#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s ILE 2 N 0.00 4.07 0.05 3.17 -1.09 0.67 -4.92 121.20 123.15 3i8f s ILE 2 Ca 0.00 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 57.65 3i8f s ILE 2 Cb 0.00 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3i8f s ILE 2 CO 0.00 0.33 0.14 0.00 -1.23 0.00 0.00 174.94 174.18 3i8f s GLN 3 N -1.69 0.68 -0.41 2.79 -2.07 -1.26 0.57 119.66 118.26 3i8f s GLN 3 Ca 0.20 -0.80 -0.39 0.00 -1.82 0.00 0.00 55.36 52.56 3i8f s GLN 3 Cb -0.11 0.27 -0.15 0.00 -1.09 0.00 0.00 33.01 31.93 3i8f s GLN 3 CO 0.12 -0.19 2.17 -0.35 -1.32 0.00 0.00 175.29 175.72 3i8f n PRO 4 N 0.51 0.62 0.00 9.60 -0.04 -1.26 -0.61 135.00 143.82 3i8f n PRO 4 Ca -0.18 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3i8f n PRO 4 Cb 0.60 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 3i8f n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i8f n GLN 5 N 7.91 0.00 -2.01 0.54 -0.06 -0.10 -4.95 117.38 118.72 3i8f n GLN 5 Ca 0.47 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 55.09 3i8f n GLN 5 Cb 0.12 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.31 3i8f n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3i8f s THR 6 N -0.64 2.55 -0.22 1.69 2.01 0.22 -4.62 115.64 116.63 3i8f s THR 6 Ca 0.00 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 3i8f s THR 6 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 3i8f s THR 6 CO 0.00 0.01 0.04 -0.31 -0.69 0.00 0.00 174.62 173.68 3i8f s TYR 7 N -1.38 3.10 0.27 4.92 1.51 -1.26 -0.24 117.35 124.26 3i8f s TYR 7 Ca 0.65 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.46 3i8f s TYR 7 Cb -0.36 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 3i8f s TYR 7 CO 0.44 -0.22 0.17 -0.51 -1.11 0.00 0.00 175.55 174.32 3i8f s LEU 8 N 1.16 3.66 0.60 -1.29 2.01 0.15 -4.79 118.68 120.19 3i8f s LEU 8 Ca 0.04 -0.36 0.04 0.00 0.01 0.00 0.00 54.13 53.85 3i8f s LEU 8 Cb -0.14 -2.20 0.08 0.00 0.01 0.00 0.00 46.19 43.93 3i8f s LEU 8 CO 0.03 -0.08 0.83 -1.61 1.01 0.00 0.00 176.35 176.53 3i8f s GLU 9 N -3.83 2.19 -0.20 1.70 8.01 -1.16 -2.23 118.70 123.18 3i8f s GLU 9 Ca 0.34 -1.21 -0.01 0.00 0.01 0.00 0.00 54.97 54.10 3i8f s GLU 9 Cb -0.07 -2.51 0.05 0.00 -4.31 0.00 0.00 34.13 27.29 3i8f s GLU 9 CO 0.24 -0.97 -0.02 0.14 0.01 0.00 0.00 175.26 174.66 3i8f s VAL 10 N -2.82 1.05 -0.95 2.63 -7.23 -1.09 -1.01 120.40 110.98 3i8f s VAL 10 Ca 0.62 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.81 3i8f s VAL 10 Cb -0.07 -1.37 0.16 0.00 0.56 0.00 0.00 36.38 35.65 3i8f s VAL 10 CO 0.40 -0.07 1.09 0.00 -0.31 0.00 0.00 175.10 176.22 3i8f s ALA 11 N 1.63 3.65 0.00 1.32 0.00 -0.48 -4.87 121.76 123.01 3i8f s ALA 11 Ca -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 48.93 3i8f s ALA 11 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3i8f s ALA 11 CO -0.07 -2.78 0.00 -0.40 0.00 0.00 0.00 175.76 172.51 3i8f n ASP 12 N 5.75 0.00 -3.83 0.00 3.85 -1.26 -3.73 116.55 117.33 3i8f n ASP 12 Ca 0.24 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 54.01 3i8f n ASP 12 Cb 0.47 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.16 3i8f n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3i8f n ASN 13 N 0.00 3.77 -0.40 -1.12 0.23 -1.25 -4.65 115.26 111.84 3i8f n ASN 13 Ca 0.00 -3.27 0.11 0.00 -0.53 0.00 0.00 54.58 50.88 3i8f n ASN 13 Cb 0.00 -0.85 -0.02 0.00 -2.08 0.00 0.00 39.78 36.83 3i8f n ASN 13 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3i8f n THR 14 N 1.69 0.00 0.00 5.53 -1.04 -1.26 -4.55 114.28 114.65 3i8f n THR 14 Ca 0.24 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i8f n THR 14 Cb 0.37 1.21 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 3i8f n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8f n GLY 15 N 1.41 2.91 3.77 3.41 0.00 -1.26 -3.14 105.19 112.29 3i8f n GLY 15 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3i8f n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f s ALA 16 N -2.47 3.27 -0.09 4.61 0.00 -1.26 0.12 121.76 125.94 3i8f s ALA 16 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3i8f s ALA 16 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3i8f s ALA 16 CO 0.00 -0.26 -0.08 0.54 0.00 0.00 0.00 175.76 175.96 3i8f n ARG 17 N 0.62 0.22 -4.51 0.00 1.74 -0.07 -4.79 116.66 109.87 3i8f n ARG 17 Ca 0.02 0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 3i8f n ARG 17 Cb 0.46 -1.14 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 3i8f n ARG 17 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i8f s LYS 18 N -2.18 1.06 0.04 5.56 1.02 -0.97 -2.67 119.74 121.59 3i8f s LYS 18 Ca -0.12 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.48 3i8f s LYS 18 Cb 0.03 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.32 3i8f s LYS 18 CO 0.20 0.20 -0.06 0.96 -0.92 0.00 0.00 175.35 175.73 3i8f s ILE 19 N -0.05 0.39 -0.09 2.17 -4.36 -0.95 -1.02 121.20 117.29 3i8f s ILE 19 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 3i8f s ILE 19 Cb -0.07 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.98 3i8f s ILE 19 CO 0.00 -0.50 -0.08 -0.32 0.24 0.00 0.00 174.94 174.28 3i8f s MET 20 N -1.87 2.98 0.19 0.37 -2.45 -0.94 0.30 119.30 117.86 3i8f s MET 20 Ca -0.09 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 53.47 3i8f s MET 20 Cb -0.08 -2.64 -0.08 0.00 1.25 0.00 0.00 34.83 33.28 3i8f s MET 20 CO -0.01 0.53 1.30 0.00 1.05 0.00 0.00 175.02 177.88 3i8f n ILE 22 N 2.74 1.12 -3.92 0.00 2.08 0.19 -0.93 119.36 120.64 3i8f n ILE 22 Ca 0.06 -0.40 -0.09 0.00 0.56 0.00 0.00 62.75 62.88 3i8f n ILE 22 Cb 0.43 -1.29 -0.05 0.00 -0.75 0.00 0.00 39.64 37.98 3i8f n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3i8f s ARG 23 N -2.39 1.45 -0.13 0.38 6.06 -0.42 -4.66 118.95 119.23 3i8f s ARG 23 Ca -0.27 -1.12 0.01 0.00 -2.50 0.00 0.00 55.73 51.85 3i8f s ARG 23 Cb 0.07 0.47 0.02 0.00 0.06 0.00 0.00 34.95 35.58 3i8f s ARG 23 CO 0.43 -0.60 -0.16 0.54 -2.50 0.00 0.00 175.30 173.02 3i8f s VAL 24 N -3.97 1.61 -0.94 7.11 0.11 -1.26 -1.77 120.40 121.29 3i8f s VAL 24 Ca 0.17 -0.69 -0.20 0.00 -2.93 0.00 0.00 61.98 58.33 3i8f s VAL 24 Cb -0.00 -1.48 0.11 0.00 -1.53 0.00 0.00 36.38 33.47 3i8f s VAL 24 CO 0.04 0.46 1.20 -0.76 -3.33 0.00 0.00 175.10 172.72 3i8f s LEU 25 N 1.16 4.64 0.00 2.54 1.43 0.19 -4.77 118.68 123.87 3i8f s LEU 25 Ca -0.02 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.22 3i8f s LEU 25 Cb -0.14 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3i8f s LEU 25 CO -0.05 -1.19 0.00 0.29 0.23 0.00 0.00 176.35 175.63 3i8f n LYS 26 N 7.18 0.00 0.00 1.70 5.02 -1.26 -4.44 118.16 126.35 3i8f n LYS 26 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3i8f n LYS 26 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3i8f n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8f n GLY 27 N 0.00 -2.39 0.21 0.72 0.00 -1.26 -4.90 105.19 97.57 3i8f n GLY 27 Ca 0.00 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.73 3i8f n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8f h SER 28 N -0.78 0.00 -0.16 1.61 4.64 -2.01 -3.30 113.55 113.54 3i8f h SER 28 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3i8f h SER 28 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 3i8f h SER 28 CO 0.00 0.00 -0.94 -0.46 -0.87 0.00 0.00 176.83 174.56 3i8f n ASN 29 N -2.87 1.61 -4.68 4.97 0.23 -1.26 -5.08 115.26 108.18 3i8f n ASN 29 Ca 0.03 -2.52 -0.53 0.00 -0.53 0.00 0.00 54.58 51.02 3i8f n ASN 29 Cb 0.40 -0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 3i8f n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i8f n ALA 30 N -0.17 0.33 0.02 -2.53 0.00 -1.25 -4.86 120.51 112.06 3i8f n ALA 30 Ca 0.12 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3i8f n ALA 30 Cb 0.97 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 3i8f n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i8f h LYS 31 N 8.38 0.06 -3.00 0.00 1.57 -1.95 -3.46 116.57 118.17 3i8f h LYS 31 Ca -0.46 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.06 3i8f h LYS 31 Cb 1.30 0.04 -0.26 0.00 0.08 0.00 0.00 32.23 33.39 3i8f h LYS 31 CO 0.96 0.81 -0.38 0.71 -0.57 0.00 0.00 179.45 180.98 3i8f s TYR 32 N -2.64 -0.34 -0.01 -1.35 1.51 -1.26 -4.67 117.35 108.59 3i8f s TYR 32 Ca -0.04 0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 56.81 3i8f s TYR 32 Cb 0.08 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 42.00 3i8f s TYR 32 CO 0.83 -0.18 0.18 0.00 -1.11 0.00 0.00 175.55 175.27 3i8f s ALA 33 N 0.37 3.94 0.43 3.71 0.00 0.19 -4.87 121.76 125.53 3i8f s ALA 33 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3i8f s ALA 33 Cb -0.03 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 3i8f s ALA 33 CO -0.02 0.74 0.14 -0.08 0.00 0.00 0.00 175.76 176.54 3i8f s THR 34 N -1.31 0.55 0.49 0.00 -1.32 -1.26 -0.24 115.64 112.54 3i8f s THR 34 Ca 0.27 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.55 3i8f s THR 34 Cb -0.13 -2.27 -0.13 0.00 -1.51 0.00 0.00 72.50 68.46 3i8f s THR 34 CO 0.18 0.00 0.19 0.52 -2.21 0.00 0.00 174.62 173.30 3i8f n VAL 35 N -0.97 0.99 -1.68 5.08 0.31 -1.26 -1.67 118.33 119.13 3i8f n VAL 35 Ca -0.07 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 3i8f n VAL 35 Cb 0.65 -0.26 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 3i8f n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8f n GLY 36 N 2.17 0.98 3.45 2.92 0.00 0.27 -4.88 105.19 110.10 3i8f n GLY 36 Ca 0.10 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3i8f n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8f s ASP 37 N -2.70 3.77 0.26 1.61 1.01 -0.67 -4.87 116.67 115.09 3i8f s ASP 37 Ca 0.00 -0.39 -0.22 0.00 0.71 0.00 0.00 52.55 52.65 3i8f s ASP 37 Cb 0.00 -0.63 -0.09 0.00 1.01 0.00 0.00 42.92 43.21 3i8f s ASP 37 CO 0.00 0.28 0.81 0.68 0.21 0.00 0.00 175.17 177.15 3i8f s VAL 38 N -0.86 4.43 -0.08 -1.27 -7.23 -1.26 -1.45 120.40 112.67 3i8f s VAL 38 Ca 0.14 1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 61.64 3i8f s VAL 38 Cb -0.10 -3.92 0.04 0.00 0.56 0.00 0.00 36.38 32.95 3i8f s VAL 38 CO 0.04 0.18 0.40 0.27 -0.31 0.00 0.00 175.10 175.68 3i8f s ILE 39 N -1.56 0.02 -0.17 -0.62 -4.36 0.75 -0.64 121.20 114.64 3i8f s ILE 39 Ca 0.46 -0.21 -0.20 0.00 -0.26 0.00 0.00 60.65 60.45 3i8f s ILE 39 Cb -0.17 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.86 3i8f s ILE 39 CO 0.22 -0.11 0.56 -0.69 0.24 0.00 0.00 174.94 175.16 3i8f s VAL 40 N -0.61 5.10 0.10 8.37 1.01 -0.73 -1.02 120.40 132.62 3i8f s VAL 40 Ca -0.07 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.01 3i8f s VAL 40 Cb -0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3i8f s VAL 40 CO 0.03 0.20 -0.08 0.00 0.00 0.00 0.00 175.10 175.25 3i8f s ALA 41 N 1.38 1.04 -0.29 5.51 0.00 0.48 0.54 121.76 130.41 3i8f s ALA 41 Ca 0.27 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3i8f s ALA 41 Cb -0.16 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3i8f s ALA 41 CO 0.11 -0.14 0.12 0.45 0.00 0.00 0.00 175.76 176.29 3i8f s SER 42 N -2.77 5.38 0.37 0.00 0.15 -0.27 0.69 113.70 117.26 3i8f s SER 42 Ca 0.09 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 56.00 3i8f s SER 42 Cb 0.01 -1.96 -0.11 0.00 -1.71 0.00 0.00 66.02 62.25 3i8f s SER 42 CO -0.02 -0.15 1.33 0.52 1.20 0.00 0.00 173.24 176.12 3i8f n VAL 43 N 4.95 2.18 0.00 4.45 0.31 -0.33 -2.22 118.33 127.67 3i8f n VAL 43 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3i8f n VAL 43 Cb 0.50 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3i8f n VAL 43 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i8f n LYS 44 N 0.36 4.46 -2.85 5.55 4.76 -0.19 -2.83 118.16 127.43 3i8f n LYS 44 Ca 0.04 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.47 3i8f n LYS 44 Cb 0.38 -0.51 0.01 0.00 -1.84 0.00 0.00 35.03 33.07 3i8f n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i8f s GLU 45 N -0.96 0.55 0.47 1.97 2.12 -0.84 -4.93 118.70 117.09 3i8f s GLU 45 Ca 0.00 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3i8f s GLU 45 Cb 0.00 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.42 3i8f s GLU 45 CO 0.00 -0.74 0.68 0.00 -0.54 0.00 0.00 175.26 174.67 3i8f s ALA 46 N 1.43 3.92 -0.03 6.30 0.00 -1.26 -0.89 121.76 131.24 3i8f s ALA 46 Ca 0.21 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 3i8f s ALA 46 Cb 0.03 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 3i8f s ALA 46 CO -0.10 -0.48 0.45 -1.50 0.00 0.00 0.00 175.76 174.14 3i8f s ILE 47 N -2.58 5.04 0.00 0.00 1.10 0.32 -4.80 121.20 120.28 3i8f s ILE 47 Ca 0.52 0.92 0.00 0.00 -0.51 0.00 0.00 60.65 61.58 3i8f s ILE 47 Cb -0.10 -3.77 0.00 0.00 0.15 0.00 0.00 42.46 38.74 3i8f s ILE 47 CO 0.37 0.49 0.00 -2.65 -2.11 0.00 0.00 174.94 171.04 3i8f n PRO 48 N 2.42 0.00 -3.79 3.50 -0.02 -1.26 -4.24 135.00 131.61 3i8f n PRO 48 Ca -0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.00 3i8f n PRO 48 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 3i8f n PRO 48 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i8f s ARG 49 N 0.00 3.56 0.03 -0.52 3.03 -1.26 -4.92 118.95 118.87 3i8f s ARG 49 Ca 0.00 -0.02 -0.29 0.00 2.03 0.00 0.00 55.73 57.46 3i8f s ARG 49 Cb 0.00 -3.18 0.10 0.00 -1.03 0.00 0.00 34.95 30.84 3i8f s ARG 49 CO 0.00 0.74 1.20 0.20 -1.13 0.00 0.00 175.30 176.31 3i8f s GLY 50 N -1.16 -0.33 0.40 3.88 0.00 -1.26 -4.92 107.32 103.93 3i8f s GLY 50 Ca 0.19 0.48 0.19 0.00 0.00 0.00 0.00 44.72 45.57 3i8f s GLY 50 CO 0.08 0.46 1.52 0.00 0.00 0.00 0.00 173.10 175.16 3i8f h ALA 51 N 2.00 1.18 -3.46 3.20 0.00 -1.92 -3.40 119.26 116.86 3i8f h ALA 51 Ca -0.28 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 3i8f h ALA 51 Cb 1.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 3i8f h ALA 51 CO 0.28 -0.18 -0.81 0.08 0.00 0.00 0.00 179.25 178.61 3i8f s VAL 52 N -3.54 1.74 0.04 0.00 1.01 -1.19 -5.11 120.40 113.36 3i8f s VAL 52 Ca -0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 3i8f s VAL 52 Cb 0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3i8f s VAL 52 CO 0.17 -0.13 -0.02 -0.54 0.00 0.00 0.00 175.10 174.58 3i8f s LYS 53 N -2.16 0.52 1.03 2.72 1.02 -1.26 -4.64 119.74 116.97 3i8f s LYS 53 Ca 0.09 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 3i8f s LYS 53 Cb -0.09 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.47 3i8f s LYS 53 CO 0.05 -0.10 0.20 0.39 -0.92 0.00 0.00 175.35 174.97 3i8f n GLU 54 N 0.60 -0.89 0.00 1.68 1.02 -1.26 -2.27 120.64 119.53 3i8f n GLU 54 Ca -0.17 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3i8f n GLU 54 Cb 0.59 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3i8f n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i8f n GLY 55 N 1.78 1.98 3.63 0.62 0.00 -1.13 -4.92 105.19 107.15 3i8f n GLY 55 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i8f n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8f s ASP 56 N -1.78 6.30 -0.26 1.61 -0.00 -0.96 -4.74 116.67 116.83 3i8f s ASP 56 Ca 0.00 1.72 -0.29 0.00 -0.00 0.00 0.00 52.55 53.98 3i8f s ASP 56 Cb 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 3i8f s ASP 56 CO 0.00 -1.31 1.22 -0.69 -0.00 0.00 0.00 175.17 174.40 3i8f s VAL 57 N 5.43 4.30 0.20 -1.27 1.01 -1.26 -1.18 120.40 127.63 3i8f s VAL 57 Ca 0.75 1.51 0.00 0.00 0.00 0.00 0.00 61.98 64.24 3i8f s VAL 57 Cb -0.27 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 3i8f s VAL 57 CO 0.31 -0.36 0.01 1.33 0.00 0.00 0.00 175.10 176.38 3i8f n VAL 58 N 5.85 0.00 -4.43 2.92 0.24 0.22 -4.96 118.33 118.16 3i8f n VAL 58 Ca 0.14 -0.98 -0.20 0.00 -2.04 0.00 0.00 64.34 61.25 3i8f n VAL 58 Cb 0.46 0.22 -0.14 0.00 -1.47 0.00 0.00 33.84 32.91 3i8f n VAL 58 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i8f s LYS 59 N -2.74 0.96 0.19 7.34 1.02 -1.26 -0.39 119.74 124.86 3i8f s LYS 59 Ca 0.01 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 3i8f s LYS 59 Cb 0.00 -0.95 -0.00 0.00 -0.52 0.00 0.00 37.83 36.36 3i8f s LYS 59 CO 0.01 0.24 0.37 0.00 -0.92 0.00 0.00 175.35 175.05 3i8f s ALA 60 N -0.65 -0.22 -0.07 5.17 0.00 -0.19 0.17 121.76 125.98 3i8f s ALA 60 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3i8f s ALA 60 Cb -0.07 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3i8f s ALA 60 CO 0.01 -0.72 -0.18 0.54 0.00 0.00 0.00 175.76 175.41 3i8f s VAL 61 N -3.96 2.69 0.07 0.00 0.11 -0.75 -0.18 120.40 118.38 3i8f s VAL 61 Ca 0.17 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 3i8f s VAL 61 Cb 0.02 -2.05 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 3i8f s VAL 61 CO 0.01 0.56 1.17 -0.69 -3.33 0.00 0.00 175.10 172.83 3i8f s VAL 62 N -0.22 4.08 -0.03 2.04 1.01 -0.53 -2.05 120.40 124.70 3i8f s VAL 62 Ca -0.00 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.51 3i8f s VAL 62 Cb -0.13 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3i8f s VAL 62 CO 0.03 0.13 0.04 1.33 0.00 0.00 0.00 175.10 176.63 3i8f n VAL 63 N 3.76 0.00 -3.67 2.92 0.24 -0.39 0.96 118.33 122.15 3i8f n VAL 63 Ca 0.08 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 3i8f n VAL 63 Cb 0.47 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.52 3i8f n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i8f s ARG 64 N -1.55 0.80 0.23 7.34 0.52 -0.90 -2.55 118.95 122.85 3i8f s ARG 64 Ca 0.00 0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.25 3i8f s ARG 64 Cb 0.01 0.37 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 3i8f s ARG 64 CO 0.05 -0.22 0.25 0.95 0.02 0.00 0.00 175.30 176.35 3i8f s THR 65 N -1.10 0.00 -0.20 0.02 -4.23 -1.09 -2.69 115.64 106.34 3i8f s THR 65 Ca -0.11 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 3i8f s THR 65 Cb -0.03 -2.44 -0.19 0.00 1.34 0.00 0.00 72.50 71.17 3i8f s THR 65 CO 0.06 0.00 0.19 1.17 -0.54 0.00 0.00 174.62 175.50 3i8f n LYS 66 N -0.35 0.59 -2.15 3.99 3.00 -1.23 0.50 118.16 122.51 3i8f n LYS 66 Ca 0.02 0.52 -0.39 0.00 -0.00 0.00 0.00 58.31 58.45 3i8f n LYS 66 Cb 0.64 -1.73 -0.03 0.00 0.00 0.00 0.00 35.03 33.92 3i8f n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3i8f s LYS 67 N -2.40 2.83 0.10 1.64 2.47 -1.26 -4.40 119.74 118.72 3i8f s LYS 67 Ca -0.29 0.52 -0.18 0.00 -1.56 0.00 0.00 55.97 54.47 3i8f s LYS 67 Cb 0.07 -4.32 -0.10 0.00 -1.46 0.00 0.00 37.83 32.02 3i8f s LYS 67 CO 0.61 -2.50 0.36 -0.85 0.16 0.00 0.00 175.35 173.12 3i8f n GLU 68 N 9.11 0.00 -3.70 4.03 0.00 -1.26 -4.48 120.64 124.34 3i8f n GLU 68 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.98 3i8f n GLU 68 Cb 0.51 -0.63 -0.08 0.00 0.00 0.00 0.00 31.44 31.24 3i8f n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i8f s ILE 69 N -0.49 5.39 -0.07 3.84 1.09 0.13 -4.86 121.20 126.23 3i8f s ILE 69 Ca 0.40 0.25 -0.24 0.00 -1.10 0.00 0.00 60.65 59.95 3i8f s ILE 69 Cb -0.58 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 3i8f s ILE 69 CO 0.33 0.43 0.75 -0.54 -0.10 0.00 0.00 174.94 175.81 3i8f s LYS 70 N 0.38 4.43 0.08 2.79 1.02 -1.26 -1.82 119.74 125.36 3i8f s LYS 70 Ca 0.09 0.95 -0.12 0.00 0.02 0.00 0.00 55.97 56.92 3i8f s LYS 70 Cb -0.11 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 3i8f s LYS 70 CO -0.01 -0.00 0.44 1.03 -0.92 0.00 0.00 175.35 175.88 3i8f s ARG 71 N 1.02 3.83 0.41 1.68 1.81 0.27 -4.98 118.95 122.99 3i8f s ARG 71 Ca 0.39 0.28 0.09 0.00 -1.72 0.00 0.00 55.73 54.77 3i8f s ARG 71 Cb -0.18 -3.01 0.87 0.00 -0.45 0.00 0.00 34.95 32.17 3i8f s ARG 71 CO 0.18 0.56 2.00 -1.00 -0.68 0.00 0.00 175.30 176.37 3i8f h PRO 72 N 3.82 0.35 0.00 3.54 0.13 -1.97 -0.22 132.00 137.65 3i8f h PRO 72 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3i8f h PRO 72 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3i8f h PRO 72 CO 0.66 0.33 0.06 -0.40 -0.23 0.00 0.00 178.00 178.42 3i8f n ASP 73 N -4.39 0.32 0.00 1.44 5.68 -1.26 -4.78 116.55 113.56 3i8f n ASP 73 Ca 0.01 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 3i8f n ASP 73 Cb 0.16 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 3i8f n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i8f n GLY 74 N -1.35 1.93 3.96 6.12 0.00 -0.09 -5.10 105.19 110.66 3i8f n GLY 74 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3i8f n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i8f s SER 75 N -1.79 5.87 0.10 1.61 1.04 -1.24 -4.83 113.70 114.45 3i8f s SER 75 Ca 0.00 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.61 3i8f s SER 75 Cb 0.00 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 3i8f s SER 75 CO 0.00 -0.63 -0.08 0.00 0.98 0.00 0.00 173.24 173.51 3i8f s ALA 76 N -2.45 1.06 -0.04 5.32 0.00 -1.26 0.95 121.76 125.34 3i8f s ALA 76 Ca 0.47 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3i8f s ALA 76 Cb -0.10 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3i8f s ALA 76 CO 0.36 -0.12 0.19 -1.50 0.00 0.00 0.00 175.76 174.68 3i8f s ILE 77 N -2.94 0.04 -0.01 0.00 2.07 -0.76 -4.94 121.20 114.66 3i8f s ILE 77 Ca 0.08 -0.33 -0.13 0.00 -1.41 0.00 0.00 60.65 58.87 3i8f s ILE 77 Cb 0.01 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.23 3i8f s ILE 77 CO -0.02 -0.18 0.26 0.00 -1.91 0.00 0.00 174.94 173.10 3i8f s ARG 78 N -0.64 0.61 0.31 3.50 1.70 -1.26 0.20 118.95 123.37 3i8f s ARG 78 Ca -0.07 -0.24 0.09 0.00 -0.47 0.00 0.00 55.73 55.04 3i8f s ARG 78 Cb -0.04 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3i8f s ARG 78 CO 0.01 -0.16 0.06 -0.06 -1.08 0.00 0.00 175.30 174.07 3i8f s PHE 79 N -1.31 2.68 -1.23 5.89 0.40 0.18 -5.00 117.98 119.59 3i8f s PHE 79 Ca -0.14 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3i8f s PHE 79 Cb -0.06 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.05 3i8f s PHE 79 CO 0.03 0.48 0.58 -0.25 0.70 0.00 0.00 175.22 176.77 3i8f n ASP 80 N -1.01 0.73 -3.59 1.36 9.92 -1.26 -3.73 116.55 118.97 3i8f n ASP 80 Ca -0.05 -1.89 -0.01 0.00 -0.53 0.00 0.00 54.79 52.31 3i8f n ASP 80 Cb 0.60 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 3i8f n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3i8f s ASP 81 N -0.28 -0.05 -0.64 -2.24 3.84 -1.26 -5.01 116.67 111.03 3i8f s ASP 81 Ca 0.00 -0.42 0.04 0.00 -0.00 0.00 0.00 52.55 52.18 3i8f s ASP 81 Cb 0.00 0.37 0.32 0.00 -1.38 0.00 0.00 42.92 42.23 3i8f s ASP 81 CO 0.00 -0.71 0.99 0.59 -0.00 0.00 0.00 175.17 176.05 3i8f n ASN 82 N -0.86 4.63 -4.76 2.11 4.13 -1.26 -2.67 115.26 116.59 3i8f n ASN 82 Ca -0.04 -3.63 -0.34 0.00 1.68 0.00 0.00 54.58 52.24 3i8f n ASN 82 Cb 0.60 -0.65 0.03 0.00 -1.54 0.00 0.00 39.78 38.23 3i8f n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8f s ALA 83 N -3.33 2.52 0.34 5.41 0.00 -1.10 -3.00 121.76 122.60 3i8f s ALA 83 Ca 0.46 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.24 3i8f s ALA 83 Cb 0.24 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3i8f s ALA 83 CO -0.11 -1.16 0.34 0.00 0.00 0.00 0.00 175.76 174.84 3i8f s ALA 84 N -1.95 1.59 -0.03 0.00 0.00 -0.18 -1.27 121.76 119.92 3i8f s ALA 84 Ca 0.72 -1.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3i8f s ALA 84 Cb -0.25 1.39 0.03 0.00 0.00 0.00 0.00 23.12 24.29 3i8f s ALA 84 CO 0.35 -0.70 0.03 0.08 0.00 0.00 0.00 175.76 175.52 3i8f s VAL 85 N -3.29 0.06 0.46 0.00 1.01 -0.87 -1.38 120.40 116.39 3i8f s VAL 85 Ca 0.38 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 3i8f s VAL 85 Cb 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 3i8f s VAL 85 CO 0.26 0.15 1.36 -0.63 0.00 0.00 0.00 175.10 176.24 3i8f s ILE 86 N 1.46 2.30 0.08 2.22 1.09 -1.26 -1.80 121.20 125.30 3i8f s ILE 86 Ca -0.04 0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.79 3i8f s ILE 86 Cb -0.13 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.09 3i8f s ILE 86 CO -0.03 0.02 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.12 3i8f s ILE 87 N -1.27 0.75 0.70 2.92 -1.09 0.45 -2.83 121.20 120.84 3i8f s ILE 87 Ca 0.63 -1.61 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3i8f s ILE 87 Cb -0.40 -1.29 0.12 0.00 -1.58 0.00 0.00 42.46 39.31 3i8f s ILE 87 CO 0.50 -0.63 0.97 0.54 -1.23 0.00 0.00 174.94 175.10 3i8f s ASN 88 N -2.45 4.44 0.00 3.58 4.22 -0.57 -4.05 114.94 120.11 3i8f s ASN 88 Ca 0.04 -0.35 0.01 0.00 -2.14 0.00 0.00 52.86 50.42 3i8f s ASN 88 Cb -0.02 -0.07 0.09 0.00 1.28 0.00 0.00 41.25 42.53 3i8f s ASN 88 CO -0.02 -1.80 0.57 0.59 -2.04 0.00 0.00 177.10 174.40 3i8f n ASN 89 N -2.78 0.00 -1.96 3.54 4.13 -1.26 -1.71 115.26 115.22 3i8f n ASN 89 Ca 0.15 -0.93 -0.10 0.00 1.68 0.00 0.00 54.58 55.37 3i8f n ASN 89 Cb 0.61 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.91 3i8f n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8f n GLN 90 N -0.55 2.42 -2.42 3.52 6.02 -1.26 -4.97 117.38 120.15 3i8f n GLN 90 Ca 0.01 -3.64 -0.01 0.00 -0.01 0.00 0.00 57.00 53.35 3i8f n GLN 90 Cb 0.00 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 29.49 3i8f n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i8f n LEU 91 N -0.63 -0.05 -4.81 1.08 7.99 -0.69 -4.91 117.00 114.98 3i8f n LEU 91 Ca 0.26 0.46 -0.36 0.00 -0.01 0.00 0.00 56.01 56.36 3i8f n LEU 91 Cb 0.89 -1.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.11 3i8f n LEU 91 CO 0.20 -0.01 -0.19 -1.61 -1.51 0.00 0.00 177.39 174.27 3i8f s GLU 92 N -4.84 3.62 0.53 3.23 2.02 -1.26 -4.86 118.70 117.14 3i8f s GLU 92 Ca 0.00 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.58 3i8f s GLU 92 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 3i8f s GLU 92 CO 0.00 0.63 1.37 -1.25 0.02 0.00 0.00 175.26 176.03 3i8f s PRO 93 N -0.60 3.25 -0.14 0.39 0.04 -1.26 -1.52 135.00 135.16 3i8f s PRO 93 Ca 0.12 2.27 0.11 0.00 0.04 0.00 0.00 61.00 63.55 3i8f s PRO 93 Cb -0.12 -2.34 -0.23 0.00 0.04 0.00 0.00 34.50 31.85 3i8f s PRO 93 CO 0.02 -1.12 0.28 0.54 0.04 0.00 0.00 177.00 176.77 3i8f n ARG 94 N -0.86 0.67 -0.05 4.56 1.74 -1.13 -4.82 116.66 116.76 3i8f n ARG 94 Ca 0.09 0.15 -0.02 0.00 -0.77 0.00 0.00 57.85 57.30 3i8f n ARG 94 Cb 0.44 -1.64 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3i8f n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8f n GLY 95 N 1.77 -3.12 2.73 -0.13 0.00 -1.26 -4.98 105.19 100.19 3i8f n GLY 95 Ca -0.29 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 3i8f n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8f n THR 96 N -2.97 0.44 0.00 2.61 -2.24 -1.26 -5.03 114.28 105.84 3i8f n THR 96 Ca 0.01 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 3i8f n THR 96 Cb 0.05 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3i8f n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i8f n ARG 97 N -1.14 0.00 -3.59 -0.78 5.12 -1.26 -4.99 116.66 110.02 3i8f n ARG 97 Ca -0.08 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.70 3i8f n ARG 97 Cb 0.85 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 32.09 3i8f n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i8f s VAL 98 N -2.00 0.00 -0.03 1.55 0.11 -1.26 -3.93 120.40 114.84 3i8f s VAL 98 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3i8f s VAL 98 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3i8f s VAL 98 CO 0.00 0.00 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.26 3i8f s PHE 99 N -0.35 2.67 0.00 1.54 0.08 -1.24 -4.35 117.98 116.33 3i8f s PHE 99 Ca -0.03 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3i8f s PHE 99 Cb -0.03 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 3i8f s PHE 99 CO 0.03 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 3i8f n GLY 100 N 2.15 -1.00 1.92 4.36 0.00 -1.26 -4.65 105.19 106.71 3i8f n GLY 100 Ca -0.17 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 3i8f n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8f n PRO 101 N -1.01 -1.29 -3.63 1.61 -0.02 -1.26 -3.99 135.00 125.42 3i8f n PRO 101 Ca 0.00 -1.00 -0.14 0.00 -2.02 0.00 0.00 63.50 60.34 3i8f n PRO 101 Cb 0.00 -0.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.64 3i8f n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i8f s VAL 102 N -2.31 0.00 0.27 -1.45 -7.23 -1.19 -4.85 120.40 103.64 3i8f s VAL 102 Ca 0.38 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.24 3i8f s VAL 102 Cb -0.02 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.80 3i8f s VAL 102 CO 0.28 0.00 1.55 0.00 -0.31 0.00 0.00 175.10 176.61 3i8f n ALA 103 N 2.61 2.08 0.28 1.32 0.00 -1.05 -1.30 120.51 124.45 3i8f n ALA 103 Ca -0.14 0.39 0.19 0.00 0.00 0.00 0.00 53.44 53.88 3i8f n ALA 103 Cb 0.55 -2.41 1.02 0.00 0.00 0.00 0.00 19.45 18.62 3i8f n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f h ARG 104 N 4.79 0.00 0.00 0.00 3.08 0.04 0.03 114.38 122.32 3i8f h ARG 104 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3i8f h ARG 104 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3i8f h ARG 104 CO 0.80 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.09 3i8f n GLU 105 N -2.81 0.03 0.06 0.04 4.71 -1.26 -0.76 120.64 120.65 3i8f n GLU 105 Ca -0.02 0.23 -0.21 0.00 -0.01 0.00 0.00 57.16 57.15 3i8f n GLU 105 Cb 0.06 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 28.84 3i8f n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3i8f h LEU 106 N 0.00 0.52 -0.36 -4.62 3.38 -1.34 -3.10 115.31 109.80 3i8f h LEU 106 Ca 0.00 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.09 3i8f h LEU 106 Cb 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3i8f h LEU 106 CO 0.00 1.46 -0.01 -0.09 0.09 0.00 0.00 178.44 179.89 3i8f h ARG 107 N -0.29 0.09 0.00 1.13 2.43 -1.15 0.22 114.38 116.81 3i8f h ARG 107 Ca -0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3i8f h ARG 107 Cb 1.73 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3i8f h ARG 107 CO 0.16 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.07 3i8f n GLU 108 N -5.19 0.04 -0.01 0.20 -0.58 -1.22 -2.71 120.64 111.16 3i8f n GLU 108 Ca 0.02 0.27 0.11 0.00 -0.42 0.00 0.00 57.16 57.13 3i8f n GLU 108 Cb 0.19 -1.57 -0.16 0.00 -0.57 0.00 0.00 31.44 29.33 3i8f n GLU 108 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i8f n LYS 109 N -1.64 0.62 0.00 3.49 4.76 -0.09 -5.03 118.16 120.26 3i8f n LYS 109 Ca 0.03 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 3i8f n LYS 109 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 3i8f n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8f n GLY 110 N 1.32 1.60 2.57 0.72 0.00 -0.27 -5.03 105.19 106.09 3i8f n GLY 110 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3i8f n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i8f n PHE 111 N -0.85 3.22 -0.20 1.61 3.72 -1.12 -4.80 117.46 119.04 3i8f n PHE 111 Ca 0.00 -2.79 -0.01 0.00 -0.05 0.00 0.00 57.45 54.60 3i8f n PHE 111 Cb 0.00 -0.51 0.07 0.00 -0.94 0.00 0.00 39.48 38.10 3i8f n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3i8f h MET 112 N 2.65 0.04 0.00 -1.08 2.86 -1.87 0.31 114.93 117.84 3i8f h MET 112 Ca 0.40 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 3i8f h MET 112 Cb 0.69 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3i8f h MET 112 CO 1.06 0.02 0.41 0.87 1.06 0.00 0.00 176.91 180.34 3i8f h LYS 113 N 0.04 0.00 0.00 1.72 1.57 -1.98 1.39 116.57 119.31 3i8f h LYS 113 Ca 0.30 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.84 3i8f h LYS 113 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3i8f h LYS 113 CO -0.58 0.00 -1.95 -0.89 -0.57 0.00 0.00 179.45 175.46 3i8f n ILE 114 N -2.30 0.87 -0.15 1.86 5.41 0.89 -3.74 119.36 122.21 3i8f n ILE 114 Ca -0.01 -0.58 -0.10 0.00 1.00 0.00 0.00 62.75 63.06 3i8f n ILE 114 Cb 0.44 -0.54 -0.01 0.00 -0.71 0.00 0.00 39.64 38.82 3i8f n ILE 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i8f h VAL 115 N 0.00 1.25 0.17 1.39 2.07 0.35 0.93 116.25 122.42 3i8f h VAL 115 Ca -0.35 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3i8f h VAL 115 Cb 1.75 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3i8f h VAL 115 CO 0.02 0.34 -0.08 0.77 0.02 0.00 0.00 177.57 178.63 3i8f h SER 116 N 0.61 -0.20 -0.94 0.57 4.64 -0.46 -3.26 113.55 114.51 3i8f h SER 116 Ca 0.13 -0.33 0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3i8f h SER 116 Cb 0.44 0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.48 3i8f h SER 116 CO 0.02 0.29 0.54 -0.07 -0.87 0.00 0.00 176.83 176.73 3i8f h LEU 117 N -0.75 0.70 -9.68 5.97 -0.00 -1.64 -3.42 115.31 106.49 3i8f h LEU 117 Ca -0.02 0.09 -0.58 0.00 -0.00 0.00 0.00 57.88 57.37 3i8f h LEU 117 Cb 0.51 -0.03 0.14 0.00 -0.00 0.00 0.00 40.66 41.28 3i8f h LEU 117 CO 0.04 0.28 0.12 0.00 -0.00 0.00 0.00 178.44 178.87 3i8f n ALA 118 N -2.37 0.10 1.53 1.53 0.00 0.32 -4.47 120.51 117.15 3i8f n ALA 118 Ca 0.20 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.93 3i8f n ALA 118 Cb 0.49 -2.07 0.75 0.00 0.00 0.00 0.00 19.45 18.62 3i8f n ALA 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i8f n PRO 119 N -0.13 0.70 0.00 0.00 -0.04 -1.26 -4.81 135.00 129.47 3i8f n PRO 119 Ca 0.10 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3i8f n PRO 119 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3i8f n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8f n GLU 120 N -1.08 0.00 -4.22 0.54 2.13 -1.26 -5.03 120.64 111.71 3i8f n GLU 120 Ca 0.18 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.65 3i8f n GLU 120 Cb 0.12 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.74 3i8f n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i8f s VAL 121 N -0.18 4.58 0.00 6.31 1.01 -1.26 -3.13 120.40 127.72 3i8f s VAL 121 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3i8f s VAL 121 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3i8f s VAL 121 CO 0.00 0.58 0.16 0.18 0.00 0.00 0.00 175.10 176.01