Cb 0.00 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2pfe s SER 134 CO 0.00 -1.39 1.15 -0.44 1.20 0.00 0.00 173.24 173.76 2pfe s SER 135 N -1.93 4.56 -0.02 5.45 0.01 -1.26 -0.85 113.70 119.65 2pfe s SER 135 Ca 0.72 2.13 -0.27 0.00 1.31 0.00 0.00 55.95 59.84 2pfe s SER 135 Cb -0.24 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.48 2pfe s SER 135 CO 0.31 -2.00 0.59 0.54 0.41 0.00 0.00 173.24 173.09 2pfe s VAL 136 N -2.27 0.01 0.08 3.43 0.11 -0.36 -4.69 120.40 116.72 2pfe s VAL 136 Ca 0.69 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 2pfe s VAL 136 Cb -0.24 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2pfe s VAL 136 CO 0.45 -0.06 -0.14 0.00 -3.33 0.00 0.00 175.10 172.01 2pfe s ARG 138 N -1.90 1.40 -0.05 0.00 1.70 0.44 -0.36 118.95 120.17 2pfe s ARG 138 Ca 0.00 -1.43 0.06 0.00 -0.47 0.00 0.00 55.73 53.88 2pfe s ARG 138 Cb -0.09 -1.66 -0.01 0.00 -0.57 0.00 0.00 34.95 32.62 2pfe s ARG 138 CO 0.02 0.36 -0.22 0.45 -1.08 0.00 0.00 175.30 174.84 2pfe s SER 139 N -2.52 2.71 0.18 -2.89 0.15 -0.64 -1.30 113.70 109.39 2pfe s SER 139 Ca 0.17 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 56.16 2pfe s SER 139 Cb -0.08 -0.70 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 2pfe s SER 139 CO 0.08 0.22 0.59 -0.83 1.20 0.00 0.00 173.24 174.49 2pfe s GLY 140 N -0.13 -0.43 0.46 9.45 0.00 -0.35 -3.51 107.32 112.82 2pfe s GLY 140 Ca -0.03 0.21 0.24 0.00 0.00 0.00 0.00 44.72 45.15 2pfe s GLY 140 CO 0.03 0.02 1.92 0.00 0.00 0.00 0.00 173.10 175.06 2pfe h ALA 141 N 2.06 1.14 0.05 3.20 0.00 -1.59 -0.62 119.26 123.51 2pfe h ALA 141 Ca -0.31 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 2pfe h ALA 141 Cb 1.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2pfe h ALA 141 CO 0.36 0.26 -1.67 2.41 0.00 0.00 0.00 179.25 180.62 2pfe n THR 142 N -3.54 1.64 0.31 0.00 -1.04 -1.26 -4.60 114.28 105.79 2pfe n THR 142 Ca -0.01 -0.33 0.05 0.00 -2.04 0.00 0.00 64.05 61.73 2pfe n THR 142 Cb 0.36 -1.89 0.06 0.00 -1.82 0.00 0.00 70.33 67.04 2pfe n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2pfe n THR 143 N -3.99 0.20 -0.93 12.58 -2.24 -1.23 -5.06 114.28 113.60 2pfe n THR 143 Ca -0.33 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2pfe n THR 143 Cb 0.86 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 2pfe n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pfe n GLY 156 N 0.55 1.62 3.58 3.38 0.00 -0.24 -4.69 105.19 109.39 2pfe n GLY 156 Ca 0.07 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2pfe n GLY 156 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pfe s TRP 157 N 0.00 3.22 0.00 1.61 -0.11 -1.26 -1.21 118.94 121.19 2pfe s TRP 157 Ca 0.00 0.03 0.01 0.00 1.22 0.00 0.00 56.10 57.36 2pfe s TRP 157 Cb 0.00 -2.29 -0.00 0.00 -1.50 0.00 0.00 33.47 29.67 2pfe s TRP 157 CO 0.00 -0.12 -0.04 1.03 -4.62 0.00 0.00 176.95 173.20 2pfe s ARG 158 N 1.43 0.33 0.30 5.86 1.81 -0.42 -5.00 118.95 123.26 2pfe s ARG 158 Ca 0.07 -0.19 0.08 0.00 -1.72 0.00 0.00 55.73 53.97 2pfe s ARG 158 Cb -0.15 -0.30 -0.06 0.00 -0.45 0.00 0.00 34.95 33.99 2pfe s ARG 158 CO 0.07 0.08 -0.09 0.00 -0.68 0.00 0.00 175.30 174.68 2pfe n GLY 160 N -0.65 1.72 3.21 0.00 0.00 0.13 -4.28 105.19 105.31 2pfe n GLY 160 Ca -0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 2pfe n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pfe s THR 161 N -1.83 1.52 -0.19 2.61 -4.23 -1.26 -1.22 115.64 111.04 2pfe s THR 161 Ca 0.00 -1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2pfe s THR 161 Cb 0.00 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 2pfe s THR 161 CO 0.00 0.28 1.19 -0.63 -0.54 0.00 0.00 174.62 174.92 2pfe s ILE 162 N -0.64 4.41 -0.26 2.99 1.01 -0.03 -1.68 121.20 127.00 2pfe s ILE 162 Ca 0.07 1.70 -0.02 0.00 0.00 0.00 0.00 60.65 62.40 2pfe s ILE 162 Cb -0.08 -4.10 -0.16 0.00 0.01 0.00 0.00 42.46 38.12 2pfe s ILE 162 CO 0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 174.94 174.56 2pfe n GLN 163 N 6.53 0.64 -3.63 2.79 6.02 0.28 -0.25 117.38 129.75 2pfe n GLN 163 Ca 0.13 0.18 -0.12 0.00 -0.01 0.00 0.00 57.00 57.19 2pfe n GLN 163 Cb 0.45 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 2pfe n GLN 163 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pfe s SER 164 N -6.74 -0.77 0.38 1.08 0.15 -1.17 -4.74 113.70 101.88 2pfe s SER 164 Ca -0.35 1.41 0.07 0.00 0.70 0.00 0.00 55.95 57.78 2pfe s SER 164 Cb 0.10 1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 65.80 2pfe s SER 164 CO 0.58 -0.24 0.41 -0.54 1.20 0.00 0.00 173.24 174.66 2pfe s LYS 165 N 0.71 2.76 -1.37 5.44 1.02 -1.26 -0.57 119.74 126.47 2pfe s LYS 165 Ca -0.03 -1.31 -0.07 0.00 0.02 0.00 0.00 55.97 54.59 2pfe s LYS 165 Cb -0.05 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2pfe s LYS 165 CO -0.05 -0.08 0.98 -1.71 -0.92 0.00 0.00 175.35 173.57 2pfe n ASN 166 N -1.58 -3.88 -4.88 2.83 5.15 -0.79 -4.93 115.26 107.18 2pfe n ASN 166 Ca 0.02 -0.69 -0.34 0.00 -0.60 0.00 0.00 54.58 52.98 2pfe n ASN 166 Cb 0.60 -4.50 -0.05 0.00 -0.53 0.00 0.00 39.78 35.30 2pfe n ASN 166 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2pfe s GLN 167 N -6.14 3.66 -0.17 1.20 -1.52 0.79 -4.47 119.66 113.01 2pfe s GLN 167 Ca 0.36 0.01 -0.06 0.00 -1.95 0.00 0.00 55.36 53.72 2pfe s GLN 167 Cb -0.17 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 2pfe s GLN 167 CO 0.78 0.55 0.01 0.99 -0.25 0.00 0.00 175.29 177.38 2pfe s THR 168 N -1.46 4.31 -0.09 -0.19 2.01 -1.26 -1.27 115.64 117.69 2pfe s THR 168 Ca 0.34 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2pfe s THR 168 Cb -0.13 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.46 2pfe s THR 168 CO 0.20 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.71 2pfe s VAL 169 N 0.44 1.72 -1.25 3.82 1.01 0.27 -4.99 120.40 121.42 2pfe s VAL 169 Ca -0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2pfe s VAL 169 Cb -0.13 -1.51 0.17 0.00 0.00 0.00 0.00 36.38 34.90 2pfe s VAL 169 CO 0.02 0.48 1.66 0.54 0.00 0.00 0.00 175.10 177.80 2pfe n ARG 170 N 3.68 3.50 -1.26 2.72 1.74 -1.26 -0.87 116.66 124.91 2pfe n ARG 170 Ca -0.20 -3.68 -0.33 0.00 -0.77 0.00 0.00 57.85 52.86 2pfe n ARG 170 Cb 0.52 -2.99 0.11 0.00 -1.02 0.00 0.00 32.46 29.08 2pfe n ARG 170 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2pfe s TYR 171 N 1.00 2.02 0.50 -1.55 4.12 -1.13 -4.90 117.35 117.40 2pfe s TYR 171 Ca 0.41 1.64 0.20 0.00 0.02 0.00 0.00 57.07 59.35 2pfe s TYR 171 Cb 0.04 -3.39 1.26 0.00 -1.52 0.00 0.00 41.96 38.34 2pfe s TYR 171 CO 0.00 -2.55 2.01 0.00 0.02 0.00 0.00 175.55 175.04 2pfe h ALA 173 N -0.72 2.28 0.00 3.71 0.00 -2.03 -0.85 119.26 121.65 2pfe h ALA 173 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pfe h ALA 173 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2pfe h ALA 173 CO 0.48 -0.40 -0.17 0.39 0.00 0.00 0.00 179.25 179.55 2pfe n GLU 174 N -4.43 0.15 0.00 0.00 4.71 -1.26 -5.00 120.64 114.80 2pfe n GLU 174 Ca 0.08 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 2pfe n GLU 174 Cb 0.46 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 2pfe n GLU 174 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pfe n GLY 175 N 1.40 3.35 3.74 0.62 0.00 -0.33 -4.75 105.19 109.22 2pfe n GLY 175 Ca 0.06 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2pfe n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pfe s THR 176 N -2.00 4.24 -0.06 2.61 2.01 -1.26 -2.83 115.64 118.34 2pfe s THR 176 Ca 0.00 2.03 0.05 0.00 0.31 0.00 0.00 61.69 64.08 2pfe s THR 176 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2pfe s THR 176 CO 0.00 0.39 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.41 2pfe s VAL 177 N -0.56 1.88 0.44 3.82 1.01 -0.05 -0.07 120.40 126.87 2pfe s VAL 177 Ca 0.45 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.54 2pfe s VAL 177 Cb -0.25 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2pfe s VAL 177 CO 0.31 0.52 0.24 0.42 0.00 0.00 0.00 175.10 176.60 2pfe s THR 178 N 0.01 2.22 -0.17 3.92 -4.23 0.05 -0.56 115.64 116.88 2pfe s THR 178 Ca -0.07 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2pfe s THR 178 Cb -0.14 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2pfe s THR 178 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2pfe n GLY 179 N -1.37 0.51 3.87 3.99 0.00 -1.03 -4.71 105.19 106.46 2pfe n GLY 179 Ca -0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2pfe n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pfe s LEU 180 N -0.37 3.90 -0.23 0.99 1.43 -0.40 -4.31 118.68 119.69 2pfe s LEU 180 Ca 0.00 1.17 -0.07 0.00 -1.03 0.00 0.00 54.13 54.20 2pfe s LEU 180 Cb 0.00 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 2pfe s LEU 180 CO 0.00 -0.34 0.07 -0.89 0.23 0.00 0.00 176.35 175.43 2pfe s THR 181 N -2.25 4.49 0.04 5.49 2.01 -0.30 -0.15 115.64 124.98 2pfe s THR 181 Ca 0.52 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 2pfe s THR 181 Cb -0.10 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 2pfe s THR 181 CO 0.27 0.37 0.73 -0.60 -0.69 0.00 0.00 174.62 174.69 2pfe s ARG 182 N 1.28 4.46 0.22 4.92 3.52 0.26 -1.01 118.95 132.60 2pfe s ARG 182 Ca 0.05 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.67 2pfe s ARG 182 Cb -0.15 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 2pfe s ARG 182 CO 0.04 0.32 0.02 0.95 -0.81 0.00 0.00 175.30 175.82 2pfe s THR 183 N -0.16 0.88 -2.32 4.11 -4.23 0.14 -0.56 115.64 113.49 2pfe s THR 183 Ca 0.37 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 59.10 2pfe s THR 183 Cb -0.20 -2.35 0.53 0.00 1.34 0.00 0.00 72.50 71.82 2pfe s THR 183 CO 0.22 -0.30 1.69 0.35 -0.54 0.00 0.00 174.62 176.03 2pfe n THR 184 N -0.39 0.10 -2.03 3.99 -2.24 -0.67 -2.11 114.28 110.92 2pfe n THR 184 Ca -0.05 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 2pfe n THR 184 Cb 0.64 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2pfe n THR 184 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pfe s ALA 185 N -1.90 2.64 0.31 6.98 0.00 -1.26 -4.74 121.76 123.78 2pfe s ALA 185 Ca 0.35 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2pfe s ALA 185 Cb 0.19 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2pfe s ALA 185 CO 0.29 -0.93 0.50 0.00 0.00 0.00 0.00 175.76 175.62 2pfe s ALA 190 N -2.20 -0.85 0.18 0.00 0.00 -1.26 -4.89 121.76 112.74 2pfe s ALA 190 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2pfe s ALA 190 Cb -0.10 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2pfe s ALA 190 CO 0.34 -0.77 0.09 -1.21 0.00 0.00 0.00 175.76 174.20 2pfe s GLU 191 N -3.88 1.11 0.33 0.00 2.02 -1.26 -4.25 118.70 112.77 2pfe s GLU 191 Ca 0.09 -1.56 -0.28 0.00 0.02 0.00 0.00 54.97 53.24 2pfe s GLU 191 Cb -0.00 0.17 -0.12 0.00 0.10 0.00 0.00 34.13 34.27 2pfe s GLU 191 CO -0.03 -0.31 1.31 0.41 0.02 0.00 0.00 175.26 176.65 2pfe n GLY 192 N -0.22 0.64 0.00 -1.39 0.00 -1.26 -1.11 105.19 101.85 2pfe n GLY 192 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2pfe n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfe n GLY 193 N 0.89 3.07 0.06 -0.02 0.00 -1.26 -4.70 105.19 103.22 2pfe n GLY 193 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2pfe n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pfe n ASP 194 N 0.00 0.47 -4.77 1.61 8.00 -0.27 -2.97 116.55 118.63 2pfe n ASP 194 Ca 0.00 0.51 -0.40 0.00 0.71 0.00 0.00 54.79 55.60 2pfe n ASP 194 Cb 0.00 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.48 2pfe n ASP 194 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pfe s SER 195 N -3.86 6.49 0.00 -2.24 0.01 -1.26 -2.23 113.70 110.61 2pfe s SER 195 Ca 0.12 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2pfe s SER 195 Cb 0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2pfe s SER 195 CO 0.58 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2pfe n GLY 196 N 0.65 2.94 3.77 3.44 0.00 -0.05 -0.05 105.19 115.88 2pfe n GLY 196 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pfe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pfe s GLY 197 N -2.42 1.67 0.50 -0.02 0.00 -0.95 -2.33 107.32 103.77 2pfe s GLY 197 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 2pfe s GLY 197 CO 0.00 0.59 0.96 2.56 0.00 0.00 0.00 173.10 177.21 2pfe s PRO 198 N -4.91 3.94 -0.07 2.90 0.04 -1.23 -0.87 135.00 134.80 2pfe s PRO 198 Ca 0.61 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.61 2pfe s PRO 198 Cb -0.17 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 2pfe s PRO 198 CO 0.56 -0.23 -0.24 -1.58 0.04 0.00 0.00 177.00 175.54 2pfe s TRP 199 N -2.58 2.44 -0.02 0.56 0.52 -0.33 -1.62 118.94 117.91 2pfe s TRP 199 Ca 0.58 -0.81 0.04 0.00 0.02 0.00 0.00 56.10 55.93 2pfe s TRP 199 Cb -0.10 -1.61 -0.00 0.00 -1.15 0.00 0.00 33.47 30.61 2pfe s TRP 199 CO 0.30 -0.27 -0.13 -0.51 0.02 0.00 0.00 176.95 176.36 2pfe s LEU 200 N -0.01 1.92 -0.33 2.99 1.43 0.52 -0.26 118.68 124.95 2pfe s LEU 200 Ca -0.08 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2pfe s LEU 200 Cb -0.15 -0.72 0.06 0.00 0.03 0.00 0.00 46.19 45.40 2pfe s LEU 200 CO 0.05 0.13 0.06 -0.89 0.23 0.00 0.00 176.35 175.94 2pfe s THR 201 N -0.08 3.30 0.00 5.49 2.01 -0.55 -0.93 115.64 124.88 2pfe s THR 201 Ca 0.01 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.61 2pfe s THR 201 Cb -0.08 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2pfe s THR 201 CO 0.00 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 2pfe n GLY 201 N 4.68 3.94 1.17 4.40 0.00 -1.26 -1.60 105.19 116.52 2pfe n GLY 201 Ca -0.11 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2pfe n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pfe n SER 207 N 6.72 3.40 -4.50 1.61 3.41 -1.26 -4.91 113.62 118.08 2pfe n SER 207 Ca 0.00 -2.07 -0.38 0.00 -0.26 0.00 0.00 58.87 56.16 2pfe n SER 207 Cb 0.00 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.41 2pfe n SER 207 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pfe s GLN 208 N -1.31 3.64 0.26 4.33 -1.52 -0.63 -1.16 119.66 123.28 2pfe s GLN 208 Ca 0.41 -0.51 -0.30 0.00 -1.95 0.00 0.00 55.36 53.00 2pfe s GLN 208 Cb 0.22 -3.56 -0.11 0.00 -0.22 0.00 0.00 33.01 29.34 2pfe s GLN 208 CO 0.26 -0.28 1.61 0.00 -0.25 0.00 0.00 175.29 176.63 2pfe s ALA 209 N 1.68 3.78 -0.08 6.09 0.00 0.22 -1.48 121.76 131.96 2pfe s ALA 209 Ca 0.06 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.59 2pfe s ALA 209 Cb -0.16 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 2pfe s ALA 209 CO 0.08 -0.94 -0.06 1.04 0.00 0.00 0.00 175.76 175.88 2pfe n GLN 210 N 2.68 0.79 -3.28 0.00 1.13 0.65 -4.32 117.38 115.03 2pfe n GLN 210 Ca 0.10 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2pfe n GLN 210 Cb 0.37 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.55 2pfe n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pfe n GLY 211 N 2.97 -1.51 3.25 1.08 0.00 -1.24 -1.47 105.19 108.27 2pfe n GLY 211 Ca -0.15 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2pfe n GLY 211 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pfe s VAL 212 N -2.29 1.61 0.05 1.61 -7.23 -0.23 -1.18 120.40 112.74 2pfe s VAL 212 Ca 0.00 -1.27 -0.31 0.00 -1.81 0.00 0.00 61.98 58.59 2pfe s VAL 212 Cb 0.00 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 2pfe s VAL 212 CO 0.00 0.11 1.55 -0.89 -0.31 0.00 0.00 175.10 175.55 2pfe s THR 213 N -0.91 3.27 -0.21 5.32 2.01 -0.05 -0.80 115.64 124.26 2pfe s THR 213 Ca 0.06 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.81 2pfe s THR 213 Cb -0.09 -3.46 -0.15 0.00 0.01 0.00 0.00 72.50 68.81 2pfe s THR 213 CO 0.02 0.00 -0.18 -0.24 -0.69 0.00 0.00 174.62 173.54 2pfe n SER 214 N 5.37 2.24 0.00 3.53 2.88 -0.10 -0.87 113.62 126.67 2pfe n SER 214 Ca 0.15 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2pfe n SER 214 Cb 0.42 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2pfe n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pfe n GLY 215 N 2.44 -1.42 0.00 0.46 0.00 -1.09 -4.96 105.19 100.62 2pfe n GLY 215 Ca -0.38 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2pfe n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfe n GLY 216 N -0.14 -0.90 3.05 -0.02 0.00 -1.26 -0.54 105.19 105.37 2pfe n GLY 216 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2pfe n GLY 216 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pfe s THR 217 N -2.97 0.34 0.00 2.61 -1.32 -0.50 -5.00 115.64 108.81 2pfe s THR 217 Ca 0.00 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2pfe s THR 217 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2pfe s THR 217 CO 0.00 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.45 2pfe n GLY 218 N 1.16 -0.63 2.62 6.08 0.00 -1.26 -2.07 105.19 111.09 2pfe n GLY 218 Ca -0.21 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 2pfe n GLY 218 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pfe n ASP 219 N 0.31 -1.54 -0.32 1.61 5.68 -0.87 -4.84 116.55 116.58 2pfe n ASP 219 Ca 0.00 -2.16 0.13 0.00 -0.50 0.00 0.00 54.79 52.26 2pfe n ASP 219 Cb 0.00 2.58 0.40 0.00 -1.14 0.00 0.00 41.12 42.97 2pfe n ASP 219 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pfe h ARG 220 N 1.57 0.06 0.00 0.00 2.43 -1.97 -3.39 114.38 113.08 2pfe h ARG 220 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2pfe h ARG 220 Cb 0.52 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2pfe h ARG 220 CO 0.00 0.99 -0.67 0.43 -1.51 0.00 0.00 179.97 179.22 2pfe n SER 222 N -4.55 0.70 0.00 -3.80 7.64 -1.26 -5.11 113.62 107.25 2pfe n SER 222 Ca -0.10 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2pfe n SER 222 Cb 0.51 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 2pfe n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pfe n GLY 223 N 1.33 1.45 0.00 0.23 0.00 -0.03 -4.96 105.19 103.21 2pfe n GLY 223 Ca 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2pfe n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfe n GLY 224 N 1.35 -0.62 3.26 -0.02 0.00 -1.23 -2.06 105.19 105.87 2pfe n GLY 224 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 2pfe n GLY 224 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pfe s ILE 225 N -3.00 1.34 -0.04 -0.61 -4.36 -0.88 -4.57 121.20 109.08 2pfe s ILE 225 Ca 0.00 -1.96 -0.05 0.00 -0.26 0.00 0.00 60.65 58.38 2pfe s ILE 225 Cb 0.00 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.96 2pfe s ILE 225 CO 0.00 -0.59 0.13 -0.89 0.24 0.00 0.00 174.94 173.83 2pfe s THR 226 N -2.80 0.02 -0.09 8.37 2.01 -0.90 -1.40 115.64 120.86 2pfe s THR 226 Ca 0.15 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 2pfe s THR 226 Cb -0.01 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2pfe s THR 226 CO 0.03 -0.10 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.47 2pfe s PHE 227 N -0.31 3.07 0.09 4.92 0.40 0.30 -0.69 117.98 125.77 2pfe s PHE 227 Ca -0.04 0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.48 2pfe s PHE 227 Cb -0.03 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2pfe s PHE 227 CO 0.00 0.37 -0.24 -0.59 0.70 0.00 0.00 175.22 175.47 2pfe s PHE 228 N -0.73 2.39 -0.34 0.36 -0.12 -0.18 -0.93 117.98 118.44 2pfe s PHE 228 Ca 0.11 -0.35 -0.26 0.00 -0.05 0.00 0.00 56.93 56.39 2pfe s PHE 228 Cb -0.11 -1.33 0.01 0.00 -0.63 0.00 0.00 43.02 40.95 2pfe s PHE 228 CO 0.02 0.28 0.91 -1.14 -0.05 0.00 0.00 175.22 175.24 2pfe s GLN 229 N -1.79 3.92 0.40 1.99 2.00 0.02 -1.14 119.66 125.06 2pfe s GLN 229 Ca 0.14 0.67 -0.26 0.00 -2.00 0.00 0.00 55.36 53.92 2pfe s GLN 229 Cb -0.10 -3.77 -0.11 0.00 0.80 0.00 0.00 33.01 29.83 2pfe s GLN 229 CO 0.06 -0.85 1.14 -2.30 -0.50 0.00 0.00 175.29 172.84 2pfe n PRO 230 N 6.60 1.67 0.06 1.67 -0.02 -1.26 -1.07 135.00 142.65 2pfe n PRO 230 Ca 0.07 0.59 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 2pfe n PRO 230 Cb 0.48 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 2pfe n PRO 230 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2pfe h ILE 231 N 1.92 1.35 -0.59 4.25 6.09 -1.57 -3.31 117.51 125.65 2pfe h ILE 231 Ca -0.45 -2.36 -0.02 0.00 -1.37 0.00 0.00 64.86 60.65 2pfe h ILE 231 Cb 1.31 2.39 -0.03 0.00 0.47 0.00 0.00 36.82 40.97 2pfe h ILE 231 CO 0.59 0.72 0.28 0.78 -3.07 0.00 0.00 178.15 177.45 2pfe h ASN 232 N 0.30 0.78 -0.44 2.19 2.35 -1.90 -0.76 115.58 118.10 2pfe h ASN 232 Ca -0.10 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2pfe h ASN 232 Cb 1.62 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.76 2pfe h ASN 232 CO 0.18 0.69 0.29 -0.65 -1.65 0.00 0.00 177.43 176.29 2pfe h PRO 233 N 0.81 0.45 -0.15 0.81 0.11 -1.98 -1.18 132.00 130.87 2pfe h PRO 233 Ca 0.20 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2pfe h PRO 233 Cb 0.12 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2pfe h PRO 233 CO -0.03 0.30 -0.06 1.25 -0.21 0.00 0.00 178.00 179.25 2pfe h LEU 234 N 0.46 0.32 -0.71 2.35 6.46 -1.36 -0.52 115.31 122.32 2pfe h LEU 234 Ca 0.18 -0.40 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 2pfe h LEU 234 Cb 0.14 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2pfe h LEU 234 CO -0.04 0.65 0.23 -0.07 -0.62 0.00 0.00 178.44 178.59 2pfe h LEU 235 N -0.01 1.02 -0.10 2.25 3.38 -0.96 -2.49 115.31 118.39 2pfe h LEU 235 Ca 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2pfe h LEU 235 Cb 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pfe h LEU 235 CO 0.02 0.94 0.02 0.28 0.09 0.00 0.00 178.44 179.79 2pfe h SER 236 N 1.03 0.16 -0.62 -0.43 0.02 -1.16 0.79 113.55 113.34 2pfe h SER 236 Ca 0.23 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2pfe h SER 236 Cb 0.28 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2pfe h SER 236 CO -0.01 0.36 0.41 0.22 -1.14 0.00 0.00 176.83 176.67 2pfe h TYR 237 N -0.05 0.78 -0.08 3.45 3.20 -0.90 -2.67 116.97 120.69 2pfe h TYR 237 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2pfe h TYR 237 Cb 0.27 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2pfe h TYR 237 CO 0.01 0.48 0.00 1.19 -1.64 0.00 0.00 178.16 178.21 2pfe n PHE 238 N -4.66 0.08 -3.40 -3.82 3.01 -0.95 -4.97 117.46 102.75 2pfe n PHE 238 Ca 0.05 -0.04 -0.17 0.00 1.01 0.00 0.00 57.45 58.30 2pfe n PHE 238 Cb 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.58 2pfe n PHE 238 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pfe n GLY 239 N 1.22 -0.34 3.67 1.37 0.00 -0.51 -5.02 105.19 105.58 2pfe n GLY 239 Ca 0.17 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2pfe n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pfe s LEU 240 N -6.27 3.41 -0.15 0.99 1.43 0.16 -4.76 118.68 113.49 2pfe s LEU 240 Ca 0.00 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2pfe s LEU 240 Cb -0.00 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2pfe s LEU 240 CO 0.72 0.18 -0.06 -1.10 0.23 0.00 0.00 176.35 176.31 2pfe s GLN 241 N -2.28 3.57 0.21 1.70 1.11 0.08 -4.68 119.66 119.37 2pfe s GLN 241 Ca 0.25 -0.57 -0.30 0.00 0.01 0.00 0.00 55.36 54.75 2pfe s GLN 241 Cb -0.12 -2.85 -0.09 0.00 -1.01 0.00 0.00 33.01 28.95 2pfe s GLN 241 CO 0.18 0.20 1.32 -1.17 0.01 0.00 0.00 175.29 175.83 2pfe s LEU 242 N 0.45 4.41 -0.24 2.90 2.96 -1.26 -0.68 118.68 127.21 2pfe s LEU 242 Ca -0.05 2.44 -0.28 0.00 -0.22 0.00 0.00 54.13 56.02 2pfe s LEU 242 Cb -0.15 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.94 2pfe s LEU 242 CO 0.03 -0.55 0.99 -0.69 -1.32 0.00 0.00 176.35 174.82 2pfe s VAL 243 N 0.06 4.70 0.23 1.68 1.01 -0.85 -4.88 120.40 122.35 2pfe s VAL 243 Ca 0.57 1.88 0.09 0.00 0.00 0.00 0.00 61.98 64.52 2pfe s VAL 243 Cb -0.37 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2pfe s VAL 243 CO 0.39 -0.19 -0.17 0.42 0.00 0.00 0.00 175.10 175.56 2pfe s THR 244 N 3.16 2.01 0.00 3.92 -4.23 -1.26 -4.41 115.64 114.83 2pfe s THR 244 Ca 0.42 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2pfe s THR 244 Cb -0.15 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2pfe s THR 244 CO 0.07 -0.51 0.15 0.61 -0.54 0.00 0.00 174.62 174.40