#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 4.78 -0.06 0.00 -1.09 0.62 -4.87 121.20 120.59 2pfe s ILE 16 Ca 0.00 0.93 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 2pfe s ILE 16 Cb 0.00 -4.16 0.02 0.00 -1.58 0.00 0.00 42.46 36.74 2pfe s ILE 16 CO 0.00 -0.35 -0.08 -0.63 -1.23 0.00 0.00 174.94 172.65 2pfe s ILE 17 N 2.98 0.85 0.37 2.92 1.01 -1.26 -3.12 121.20 124.96 2pfe s ILE 17 Ca 0.30 -0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 2pfe s ILE 17 Cb -0.14 -0.82 -0.11 0.00 0.01 0.00 0.00 42.46 41.40 2pfe s ILE 17 CO 0.15 0.30 1.44 0.61 0.00 0.00 0.00 174.94 177.43 2pfe n GLY 18 N 4.00 1.04 1.01 6.18 0.00 0.00 -2.39 105.19 115.04 2pfe n GLY 18 Ca -0.23 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.53 2.27 3.81 -0.02 0.00 0.87 -0.18 105.19 112.47 2pfe n GLY 19 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.68 6.49 0.58 1.61 0.01 -1.01 -2.25 114.94 118.69 2pfe s ASN 31 Ca 0.00 1.80 -0.18 0.00 -0.71 0.00 0.00 52.86 53.77 2pfe s ASN 31 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2pfe s ASN 31 CO 0.00 -0.68 1.10 -2.16 -1.51 0.00 0.00 177.10 173.85 2pfe s PRO 32 N -3.42 3.24 0.08 -0.60 0.04 -1.26 -0.44 135.00 132.63 2pfe s PRO 32 Ca 0.64 1.45 0.02 0.00 0.04 0.00 0.00 61.00 63.15 2pfe s PRO 32 Cb -0.13 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2pfe s PRO 32 CO 0.21 -0.91 -0.07 1.52 0.04 0.00 0.00 177.00 177.79 2pfe s TYR 33 N -2.07 0.81 0.06 0.56 -0.85 0.01 -4.63 117.35 111.24 2pfe s TYR 33 Ca 0.69 -0.78 0.06 0.00 -0.52 0.00 0.00 57.07 56.51 2pfe s TYR 33 Cb -0.21 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 2pfe s TYR 33 CO 0.32 -0.13 -0.16 0.71 -1.52 0.00 0.00 175.55 174.76 2pfe s TYR 34 N -2.91 1.41 -0.25 -3.49 1.51 -0.41 -1.59 117.35 111.61 2pfe s TYR 34 Ca 0.05 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.63 2pfe s TYR 34 Cb 0.00 -0.82 0.11 0.00 -0.11 0.00 0.00 41.96 41.15 2pfe s TYR 34 CO -0.03 0.07 0.56 -0.59 -1.11 0.00 0.00 175.55 174.45 2pfe s PHE 35 N -0.98 -1.09 0.00 2.71 -0.12 -0.88 0.61 117.98 118.24 2pfe s PHE 35 Ca 0.03 1.97 0.00 0.00 -0.05 0.00 0.00 56.93 58.87 2pfe s PHE 35 Cb -0.09 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 2pfe s PHE 35 CO 0.02 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 2pfe n GLY 36 N 5.28 3.53 0.10 1.99 0.00 -1.26 -0.65 105.19 114.18 2pfe n GLY 36 Ca -0.12 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 6.15 0.32 -4.39 1.61 5.15 -1.26 -4.95 115.26 117.88 2pfe n ASN 39 Ca 0.00 -0.89 -0.20 0.00 -0.60 0.00 0.00 54.58 52.88 2pfe n ASN 39 Cb 0.00 -0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.10 2pfe n ASN 39 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2pfe s TYR 40 N -2.15 1.91 -0.05 1.20 1.51 0.18 -5.14 117.35 114.81 2pfe s TYR 40 Ca 0.41 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2pfe s TYR 40 Cb 0.21 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2pfe s TYR 40 CO 0.39 0.45 -0.13 0.50 -1.11 0.00 0.00 175.55 175.65 2pfe s ARG 41 N -3.62 1.58 0.40 -0.62 3.52 -1.26 -2.06 118.95 116.89 2pfe s ARG 41 Ca 0.26 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2pfe s ARG 41 Cb -0.01 -1.35 -0.03 0.00 -1.56 0.00 0.00 34.95 32.00 2pfe s ARG 41 CO 0.10 0.12 0.10 0.00 -0.81 0.00 0.00 175.30 174.82 2pfe s SER 43 N -3.61 4.94 0.22 0.00 0.01 0.67 -0.81 113.70 115.11 2pfe s SER 43 Ca 0.24 0.01 -0.32 0.00 1.31 0.00 0.00 55.95 57.19 2pfe s SER 43 Cb 0.03 -1.48 -0.13 0.00 0.21 0.00 0.00 66.02 64.66 2pfe s SER 43 CO 0.14 0.31 1.63 -0.38 0.41 0.00 0.00 173.24 175.34 2pfe n ILE 44 N 2.60 0.31 0.00 1.44 5.41 0.42 -2.92 119.36 126.62 2pfe n ILE 44 Ca -0.18 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.49 2pfe n ILE 44 Cb 0.53 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 3.27 1.71 2.86 7.39 0.00 0.04 -0.09 105.19 120.36 2pfe n GLY 44 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.03 0.29 1.61 0.40 -1.11 -3.99 117.98 115.20 2pfe s PHE 45 Ca 0.00 0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 2pfe s PHE 45 Cb 0.00 -0.06 -0.12 0.00 0.51 0.00 0.00 43.02 43.35 2pfe s PHE 45 CO 0.00 -0.02 1.52 0.43 0.70 0.00 0.00 175.22 177.85 2pfe n SER 46 N 3.25 3.51 -4.21 1.36 7.64 -1.26 0.04 113.62 123.96 2pfe n SER 46 Ca -0.15 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.77 2pfe n SER 46 Cb 0.58 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 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 -0.20 0.53 0.16 0.44 -7.23 -0.08 -1.66 120.40 112.37 2pfe s VAL 47 Ca 0.63 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.94 2pfe s VAL 47 Cb -0.53 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2pfe s VAL 47 CO 0.51 -0.52 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.45 2pfe s ARG 48 N -3.94 1.30 -0.26 4.82 0.52 0.45 -1.51 118.95 120.34 2pfe s ARG 48 Ca 0.23 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.03 2pfe s ARG 48 Cb 0.06 -1.49 0.09 0.00 0.52 0.00 0.00 34.95 34.13 2pfe s ARG 48 CO 0.02 0.32 0.10 -1.14 0.02 0.00 0.00 175.30 174.62 2pfe s GLN 48 N -2.54 0.39 6.13 3.54 0.74 -0.42 -0.52 119.66 126.99 2pfe s GLN 48 Ca 0.15 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.99 2pfe s GLN 48 Cb -0.07 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.38 2pfe s GLN 48 CO 0.07 -0.88 0.00 0.41 -0.55 0.00 0.00 175.29 174.34 2pfe n GLY 48 N 5.12 2.63 0.50 2.59 0.00 -1.26 -0.13 105.19 114.63 2pfe n GLY 48 Ca -0.06 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 9.80 1.88 -4.85 1.61 3.41 -1.26 -4.93 113.62 119.28 2pfe n SER 48 Ca 0.00 -1.43 -0.32 0.00 -0.26 0.00 0.00 58.87 56.86 2pfe n SER 48 Cb 0.00 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.39 3.99 0.13 4.33 -0.21 0.82 -5.10 119.66 121.23 2pfe s GLN 49 Ca 0.22 0.76 0.07 0.00 0.02 0.00 0.00 55.36 56.43 2pfe s GLN 49 Cb 0.19 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 2pfe s GLN 49 CO 0.51 0.01 -0.16 0.95 -2.12 0.00 0.00 175.29 174.48 2pfe s THR 50 N -2.20 1.49 0.00 -0.19 -4.23 -1.26 -1.30 115.64 107.94 2pfe s THR 50 Ca 0.56 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2pfe s THR 50 Cb -0.10 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2pfe s THR 50 CO 0.22 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2pfe n GLY 51 N 0.56 1.29 3.09 3.99 0.00 -0.57 -1.32 105.19 112.24 2pfe n GLY 51 Ca -0.16 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 -0.10 0.47 1.61 -0.12 -0.09 -0.90 117.98 116.85 2pfe s PHE 52 Ca 0.00 0.22 -0.22 0.00 -0.05 0.00 0.00 56.93 56.88 2pfe s PHE 52 Cb 0.00 0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 42.33 2pfe s PHE 52 CO 0.00 -0.19 1.09 0.00 -0.05 0.00 0.00 175.22 176.07 2pfe s ALA 53 N -0.59 2.91 0.26 1.99 0.00 0.11 -0.87 121.76 125.57 2pfe s ALA 53 Ca -0.07 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 2pfe s ALA 53 Cb -0.04 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.81 2pfe s ALA 53 CO 0.01 -0.45 0.49 -2.37 0.00 0.00 0.00 175.76 173.44 2pfe n THR 54 N -0.71 0.00 -2.68 0.00 5.66 -0.56 -0.78 114.28 115.20 2pfe n THR 54 Ca 0.08 -0.75 -0.40 0.00 -3.05 0.00 0.00 64.05 59.93 2pfe n THR 54 Cb 0.51 0.67 -0.06 0.00 -1.55 0.00 0.00 70.33 69.90 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 -1.83 3.35 0.40 1.79 0.00 -1.26 -1.68 121.76 122.53 2pfe s ALA 55 Ca 0.12 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.83 2pfe s ALA 55 Cb -0.03 -3.24 0.83 0.00 0.00 0.00 0.00 23.12 20.68 2pfe s ALA 55 CO 0.09 0.11 2.03 0.78 0.00 0.00 0.00 175.76 178.77 2pfe h GLY 56 N 4.16 0.55 2.00 0.00 0.00 -1.58 -2.70 103.07 105.50 2pfe h GLY 56 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2pfe h GLY 56 CO 0.68 0.22 0.00 -2.39 0.00 0.00 0.00 176.54 175.05 2pfe n HIS 57 N -4.44 0.27 0.44 5.60 1.44 -1.26 -2.56 115.22 114.70 2pfe n HIS 57 Ca 0.03 0.10 0.12 0.00 -2.01 0.00 0.00 57.72 55.96 2pfe n HIS 57 Cb 0.09 -0.66 0.48 0.00 0.12 0.00 0.00 29.99 30.02 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 0.31 2.98 3.89 0.00 0.00 -1.06 -5.03 105.19 106.28 2pfe n GLY 59 Ca 0.03 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 6.04 0.09 1.61 1.04 -1.26 -4.76 113.70 116.46 2pfe s SER 59 Ca 0.00 1.14 -0.37 0.00 0.48 0.00 0.00 55.95 57.20 2pfe s SER 59 Cb 0.00 -2.22 -0.17 0.00 0.10 0.00 0.00 66.02 63.73 2pfe s SER 59 CO 0.00 -0.88 1.34 0.41 0.98 0.00 0.00 173.24 175.09 2pfe n THR 59 N -2.62 0.03 -0.02 2.02 -1.04 -1.26 -1.78 114.28 109.60 2pfe n THR 59 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2pfe n THR 59 Cb 0.55 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 2.51 0.34 3.72 3.41 0.00 0.33 -4.99 105.19 110.51 2pfe n GLY 60 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2pfe n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pfe s THR 61 N -2.11 2.73 0.17 2.61 2.01 -0.74 -4.70 115.64 115.61 2pfe s THR 61 Ca 0.00 0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 2pfe s THR 61 Cb 0.00 -3.34 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 2pfe s THR 61 CO 0.00 0.04 0.91 0.00 -0.69 0.00 0.00 174.62 174.88 2pfe s ARG 62 N 1.14 4.74 0.18 4.92 1.04 -1.26 -0.19 118.95 129.52 2pfe s ARG 62 Ca 0.69 1.40 0.10 0.00 -1.04 0.00 0.00 55.73 56.88 2pfe s ARG 62 Cb -0.43 -3.32 -0.04 0.00 -2.04 0.00 0.00 34.95 29.12 2pfe s ARG 62 CO 0.31 0.40 -0.20 0.14 -0.04 0.00 0.00 175.30 175.91 2pfe s VAL 64 N -0.68 2.01 0.25 4.99 -7.23 0.70 -4.71 120.40 115.73 2pfe s VAL 64 Ca 0.42 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.72 2pfe s VAL 64 Cb -0.24 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2pfe s VAL 64 CO 0.30 -0.26 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.23 2pfe s SER 65 N -2.70 3.15 -0.74 4.85 0.01 0.20 -1.37 113.70 117.09 2pfe s SER 65 Ca 0.18 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.30 2pfe s SER 65 Cb -0.06 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2pfe s SER 65 CO 0.08 -0.08 0.62 -1.20 0.41 0.00 0.00 173.24 173.07 2pfe n SER 66 N -0.53 -4.97 -4.90 2.44 7.64 -1.26 -1.29 113.62 110.75 2pfe n SER 66 Ca -0.06 -0.80 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 2pfe n SER 66 Cb 0.61 -1.63 0.01 0.00 -1.01 0.00 0.00 64.21 62.18 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 -4.40 3.45 0.14 1.43 0.04 -1.26 -3.97 135.00 130.43 2pfe s PRO 67 Ca 0.09 0.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.11 2pfe s PRO 67 Cb -0.01 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2pfe s PRO 67 CO 0.89 -0.38 1.49 0.45 0.04 0.00 0.00 177.00 179.49 2pfe s SER 68 N -4.16 6.69 0.03 6.66 0.15 -1.26 -4.78 113.70 117.03 2pfe s SER 68 Ca 0.50 2.48 -0.25 0.00 0.70 0.00 0.00 55.95 59.39 2pfe s SER 68 Cb -0.10 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.70 2pfe s SER 68 CO 0.47 -0.75 1.15 0.61 1.20 0.00 0.00 173.24 175.93 2pfe n GLY 85 N 3.63 0.34 3.03 9.45 0.00 -0.47 -3.51 105.19 117.66 2pfe n GLY 85 Ca 0.13 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.04 0.56 -0.27 2.61 2.01 -0.59 -0.21 115.64 117.71 2pfe s THR 87 Ca 0.27 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2pfe s THR 87 Cb -0.01 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2pfe s THR 87 CO 0.01 -0.11 1.63 -0.69 -0.69 0.00 0.00 174.62 174.77 2pfe s VAL 88 N -0.77 3.68 -0.15 3.82 1.01 0.73 -0.31 120.40 128.41 2pfe s VAL 88 Ca -0.03 0.74 0.16 0.00 0.00 0.00 0.00 61.98 62.85 2pfe s VAL 88 Cb -0.06 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pfe s VAL 88 CO 0.00 -0.38 1.17 0.00 0.00 0.00 0.00 175.10 175.89 2pfe h ALA 88 N 11.21 0.66 -2.05 5.51 0.00 -1.24 0.95 119.26 134.29 2pfe h ALA 88 Ca -0.33 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 2pfe h ALA 88 Cb 1.15 0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 2pfe h ALA 88 CO 1.02 0.70 0.14 0.20 0.00 0.00 0.00 179.25 181.30 2pfe s GLY 89 N -4.59 -0.54 -0.29 0.00 0.00 -1.10 -4.86 107.32 95.95 2pfe s GLY 89 Ca 0.01 1.43 -0.14 0.00 0.00 0.00 0.00 44.72 46.03 2pfe s GLY 89 CO 0.77 1.11 0.67 -0.45 0.00 0.00 0.00 173.10 175.21 2pfe s SER 90 N -0.77 -1.03 -0.30 1.64 0.15 -1.26 -0.91 113.70 111.22 2pfe s SER 90 Ca -0.08 1.54 0.03 0.00 0.70 0.00 0.00 55.95 58.14 2pfe s SER 90 Cb -0.02 1.76 0.08 0.00 -1.71 0.00 0.00 66.02 66.14 2pfe s SER 90 CO 0.07 -0.23 0.00 -0.47 1.20 0.00 0.00 173.24 173.81 2pfe s TYR 91 N 2.15 3.16 -0.28 3.44 6.14 0.92 -4.66 117.35 128.22 2pfe s TYR 91 Ca -0.08 -2.48 -0.18 0.00 0.64 0.00 0.00 57.07 54.96 2pfe s TYR 91 Cb -0.08 -2.32 0.11 0.00 0.42 0.00 0.00 41.96 40.09 2pfe s TYR 91 CO -0.20 -0.90 0.85 0.12 0.64 0.00 0.00 175.55 176.07 2pfe s PHE 94 N 1.12 -0.76 0.00 4.97 5.36 -1.26 -1.68 117.98 125.74 2pfe s PHE 94 Ca 0.04 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2pfe s PHE 94 Cb -0.19 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2pfe s PHE 94 CO -0.09 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 172.95 2pfe n PRO 95 N 3.57 1.48 0.00 10.12 -0.04 -1.26 -4.94 135.00 143.92 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 4.08 2.03 1.69 0.55 0.00 0.46 -4.78 105.19 109.22 2pfe n GLY 100 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 1.15 -3.09 1.61 5.12 -1.26 -0.75 116.66 119.44 2pfe n ARG 101 Ca 0.00 -1.54 -0.20 0.00 -1.93 0.00 0.00 57.85 54.18 2pfe n ARG 101 Cb 0.00 0.18 -0.04 0.00 -1.16 0.00 0.00 32.46 31.44 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 -1.88 -0.48 -3.96 0.55 2.03 -1.15 -4.00 116.55 107.65 2pfe n ASP 102 Ca -0.01 -2.83 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 2pfe n ASP 102 Cb 0.28 -0.10 -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 -0.80 0.29 0.21 -0.67 0.23 -0.67 -3.07 119.30 114.82 2pfe s MET 103 Ca 0.34 -0.35 -0.23 0.00 -1.03 0.00 0.00 55.69 54.43 2pfe s MET 103 Cb 0.19 -0.14 0.06 0.00 -1.53 0.00 0.00 34.83 33.41 2pfe s MET 103 CO -0.14 0.03 0.92 0.20 -2.03 0.00 0.00 175.02 174.00 2pfe s GLY 104 N -0.70 -0.05 0.05 3.16 0.00 -0.67 -0.05 107.32 109.05 2pfe s GLY 104 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 2pfe s GLY 104 CO -0.00 0.49 0.23 0.66 0.00 0.00 0.00 173.10 174.48 2pfe s TRP 105 N -3.00 0.01 -0.14 1.90 1.48 -0.09 -1.50 118.94 117.61 2pfe s TRP 105 Ca 0.15 -0.23 -0.01 0.00 -1.06 0.00 0.00 56.10 54.95 2pfe s TRP 105 Cb -0.03 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.27 2pfe s TRP 105 CO 0.05 -0.46 -0.11 0.08 -4.06 0.00 0.00 176.95 172.44 2pfe s VAL 106 N -2.68 3.20 -0.11 -0.66 1.01 -0.05 -0.70 120.40 120.40 2pfe s VAL 106 Ca -0.04 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2pfe s VAL 106 Cb -0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2pfe s VAL 106 CO -0.04 0.52 0.58 -0.60 0.00 0.00 0.00 175.10 175.55 2pfe s ARG 107 N 0.37 4.35 0.45 2.72 3.52 0.58 -0.91 118.95 130.03 2pfe s ARG 107 Ca -0.09 0.62 0.06 0.00 -0.13 0.00 0.00 55.73 56.19 2pfe s ARG 107 Cb -0.16 -3.47 0.06 0.00 -1.56 0.00 0.00 34.95 29.83 2pfe s ARG 107 CO 0.05 0.05 0.49 0.44 -0.81 0.00 0.00 175.30 175.53 2pfe n ILE 108 N 3.90 0.00 -4.01 4.11 -5.35 -0.43 -1.54 119.36 116.03 2pfe n ILE 108 Ca -0.04 -1.61 -0.26 0.00 -0.27 0.00 0.00 62.75 60.57 2pfe n ILE 108 Cb 0.51 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 37.98 2pfe n ILE 108 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2pfe s THR 109 N -1.98 1.95 -0.35 7.28 -4.23 -1.23 -4.70 115.64 112.37 2pfe s THR 109 Ca 0.38 -1.59 0.22 0.00 -1.18 0.00 0.00 61.69 59.52 2pfe s THR 109 Cb -0.03 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.50 2pfe s THR 109 CO 0.24 0.00 1.66 -1.54 -0.54 0.00 0.00 174.62 174.44 2pfe n SER 110 N -1.52 0.59 0.24 3.99 3.41 -1.26 -2.22 113.62 116.84 2pfe n SER 110 Ca -0.03 0.71 0.16 0.00 -0.26 0.00 0.00 58.87 59.46 2pfe n SER 110 Cb 0.64 -0.81 0.82 0.00 -0.26 0.00 0.00 64.21 64.60 2pfe n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pfe h ALA 111 N 2.12 1.00 -2.55 7.33 0.00 -1.96 -3.44 119.26 121.76 2pfe h ALA 111 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2pfe h ALA 111 Cb 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 2pfe h ALA 111 CO 0.00 0.00 -0.75 -0.51 0.00 0.00 0.00 179.25 177.99 2pfe s ASP 112 N -4.69 2.47 -0.17 0.00 1.01 -0.94 -4.96 116.67 109.38 2pfe s ASP 112 Ca -0.02 -0.93 0.01 0.00 0.71 0.00 0.00 52.55 52.31 2pfe s ASP 112 Cb 0.09 -0.13 0.03 0.00 1.01 0.00 0.00 42.92 43.93 2pfe s ASP 112 CO 0.35 -0.13 -0.15 -0.89 0.21 0.00 0.00 175.17 174.56 2pfe s THR 113 N -2.55 1.71 0.26 -1.27 2.01 -1.26 -4.86 115.64 109.68 2pfe s THR 113 Ca 0.18 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2pfe s THR 113 Cb -0.03 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.76 2pfe s THR 113 CO 0.06 0.41 1.27 0.68 -0.69 0.00 0.00 174.62 176.35 2pfe s VAL 114 N 1.42 3.06 0.13 3.82 -7.23 -1.26 -0.27 120.40 120.06 2pfe s VAL 114 Ca 0.03 0.97 0.06 0.00 -1.81 0.00 0.00 61.98 61.23 2pfe s VAL 114 Cb -0.14 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2pfe s VAL 114 CO -0.11 0.20 -0.13 0.42 -0.31 0.00 0.00 175.10 175.17 2pfe s THR 119 N -0.60 1.29 -0.08 5.32 -4.23 -1.18 -4.86 115.64 111.29 2pfe s THR 119 Ca 0.52 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2pfe s THR 119 Cb -0.37 -1.57 0.11 0.00 1.34 0.00 0.00 72.50 72.01 2pfe s THR 119 CO 0.44 -0.48 1.33 -0.81 -0.54 0.00 0.00 174.62 174.57 2pfe n PRO 120 N 0.41 1.23 -4.27 3.99 -0.04 -1.26 -4.37 135.00 130.68 2pfe n PRO 120 Ca -0.15 -0.52 -0.28 0.00 -0.04 0.00 0.00 63.50 62.51 2pfe n PRO 120 Cb 0.58 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.58 2.93 -0.04 1.53 1.43 -1.26 -0.18 118.68 122.51 2pfe s LEU 120 Ca 0.10 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2pfe s LEU 120 Cb 0.08 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2pfe s LEU 120 CO 0.01 0.14 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 2pfe s VAL 120 N -1.46 1.55 -0.05 -1.59 1.01 -0.28 -0.82 120.40 118.77 2pfe s VAL 120 Ca 0.22 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2pfe s VAL 120 Cb -0.10 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2pfe s VAL 120 CO 0.14 0.44 1.48 0.21 0.00 0.00 0.00 175.10 177.37 2pfe s ASN 120 N -0.02 6.78 0.00 3.32 3.84 0.74 -0.87 114.94 128.74 2pfe s ASN 120 Ca -0.03 2.10 0.26 0.00 0.21 0.00 0.00 52.86 55.41 2pfe s ASN 120 Cb -0.12 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.81 2pfe s ASN 120 CO 0.02 -0.81 1.58 -1.14 -2.79 0.00 0.00 177.10 173.96 2pfe n ARG 120 N 6.26 0.49 -1.83 0.43 3.00 -0.58 -4.81 116.66 119.62 2pfe n ARG 120 Ca 0.15 -0.26 -0.20 0.00 -0.00 0.00 0.00 57.85 57.54 2pfe n ARG 120 Cb 0.43 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.34 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 -1.03 -0.34 0.00 -0.14 4.02 -1.26 -4.59 117.16 113.82 2pfe n TYR 120 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2pfe n TYR 120 Cb 0.33 -3.54 0.00 0.00 -0.02 0.00 0.00 39.34 36.11 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 -1.51 3.92 0.00 7.72 0.23 -1.26 -4.90 115.26 119.46 2pfe n ASN 120 Ca -0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 2pfe n ASN 120 Cb 0.67 0.41 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 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 2.44 -1.73 3.24 4.83 0.00 -1.26 -5.27 105.19 107.44 2pfe n GLY 120 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 0.38 -0.02 2.61 -4.23 -1.26 -1.52 115.64 111.59 2pfe s THR 120 Ca 0.00 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 2pfe s THR 120 Cb 0.00 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 2pfe s THR 120 CO 0.00 -0.20 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.95 2pfe s VAL 120 N -3.88 1.95 -0.13 2.29 1.01 -0.05 -4.79 120.40 116.81 2pfe s VAL 120 Ca 0.32 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2pfe s VAL 120 Cb 0.07 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2pfe s VAL 120 CO 0.09 0.55 0.55 -0.89 0.00 0.00 0.00 175.10 175.40 2pfe s THR 120 N -0.54 5.13 -0.18 3.92 2.01 -1.26 -1.13 115.64 123.59 2pfe s THR 120 Ca 0.08 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.90 2pfe s THR 120 Cb -0.10 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2pfe s THR 120 CO -0.01 0.26 0.91 -0.69 -0.69 0.00 0.00 174.62 174.41 2pfe s VAL 121 N 0.95 4.81 -0.48 3.82 1.01 0.75 -4.61 120.40 126.64 2pfe s VAL 121 Ca 0.29 1.80 0.10 0.00 0.00 0.00 0.00 61.98 64.17 2pfe s VAL 121 Cb -0.16 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 2pfe s VAL 121 CO 0.12 -0.04 0.44 0.35 0.00 0.00 0.00 175.10 175.97 2pfe n THR 122 N 4.89 0.00 -2.94 3.92 -2.24 -0.34 -0.80 114.28 116.76 2pfe n THR 122 Ca 0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2pfe n THR 122 Cb 0.48 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.26 -1.28 2.61 3.38 0.00 -1.23 -4.76 105.19 105.16 2pfe n GLY 123 Ca 0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 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 0.55 2.51 -4.65 1.61 3.41 -1.26 -0.73 113.62 115.06 2pfe n SER 124 Ca 0.00 -2.55 -0.42 0.00 -0.26 0.00 0.00 58.87 55.64 2pfe n SER 124 Cb 0.00 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.71 4.05 0.16 4.33 0.74 -1.26 -4.82 119.66 119.16 2pfe s GLN 125 Ca 0.34 2.33 -0.31 0.00 0.05 0.00 0.00 55.36 57.77 2pfe s GLN 125 Cb 0.35 -4.10 -0.09 0.00 1.10 0.00 0.00 33.01 30.27 2pfe s GLN 125 CO -0.02 -1.03 1.49 -2.00 -0.55 0.00 0.00 175.29 173.18 2pfe s GLU 129 N 4.47 4.26 0.47 1.67 2.12 -1.26 -4.75 118.70 125.67 2pfe s GLU 129 Ca 0.82 2.26 -0.17 0.00 0.36 0.00 0.00 54.97 58.24 2pfe s GLU 129 Cb -0.37 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 2pfe s GLU 129 CO 0.36 -0.52 0.94 0.00 -0.54 0.00 0.00 175.26 175.50 2pfe s ALA 130 N 0.92 3.09 0.54 6.30 0.00 -1.26 -5.05 121.76 126.30 2pfe s ALA 130 Ca 0.66 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 2pfe s ALA 130 Cb -0.41 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2pfe s ALA 130 CO 0.33 -0.08 1.02 0.00 0.00 0.00 0.00 175.76 177.04 2pfe s ALA 131 N -2.44 2.90 0.23 0.00 0.00 -1.26 -4.97 121.76 116.22 2pfe s ALA 131 Ca 0.59 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 2pfe s ALA 131 Cb -0.10 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 2pfe s ALA 131 CO 0.25 -0.47 1.28 2.41 0.00 0.00 0.00 175.76 179.24 2pfe n THR 132 N -1.61 1.08 0.00 0.00 -1.04 -1.26 -1.69 114.28 109.75 2pfe n THR 132 Ca 0.08 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2pfe n THR 132 Cb 0.53 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 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 1.96 1.21 3.77 3.41 0.00 0.61 -5.03 105.19 111.12 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 -2.09 5.79 0.69 1.61 0.15 -0.68 -4.64 113.70 114.53 2pfe s SER 134 Ca 0.00 2.20 -0.15 0.00 0.70 0.00 0.00 55.95 58.70 2pfe s SER 134 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2pfe s SER 134 CO 0.00 -1.18 1.16 -0.55 1.20 0.00 0.00 173.24 173.88 2pfe s SER 135 N -1.70 4.66 -0.06 5.45 0.15 -1.26 -0.65 113.70 120.29 2pfe s SER 135 Ca 0.71 2.20 -0.27 0.00 0.70 0.00 0.00 55.95 59.29 2pfe s SER 135 Cb -0.25 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.55 2pfe s SER 135 CO 0.28 -1.94 0.59 0.54 1.20 0.00 0.00 173.24 173.92 2pfe s VAL 136 N -2.12 0.01 0.09 4.45 0.11 -0.29 -4.67 120.40 117.98 2pfe s VAL 136 Ca 0.71 -0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.72 2pfe s VAL 136 Cb -0.25 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2pfe s VAL 136 CO 0.43 -0.06 -0.18 0.00 -3.33 0.00 0.00 175.10 171.96 2pfe s ARG 138 N -1.83 1.37 -0.03 0.00 1.70 0.63 -0.34 118.95 120.45 2pfe s ARG 138 Ca 0.02 -1.43 0.06 0.00 -0.47 0.00 0.00 55.73 53.92 2pfe s ARG 138 Cb -0.10 -1.60 -0.01 0.00 -0.57 0.00 0.00 34.95 32.67 2pfe s ARG 138 CO 0.03 0.34 -0.23 0.45 -1.08 0.00 0.00 175.30 174.82 2pfe s SER 139 N -2.55 2.73 0.19 -2.89 0.15 -0.53 -1.22 113.70 109.58 2pfe s SER 139 Ca 0.17 -0.44 -0.23 0.00 0.70 0.00 0.00 55.95 56.15 2pfe s SER 139 Cb -0.07 -0.52 0.05 0.00 -1.71 0.00 0.00 66.02 63.77 2pfe s SER 139 CO 0.08 0.25 0.73 -0.83 1.20 0.00 0.00 173.24 174.67 2pfe s GLY 140 N -0.33 -0.33 0.47 9.45 0.00 -0.33 -3.51 107.32 112.75 2pfe s GLY 140 Ca 0.03 0.17 0.27 0.00 0.00 0.00 0.00 44.72 45.19 2pfe s GLY 140 CO 0.01 0.06 1.81 0.00 0.00 0.00 0.00 173.10 174.97 2pfe h ALA 141 N 2.00 0.98 0.04 3.20 0.00 -1.59 -0.68 119.26 123.21 2pfe h ALA 141 Ca -0.25 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 2pfe h ALA 141 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2pfe h ALA 141 CO 0.29 0.12 -1.75 2.41 0.00 0.00 0.00 179.25 180.33 2pfe n THR 142 N -3.18 1.61 0.45 0.00 -1.04 -1.26 -4.60 114.28 106.25 2pfe n THR 142 Ca 0.01 -0.31 0.05 0.00 -2.04 0.00 0.00 64.05 61.77 2pfe n THR 142 Cb 0.43 -1.88 0.04 0.00 -1.82 0.00 0.00 70.33 67.10 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 -4.04 0.00 -0.35 12.58 -2.24 -1.24 -5.07 114.28 113.92 2pfe n THR 143 Ca -0.36 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2pfe n THR 143 Cb 0.84 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 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 0.63 1.06 3.49 3.38 0.00 -0.26 -4.71 105.19 108.78 2pfe n GLY 156 Ca 0.06 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 3.12 0.01 1.61 -0.11 -1.26 -1.18 118.94 121.13 2pfe s TRP 157 Ca 0.00 -0.29 0.01 0.00 1.22 0.00 0.00 56.10 57.04 2pfe s TRP 157 Cb 0.00 -2.25 -0.01 0.00 -1.50 0.00 0.00 33.47 29.71 2pfe s TRP 157 CO 0.00 -0.28 -0.05 1.03 -4.62 0.00 0.00 176.95 173.03 2pfe s ARG 158 N 1.54 0.37 0.27 5.86 1.81 -0.36 -4.99 118.95 123.46 2pfe s ARG 158 Ca 0.06 -0.34 0.07 0.00 -1.72 0.00 0.00 55.73 53.81 2pfe s ARG 158 Cb -0.15 -0.27 -0.06 0.00 -0.45 0.00 0.00 34.95 34.02 2pfe s ARG 158 CO 0.05 0.06 -0.09 0.00 -0.68 0.00 0.00 175.30 174.64 2pfe n GLY 160 N -0.56 1.90 3.17 0.00 0.00 0.07 -4.28 105.19 105.49 2pfe n GLY 160 Ca -0.06 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2pfe n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pfe s THR 161 N -1.88 1.40 -0.17 2.61 2.01 -1.26 -1.13 115.64 117.22 2pfe s THR 161 Ca 0.00 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 2pfe s THR 161 Cb 0.00 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2pfe s THR 161 CO 0.00 0.40 1.31 -0.63 -0.69 0.00 0.00 174.62 175.00 2pfe s ILE 162 N -0.36 4.20 -0.25 1.82 1.01 0.18 -1.68 121.20 126.11 2pfe s ILE 162 Ca 0.06 1.44 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 2pfe s ILE 162 Cb -0.07 -3.96 -0.16 0.00 0.01 0.00 0.00 42.46 38.28 2pfe s ILE 162 CO -0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 174.94 174.58 2pfe n GLN 163 N 6.72 0.64 -3.63 2.79 6.02 0.45 -0.28 117.38 130.09 2pfe n GLN 163 Ca 0.14 0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2pfe n GLN 163 Cb 0.45 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 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 -6.86 -0.76 0.37 1.08 0.15 -1.15 -4.73 113.70 101.79 2pfe s SER 164 Ca -0.35 1.41 0.08 0.00 0.70 0.00 0.00 55.95 57.79 2pfe s SER 164 Cb 0.10 1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 65.80 2pfe s SER 164 CO 0.58 -0.24 0.34 -0.54 1.20 0.00 0.00 173.24 174.59 2pfe s LYS 165 N 0.65 2.67 -1.35 5.44 1.02 -1.26 -0.39 119.74 126.51 2pfe s LYS 165 Ca -0.02 -1.38 -0.05 0.00 0.02 0.00 0.00 55.97 54.54 2pfe s LYS 165 Cb -0.05 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2pfe s LYS 165 CO -0.04 -0.03 0.95 -1.71 -0.92 0.00 0.00 175.35 173.59 2pfe n ASN 166 N -1.47 -3.43 -4.87 2.83 5.15 -0.82 -4.93 115.26 107.73 2pfe n ASN 166 Ca 0.01 -0.70 -0.35 0.00 -0.60 0.00 0.00 54.58 52.93 2pfe n ASN 166 Cb 0.60 -4.47 -0.06 0.00 -0.53 0.00 0.00 39.78 35.33 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 -6.08 3.73 -0.18 1.20 -1.52 0.98 -4.47 119.66 113.31 2pfe s GLN 167 Ca 0.30 0.14 -0.08 0.00 -1.95 0.00 0.00 55.36 53.77 2pfe s GLN 167 Cb -0.14 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 2pfe s GLN 167 CO 0.78 0.62 0.08 0.99 -0.25 0.00 0.00 175.29 177.51 2pfe s THR 168 N -1.29 4.92 -0.09 -0.19 2.01 -1.26 -1.32 115.64 118.43 2pfe s THR 168 Ca 0.29 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.32 2pfe s THR 168 Cb -0.14 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.17 2pfe s THR 168 CO 0.16 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.72 2pfe s VAL 169 N 0.26 1.39 -1.25 3.82 1.01 0.37 -4.99 120.40 121.01 2pfe s VAL 169 Ca 0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2pfe s VAL 169 Cb -0.12 -1.26 0.16 0.00 0.00 0.00 0.00 36.38 35.16 2pfe s VAL 169 CO -0.00 0.41 1.61 0.54 0.00 0.00 0.00 175.10 177.66 2pfe n ARG 170 N 3.93 3.40 -0.92 2.72 1.74 -1.26 -0.93 116.66 125.33 2pfe n ARG 170 Ca -0.21 -3.67 -0.31 0.00 -0.77 0.00 0.00 57.85 52.89 2pfe n ARG 170 Cb 0.52 -3.07 0.14 0.00 -1.02 0.00 0.00 32.46 29.03 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 1.60 1.95 0.47 -1.55 4.12 -1.13 -4.90 117.35 117.90 2pfe s TYR 171 Ca 0.43 1.71 0.13 0.00 0.02 0.00 0.00 57.07 59.36 2pfe s TYR 171 Cb 0.02 -3.26 1.09 0.00 -1.52 0.00 0.00 41.96 38.29 2pfe s TYR 171 CO 0.01 -2.48 2.08 0.00 0.02 0.00 0.00 175.55 175.18 2pfe h ALA 173 N -1.53 1.94 0.00 3.71 0.00 -2.03 -1.43 119.26 119.93 2pfe h ALA 173 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2pfe h ALA 173 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pfe h ALA 173 CO 0.45 0.02 -0.20 0.39 0.00 0.00 0.00 179.25 179.91 2pfe n GLU 174 N -4.49 0.09 0.00 0.00 4.71 -1.26 -5.00 120.64 114.69 2pfe n GLU 174 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 2pfe n GLU 174 Cb 0.17 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 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 1.44 3.83 3.74 0.62 0.00 -0.54 -4.76 105.19 109.53 2pfe n GLY 175 Ca 0.06 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 3.86 -0.06 2.61 2.01 -1.26 -2.86 115.64 117.95 2pfe s THR 176 Ca 0.00 1.71 0.06 0.00 0.31 0.00 0.00 61.69 63.77 2pfe s THR 176 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2pfe s THR 176 CO 0.00 0.34 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.33 2pfe s VAL 177 N -0.61 2.02 0.43 3.82 1.01 -0.11 -0.40 120.40 126.56 2pfe s VAL 177 Ca 0.46 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2pfe s VAL 177 Cb -0.29 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2pfe s VAL 177 CO 0.35 0.56 0.15 0.42 0.00 0.00 0.00 175.10 176.58 2pfe s THR 178 N -0.12 2.10 -0.41 3.92 -4.23 0.07 -0.47 115.64 116.50 2pfe s THR 178 Ca -0.05 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2pfe s THR 178 Cb -0.14 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.83 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 -1.22 0.65 3.85 3.99 0.00 -1.05 -4.70 105.19 106.71 2pfe n GLY 179 Ca -0.03 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.87 3.90 -0.23 0.99 1.43 -0.43 -4.31 118.68 119.16 2pfe s LEU 180 Ca 0.00 1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 54.34 2pfe s LEU 180 Cb 0.00 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2pfe s LEU 180 CO 0.00 -0.35 0.10 -0.89 0.23 0.00 0.00 176.35 175.45 2pfe s THR 181 N -2.23 4.78 0.04 5.49 2.01 -0.23 -0.01 115.64 125.48 2pfe s THR 181 Ca 0.55 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 2pfe s THR 181 Cb -0.10 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 2pfe s THR 181 CO 0.24 0.36 0.64 -0.60 -0.69 0.00 0.00 174.62 174.56 2pfe s ARG 182 N 1.21 4.34 0.20 4.92 3.52 0.48 -1.00 118.95 132.62 2pfe s ARG 182 Ca 0.05 0.83 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2pfe s ARG 182 Cb -0.14 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2pfe s ARG 182 CO 0.04 0.44 0.03 0.95 -0.81 0.00 0.00 175.30 175.95 2pfe s THR 183 N -0.48 0.65 -2.31 4.11 -4.23 -0.49 -0.41 115.64 112.48 2pfe s THR 183 Ca 0.32 -1.99 0.23 0.00 -1.18 0.00 0.00 61.69 59.08 2pfe s THR 183 Cb -0.19 -2.27 0.51 0.00 1.34 0.00 0.00 72.50 71.88 2pfe s THR 183 CO 0.19 -0.34 1.64 0.35 -0.54 0.00 0.00 174.62 175.93 2pfe n THR 184 N -0.31 0.13 -2.12 3.99 -2.24 -0.68 -2.10 114.28 110.96 2pfe n THR 184 Ca -0.05 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 2pfe n THR 184 Cb 0.64 0.33 0.01 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.87 2.69 0.21 6.98 0.00 -1.26 -4.75 121.76 123.75 2pfe s ALA 185 Ca 0.34 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2pfe s ALA 185 Cb 0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2pfe s ALA 185 CO 0.28 -0.82 0.41 0.00 0.00 0.00 0.00 175.76 175.63 2pfe s ALA 190 N -1.89 -0.61 0.16 0.00 0.00 -1.26 -4.87 121.76 113.28 2pfe s ALA 190 Ca 0.39 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2pfe s ALA 190 Cb -0.11 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2pfe s ALA 190 CO 0.29 -0.74 0.03 -1.21 0.00 0.00 0.00 175.76 174.13 2pfe s GLU 191 N -3.90 1.05 0.29 0.00 2.02 -1.26 -4.26 118.70 112.64 2pfe s GLU 191 Ca 0.12 -1.51 -0.28 0.00 0.02 0.00 0.00 54.97 53.31 2pfe s GLU 191 Cb 0.01 -0.03 -0.14 0.00 0.10 0.00 0.00 34.13 34.07 2pfe s GLU 191 CO -0.02 -0.20 1.09 0.41 0.02 0.00 0.00 175.26 176.55 2pfe n GLY 192 N -0.19 -0.05 0.14 -1.39 0.00 -1.26 -1.23 105.19 101.21 2pfe n GLY 192 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 1.22 3.19 0.04 -0.02 0.00 -1.26 -4.72 105.19 103.64 2pfe n GLY 193 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 0.02 0.31 -4.77 1.61 8.00 -0.36 -2.85 116.55 118.50 2pfe n ASP 194 Ca 0.00 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.62 2pfe n ASP 194 Cb 0.00 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.58 6.54 0.00 -2.24 0.01 -1.26 -2.17 113.70 111.00 2pfe s SER 195 Ca 0.12 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.25 2pfe s SER 195 Cb 0.16 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2pfe s SER 195 CO 0.54 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2pfe n GLY 196 N 0.98 3.11 3.77 3.44 0.00 -0.14 -0.24 105.19 116.10 2pfe n GLY 196 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.58 1.66 0.47 -0.02 0.00 -0.92 -2.28 107.32 103.66 2pfe s GLY 197 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 2pfe s GLY 197 CO 0.00 0.51 0.98 2.56 0.00 0.00 0.00 173.10 177.15 2pfe s PRO 198 N -4.95 4.04 -0.08 2.90 0.04 -1.23 -0.89 135.00 134.83 2pfe s PRO 198 Ca 0.61 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2pfe s PRO 198 Cb -0.17 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2pfe s PRO 198 CO 0.56 -0.20 -0.21 -1.58 0.04 0.00 0.00 177.00 175.62 2pfe s TRP 199 N -2.32 2.57 -0.02 0.56 0.52 -0.31 -1.45 118.94 118.48 2pfe s TRP 199 Ca 0.62 -0.66 0.03 0.00 0.02 0.00 0.00 56.10 56.10 2pfe s TRP 199 Cb -0.10 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 2pfe s TRP 199 CO 0.21 -0.18 -0.11 -0.51 0.02 0.00 0.00 176.95 176.38 2pfe s LEU 200 N -0.07 1.88 -0.36 2.99 1.43 0.54 -0.34 118.68 124.75 2pfe s LEU 200 Ca -0.05 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2pfe s LEU 200 Cb -0.14 -0.62 0.07 0.00 0.03 0.00 0.00 46.19 45.52 2pfe s LEU 200 CO 0.04 0.10 0.12 -0.89 0.23 0.00 0.00 176.35 175.95 2pfe s THR 201 N 0.03 3.44 0.00 5.49 2.01 -0.73 -0.93 115.64 124.95 2pfe s THR 201 Ca -0.01 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.48 2pfe s THR 201 Cb -0.08 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2pfe s THR 201 CO 0.00 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 2pfe n GLY 201 N 4.70 3.65 0.81 4.40 0.00 -1.26 -1.75 105.19 115.75 2pfe n GLY 201 Ca -0.09 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 5.76 2.38 -4.52 1.61 3.41 -1.26 -4.90 113.62 116.10 2pfe n SER 207 Ca 0.00 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 2pfe n SER 207 Cb 0.00 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.49 3.73 0.27 4.33 -1.52 -0.72 -1.20 119.66 123.06 2pfe s GLN 208 Ca 0.32 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 2pfe s GLN 208 Cb 0.17 -3.56 -0.12 0.00 -0.22 0.00 0.00 33.01 29.28 2pfe s GLN 208 CO 0.23 -0.24 1.60 0.00 -0.25 0.00 0.00 175.29 176.63 2pfe n ALA 209 N 5.01 2.48 -0.03 6.09 0.00 0.09 -1.78 120.51 132.38 2pfe n ALA 209 Ca -0.14 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 2pfe n ALA 209 Cb 0.51 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 2pfe n ALA 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pfe n GLN 210 N 2.45 0.85 -3.30 0.00 1.13 0.54 -4.36 117.38 114.69 2pfe n GLN 210 Ca 0.10 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 2pfe n GLN 210 Cb 0.36 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.59 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 3.11 -1.47 3.21 1.08 0.00 -1.24 -1.55 105.19 108.33 2pfe n GLY 211 Ca -0.10 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.49 1.41 0.08 1.61 -7.23 -0.31 -1.17 120.40 112.30 2pfe s VAL 212 Ca 0.00 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.67 2pfe s VAL 212 Cb 0.00 -1.26 -0.08 0.00 0.56 0.00 0.00 36.38 35.60 2pfe s VAL 212 CO 0.00 0.04 1.53 -0.89 -0.31 0.00 0.00 175.10 175.47 2pfe s THR 213 N -0.93 3.17 -0.23 5.32 2.01 -0.07 -0.92 115.64 123.99 2pfe s THR 213 Ca 0.04 0.70 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 2pfe s THR 213 Cb -0.09 -3.45 -0.13 0.00 0.01 0.00 0.00 72.50 68.84 2pfe s THR 213 CO 0.02 0.02 -0.24 -0.24 -0.69 0.00 0.00 174.62 173.49 2pfe n SER 214 N 4.99 2.05 0.00 3.53 2.88 -0.29 -0.97 113.62 125.81 2pfe n SER 214 Ca 0.14 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2pfe n SER 214 Cb 0.41 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 2.08 -1.34 0.00 0.46 0.00 -1.09 -4.97 105.19 100.33 2pfe n GLY 215 Ca -0.43 -0.96 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 -0.08 -0.77 3.03 -0.02 0.00 -1.26 -0.46 105.19 105.63 2pfe n GLY 216 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.12 0.00 2.61 -1.32 -0.40 -5.00 115.64 108.67 2pfe s THR 217 Ca 0.00 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2pfe s THR 217 Cb 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2pfe s THR 217 CO 0.00 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 2pfe n GLY 218 N 1.36 -0.75 1.80 6.08 0.00 -1.26 -1.69 105.19 110.72 2pfe n GLY 218 Ca -0.22 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 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 0.18 -1.06 -0.39 1.61 5.68 -0.90 -4.84 116.55 116.84 2pfe n ASP 219 Ca 0.00 -1.79 0.13 0.00 -0.50 0.00 0.00 54.79 52.63 2pfe n ASP 219 Cb 0.00 1.78 0.37 0.00 -1.14 0.00 0.00 41.12 42.12 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 1.91 0.27 0.00 0.00 2.43 -1.97 -3.40 114.38 113.62 2pfe h ARG 220 Ca 0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2pfe h ARG 220 Cb 0.56 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2pfe h ARG 220 CO 0.00 1.22 -0.86 0.43 -1.51 0.00 0.00 179.97 179.25 2pfe n SER 222 N -4.17 1.42 0.00 -3.80 7.64 -1.26 -5.12 113.62 108.34 2pfe n SER 222 Ca -0.14 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2pfe n SER 222 Cb 0.79 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 65.18 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 1.53 1.63 0.00 0.23 0.00 -0.23 -4.96 105.19 103.38 2pfe n GLY 223 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.08 -0.73 3.21 -0.02 0.00 -1.24 -2.12 105.19 105.37 2pfe n GLY 224 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 1.22 -0.07 -0.61 -4.36 -0.68 -4.58 121.20 109.12 2pfe s ILE 225 Ca 0.00 -1.59 -0.04 0.00 -0.26 0.00 0.00 60.65 58.76 2pfe s ILE 225 Cb 0.00 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.36 2pfe s ILE 225 CO 0.00 -0.37 0.16 -0.89 0.24 0.00 0.00 174.94 174.08 2pfe s THR 226 N -1.92 -0.03 -0.11 8.37 2.01 -0.89 -1.28 115.64 121.79 2pfe s THR 226 Ca 0.05 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2pfe s THR 226 Cb -0.06 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2pfe s THR 226 CO 0.02 0.04 0.13 -0.36 -0.69 0.00 0.00 174.62 173.76 2pfe s PHE 227 N 0.76 3.55 0.10 4.92 0.40 0.39 -1.40 117.98 126.71 2pfe s PHE 227 Ca -0.06 0.49 0.10 0.00 -0.60 0.00 0.00 56.93 56.86 2pfe s PHE 227 Cb -0.07 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2pfe s PHE 227 CO -0.04 0.71 -0.23 -0.59 0.70 0.00 0.00 175.22 175.77 2pfe s PHE 228 N -1.02 2.41 -0.30 0.36 -0.12 -0.17 -1.14 117.98 117.99 2pfe s PHE 228 Ca 0.15 -0.34 -0.27 0.00 -0.05 0.00 0.00 56.93 56.43 2pfe s PHE 228 Cb -0.12 -1.32 0.01 0.00 -0.63 0.00 0.00 43.02 40.96 2pfe s PHE 228 CO 0.04 0.31 0.96 -1.14 -0.05 0.00 0.00 175.22 175.35 2pfe s GLN 229 N -1.90 4.05 0.40 1.99 2.00 -0.10 -1.07 119.66 125.04 2pfe s GLN 229 Ca 0.15 0.92 -0.25 0.00 -2.00 0.00 0.00 55.36 54.17 2pfe s GLN 229 Cb -0.10 -3.72 -0.11 0.00 0.80 0.00 0.00 33.01 29.88 2pfe s GLN 229 CO 0.07 -0.78 1.14 -2.30 -0.50 0.00 0.00 175.29 172.91 2pfe n PRO 230 N 6.55 1.65 0.07 1.67 -0.02 -1.26 -1.16 135.00 142.50 2pfe n PRO 230 Ca 0.09 0.59 -0.16 0.00 -2.02 0.00 0.00 63.50 61.99 2pfe n PRO 230 Cb 0.47 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.89 1.37 -0.58 4.25 2.10 -1.60 -3.31 117.51 121.64 2pfe h ILE 231 Ca -0.46 -2.49 -0.02 0.00 1.08 0.00 0.00 64.86 62.98 2pfe h ILE 231 Cb 1.32 2.52 -0.03 0.00 -1.09 0.00 0.00 36.82 39.54 2pfe h ILE 231 CO 0.59 0.75 0.29 0.78 -1.08 0.00 0.00 178.15 179.48 2pfe h ASN 232 N 0.25 0.74 -0.65 2.19 2.35 -1.90 -1.10 115.58 117.46 2pfe h ASN 232 Ca -0.11 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2pfe h ASN 232 Cb 1.70 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 2pfe h ASN 232 CO 0.19 0.64 0.43 -0.65 -1.65 0.00 0.00 177.43 176.39 2pfe h PRO 233 N 0.78 0.63 0.17 0.81 0.11 -1.98 -0.54 132.00 131.98 2pfe h PRO 233 Ca 0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2pfe h PRO 233 Cb 0.09 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2pfe h PRO 233 CO -0.03 0.42 -0.08 1.25 -0.21 0.00 0.00 178.00 179.35 2pfe h LEU 234 N 0.65 -0.19 -0.66 2.35 6.46 -1.41 -0.03 115.31 122.48 2pfe h LEU 234 Ca 0.28 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2pfe h LEU 234 Cb 0.26 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2pfe h LEU 234 CO -0.09 -0.02 0.35 -0.07 -0.62 0.00 0.00 178.44 177.99 2pfe h LEU 235 N -0.35 0.84 -0.06 2.25 3.38 -1.03 -2.36 115.31 117.97 2pfe h LEU 235 Ca -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pfe h LEU 235 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pfe h LEU 235 CO 0.04 0.70 0.02 0.77 0.09 0.00 0.00 178.44 180.06 2pfe h SER 236 N 0.91 0.09 -0.65 -0.43 4.64 -1.01 -0.21 113.55 116.90 2pfe h SER 236 Ca 0.23 -0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2pfe h SER 236 Cb 0.06 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2pfe h SER 236 CO -0.03 0.25 0.40 0.22 -0.87 0.00 0.00 176.83 176.79 2pfe h TYR 237 N -0.08 0.75 -0.08 4.77 3.20 -0.83 -2.86 116.97 121.84 2pfe h TYR 237 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2pfe h TYR 237 Cb 0.19 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2pfe h TYR 237 CO -0.01 0.42 0.00 1.19 -1.64 0.00 0.00 178.16 178.12 2pfe n PHE 238 N -4.71 0.08 -3.31 -3.82 0.99 -0.90 -4.97 117.46 100.82 2pfe n PHE 238 Ca 0.06 -0.04 -0.16 0.00 -0.00 0.00 0.00 57.45 57.32 2pfe n PHE 238 Cb 0.08 0.00 0.08 0.00 -1.00 0.00 0.00 39.48 38.64 2pfe n PHE 238 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pfe n GLY 239 N 1.28 -0.29 3.64 1.37 0.00 -0.44 -5.01 105.19 105.73 2pfe n GLY 239 Ca 0.17 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.00 3.28 -0.23 0.99 1.43 -0.22 -4.76 118.68 113.18 2pfe s LEU 240 Ca 0.05 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2pfe s LEU 240 Cb -0.02 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2pfe s LEU 240 CO 0.66 0.19 0.06 -1.58 0.23 0.00 0.00 176.35 175.91 2pfe s GLN 241 N -2.13 3.69 0.23 1.70 0.74 0.33 -4.73 119.66 119.49 2pfe s GLN 241 Ca 0.23 -0.47 -0.31 0.00 0.05 0.00 0.00 55.36 54.86 2pfe s GLN 241 Cb -0.11 -3.26 -0.11 0.00 1.10 0.00 0.00 33.01 30.63 2pfe s GLN 241 CO 0.15 -0.09 1.56 -1.17 -0.55 0.00 0.00 175.29 175.19 2pfe s LEU 242 N 1.33 4.37 -0.39 3.68 2.96 -1.26 -0.41 118.68 128.95 2pfe s LEU 242 Ca 0.05 2.76 -0.29 0.00 -0.22 0.00 0.00 54.13 56.42 2pfe s LEU 242 Cb -0.15 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2pfe s LEU 242 CO 0.03 -0.83 1.18 -0.69 -1.32 0.00 0.00 176.35 174.71 2pfe s VAL 243 N 0.50 4.26 0.28 1.68 1.01 -0.66 -4.87 120.40 122.60 2pfe s VAL 243 Ca 0.66 1.36 0.10 0.00 0.00 0.00 0.00 61.98 64.10 2pfe s VAL 243 Cb -0.45 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 2pfe s VAL 243 CO 0.39 -0.73 -0.04 0.42 0.00 0.00 0.00 175.10 175.14 2pfe s THR 244 N 4.30 3.14 0.00 3.92 -4.23 -1.26 -4.37 115.64 117.14 2pfe s THR 244 Ca 0.50 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2pfe s THR 244 Cb -0.11 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2pfe s THR 244 CO 0.25 -0.36 0.10 0.61 -0.54 0.00 0.00 174.62 174.69