#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s GLU 2 N 0.00 2.56 -0.26 2.12 -1.05 -1.26 -3.87 118.70 116.93 3f1f s GLU 2 Ca 0.00 -1.12 -0.02 0.00 -0.15 0.00 0.00 54.97 53.69 3f1f s GLU 2 Cb 0.00 -2.61 0.14 0.00 -0.44 0.00 0.00 34.13 31.22 3f1f s GLU 2 CO 0.00 -0.61 0.40 0.00 0.95 0.00 0.00 175.26 176.01 3f1f s ALA 3 N -2.61 -1.22 0.99 -0.84 0.00 0.23 -4.96 121.76 113.35 3f1f s ALA 3 Ca 0.58 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 3f1f s ALA 3 Cb -0.09 -1.79 0.22 0.00 0.00 0.00 0.00 23.12 21.46 3f1f s ALA 3 CO 0.37 -1.35 1.33 0.15 0.00 0.00 0.00 175.76 176.25 3f1f s LYS 4 N 2.57 0.38 0.00 0.00 1.02 -1.26 -0.75 119.74 121.71 3f1f s LYS 4 Ca 0.13 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3f1f s LYS 4 Cb -0.15 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 3f1f s LYS 4 CO -0.19 -2.58 0.00 0.00 -0.92 0.00 0.00 175.35 171.66 3f1f n ALA 5 N -3.87 0.00 -3.71 5.17 0.00 -1.16 -4.69 120.51 112.24 3f1f n ALA 5 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 3f1f n ALA 5 Cb 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.88 3f1f n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f1f s ILE 6 N 0.00 0.15 -0.42 0.00 1.01 -1.26 -1.64 121.20 119.04 3f1f s ILE 6 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 3f1f s ILE 6 Cb 0.00 -0.26 0.07 0.00 0.01 0.00 0.00 42.46 42.28 3f1f s ILE 6 CO 0.00 0.14 0.27 0.00 0.00 0.00 0.00 174.94 175.36 3f1f s ALA 7 N 1.07 3.33 0.66 9.38 0.00 -0.83 -4.98 121.76 130.40 3f1f s ALA 7 Ca -0.09 -2.06 -0.09 0.00 0.00 0.00 0.00 51.96 49.72 3f1f s ALA 7 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.29 3f1f s ALA 7 CO -0.02 -1.62 1.01 1.03 0.00 0.00 0.00 175.76 176.17 3f1f s ARG 8 N 1.49 2.84 -1.45 0.00 0.52 -1.26 -1.83 118.95 119.25 3f1f s ARG 8 Ca 0.03 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 3f1f s ARG 8 Cb -0.23 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.11 3f1f s ARG 8 CO 0.04 -0.91 0.00 0.66 0.02 0.00 0.00 175.30 175.11 3f1f n TYR 9 N -2.83 -0.97 -2.20 -0.53 0.53 -1.05 -4.88 117.16 105.24 3f1f n TYR 9 Ca 0.06 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.51 3f1f n TYR 9 Cb 0.58 -3.15 -0.02 0.00 -1.03 0.00 0.00 39.34 35.71 3f1f n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3f1f s VAL 10 N -2.66 3.80 -1.09 -0.72 1.01 0.60 -4.76 120.40 116.59 3f1f s VAL 10 Ca 0.00 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 3f1f s VAL 10 Cb 0.00 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 3f1f s VAL 10 CO 0.00 -0.41 1.96 -0.60 0.00 0.00 0.00 175.10 176.05 3f1f s ARG 11 N 4.69 2.43 -0.20 2.72 3.00 -1.26 -1.26 118.95 129.07 3f1f s ARG 11 Ca 0.67 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.73 54.27 3f1f s ARG 11 Cb -0.21 -5.17 0.15 0.00 0.00 0.00 0.00 34.95 29.72 3f1f s ARG 11 CO 0.29 -3.88 1.11 -1.50 0.00 0.00 0.00 175.30 171.32 3f1f s ILE 12 N 11.10 0.00 0.37 4.11 2.07 -1.21 -4.99 121.20 132.66 3f1f s ILE 12 Ca 0.70 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.67 3f1f s ILE 12 Cb -0.03 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.47 3f1f s ILE 12 CO 0.09 0.00 1.24 -0.55 -1.91 0.00 0.00 174.94 173.81 3f1f s SER 13 N -1.11 6.58 0.04 4.50 0.15 -1.26 -3.15 113.70 119.45 3f1f s SER 13 Ca 0.02 2.51 -0.26 0.00 0.70 0.00 0.00 55.95 58.92 3f1f s SER 13 Cb -0.01 -2.63 -0.14 0.00 -1.71 0.00 0.00 66.02 61.53 3f1f s SER 13 CO -0.02 -0.65 1.38 -0.65 1.20 0.00 0.00 173.24 174.51 3f1f h PRO 14 N 2.93 -0.90 -1.10 5.44 0.11 -1.92 -2.84 132.00 133.72 3f1f h PRO 14 Ca -0.49 0.06 0.40 0.00 0.11 0.00 0.00 66.00 66.08 3f1f h PRO 14 Cb 1.23 0.20 -0.16 0.00 0.11 0.00 0.00 31.00 32.39 3f1f h PRO 14 CO 0.64 -0.60 0.65 0.00 -0.21 0.00 0.00 178.00 178.47 3f1f h ARG 15 N -0.94 0.10 0.36 1.05 3.08 -1.95 0.54 114.38 116.62 3f1f h ARG 15 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3f1f h ARG 15 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3f1f h ARG 15 CO 0.16 0.07 -0.17 0.87 -1.07 0.00 0.00 179.97 179.83 3f1f h LYS 16 N 0.11 -0.46 0.01 0.04 1.57 -1.91 -3.23 116.57 112.70 3f1f h LYS 16 Ca 0.81 0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 59.43 3f1f h LYS 16 Cb 2.21 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.60 3f1f h LYS 16 CO -0.62 -0.20 -0.94 -0.39 -0.57 0.00 0.00 179.45 176.72 3f1f h VAL 17 N -0.66 1.64 -0.72 0.50 -1.51 -0.94 -3.14 116.25 111.42 3f1f h VAL 17 Ca -0.05 -3.12 0.21 0.00 -1.23 0.00 0.00 66.70 62.51 3f1f h VAL 17 Cb 0.47 2.71 -0.03 0.00 -2.13 0.00 0.00 31.29 32.31 3f1f h VAL 17 CO 0.08 0.89 0.52 -0.09 -1.23 0.00 0.00 177.57 177.74 3f1f h ARG 18 N 0.01 0.01 -0.52 5.19 2.43 -1.02 0.87 114.38 121.37 3f1f h ARG 18 Ca -0.02 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3f1f h ARG 18 Cb 1.65 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 3f1f h ARG 18 CO 0.13 0.01 0.25 -0.07 -1.51 0.00 0.00 179.97 178.77 3f1f h LEU 19 N 0.01 0.68 -0.13 3.80 4.07 -1.56 -1.85 115.31 120.32 3f1f h LEU 19 Ca 0.34 -0.13 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 3f1f h LEU 19 Cb 1.36 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.93 3f1f h LEU 19 CO -0.01 0.62 -0.64 0.58 -1.08 0.00 0.00 178.44 177.92 3f1f h VAL 20 N 0.69 1.32 -0.06 1.22 2.07 0.54 -3.19 116.25 118.84 3f1f h VAL 20 Ca 0.18 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.83 3f1f h VAL 20 Cb 0.13 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3f1f h VAL 20 CO -0.02 0.59 -0.12 0.58 0.02 0.00 0.00 177.57 178.62 3f1f h VAL 21 N 0.34 0.68 0.00 2.57 2.07 -1.08 -1.44 116.25 119.40 3f1f h VAL 21 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3f1f h VAL 21 Cb 1.28 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3f1f h VAL 21 CO 0.13 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.19 3f1f n ASP 22 N -5.26 0.00 0.02 0.57 10.43 -0.70 -0.20 116.55 121.42 3f1f n ASP 22 Ca -0.04 -0.02 0.05 0.00 2.57 0.00 0.00 54.79 57.35 3f1f n ASP 22 Cb 0.18 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.04 3f1f n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3f1f n LEU 23 N -0.93 0.47 -0.00 0.64 7.94 -0.54 -4.40 117.00 120.18 3f1f n LEU 23 Ca 0.00 0.20 0.05 0.00 -1.11 0.00 0.00 56.01 55.14 3f1f n LEU 23 Cb 0.00 0.07 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 3f1f n LEU 23 CO 0.00 0.05 -0.06 2.30 -1.11 0.00 0.00 177.39 178.58 3f1f n ILE 24 N -2.61 0.00 -1.67 1.96 -5.35 0.72 -5.01 119.36 107.40 3f1f n ILE 24 Ca -0.08 -0.27 -0.45 0.00 -0.27 0.00 0.00 62.75 61.68 3f1f n ILE 24 Cb 0.72 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 3f1f n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3f1f n ARG 25 N -1.26 1.99 -3.45 6.28 0.63 -1.11 -2.15 116.66 117.59 3f1f n ARG 25 Ca 0.02 0.71 -0.18 0.00 -0.92 0.00 0.00 57.85 57.47 3f1f n ARG 25 Cb 0.16 -2.35 0.07 0.00 0.45 0.00 0.00 32.46 30.79 3f1f n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1f n GLY 26 N 2.07 -0.55 3.21 5.14 0.00 -0.69 -5.01 105.19 109.36 3f1f n GLY 26 Ca 0.11 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 3f1f n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1f s LYS 27 N -5.29 0.95 0.42 1.61 2.47 -0.91 -4.87 119.74 114.11 3f1f s LYS 27 Ca 0.12 -1.22 -0.25 0.00 -1.56 0.00 0.00 55.97 53.06 3f1f s LYS 27 Cb -0.02 -0.72 -0.10 0.00 -1.46 0.00 0.00 37.83 35.53 3f1f s LYS 27 CO 0.75 0.12 1.16 0.45 0.16 0.00 0.00 175.35 178.00 3f1f n SER 28 N 0.48 2.00 -0.00 1.43 2.88 -1.26 -1.54 113.62 117.62 3f1f n SER 28 Ca -0.15 1.08 -0.11 0.00 -1.33 0.00 0.00 58.87 58.36 3f1f n SER 28 Cb 0.58 -1.43 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 3f1f n SER 28 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3f1f h LEU 29 N 1.87 0.11 -1.19 2.46 5.85 -1.89 -1.41 115.31 121.11 3f1f h LEU 29 Ca -0.46 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3f1f h LEU 29 Cb 1.31 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3f1f h LEU 29 CO 0.59 0.08 0.12 -0.08 -0.34 0.00 0.00 178.44 178.80 3f1f h GLU 30 N 0.13 0.68 -0.29 1.25 4.81 -1.90 -1.21 114.58 118.05 3f1f h GLU 30 Ca 0.04 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3f1f h GLU 30 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3f1f h GLU 30 CO -0.01 0.62 0.11 1.49 -0.73 0.00 0.00 179.01 180.48 3f1f h GLU 31 N 0.66 0.44 0.70 1.92 4.81 -1.84 -1.80 114.58 119.47 3f1f h GLU 31 Ca 0.15 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3f1f h GLU 31 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3f1f h GLU 31 CO -0.00 0.47 -0.50 0.00 -0.73 0.00 0.00 179.01 178.24 3f1f h ALA 32 N 0.95 -1.24 -1.00 2.92 0.00 -0.75 0.31 119.26 120.45 3f1f h ALA 32 Ca 0.10 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.13 3f1f h ALA 32 Cb 0.20 0.65 -0.18 0.00 0.00 0.00 0.00 17.79 18.46 3f1f h ALA 32 CO -0.01 -1.22 0.34 0.00 0.00 0.00 0.00 179.25 178.36 3f1f h ARG 33 N -1.14 0.00 0.17 0.00 3.08 -1.19 0.49 114.38 115.79 3f1f h ARG 33 Ca -0.09 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3f1f h ARG 33 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3f1f h ARG 33 CO 0.05 0.00 -0.08 -0.91 -1.07 0.00 0.00 179.97 177.96 3f1f h ASN 34 N 0.00 -0.19 0.00 7.04 -0.26 -0.24 -2.00 115.58 119.93 3f1f h ASN 34 Ca 0.75 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 56.25 3f1f h ASN 34 Cb 1.85 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 39.16 3f1f h ASN 34 CO -0.83 0.15 0.00 -0.38 -1.06 0.00 0.00 177.43 175.30 3f1f n ILE 35 N -5.05 0.00 -0.35 2.81 5.41 0.14 -2.62 119.36 119.71 3f1f n ILE 35 Ca -0.09 1.35 0.00 0.00 1.00 0.00 0.00 62.75 65.02 3f1f n ILE 35 Cb 0.22 -2.20 0.05 0.00 -0.71 0.00 0.00 39.64 37.00 3f1f n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3f1f n LEU 36 N -1.82 -0.55 -0.31 1.39 4.77 0.34 0.10 117.00 120.92 3f1f n LEU 36 Ca 0.00 1.58 0.22 0.00 -0.03 0.00 0.00 56.01 57.78 3f1f n LEU 36 Cb 0.00 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.21 3f1f n LEU 36 CO 0.00 -1.44 1.22 -0.09 -1.33 0.00 0.00 177.39 175.75 3f1f h ARG 37 N 0.00 0.39 -0.01 3.23 2.43 -1.24 -2.25 114.38 116.93 3f1f h ARG 37 Ca 0.33 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3f1f h ARG 37 Cb 0.56 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3f1f h ARG 37 CO -0.91 0.26 0.00 0.66 -1.51 0.00 0.00 179.97 178.47 3f1f n TYR 38 N -4.60 0.00 -2.92 2.20 0.53 0.28 -4.97 117.16 107.67 3f1f n TYR 38 Ca 0.24 -0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.72 3f1f n TYR 38 Cb 0.84 -0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.10 3f1f n TYR 38 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3f1f s THR 39 N -0.70 4.54 -1.14 -0.72 -1.32 0.68 -4.98 115.64 112.00 3f1f s THR 39 Ca 0.10 1.76 -0.15 0.00 -1.21 0.00 0.00 61.69 62.19 3f1f s THR 39 Cb 0.07 -4.17 0.17 0.00 -1.51 0.00 0.00 72.50 67.05 3f1f s THR 39 CO 0.11 0.41 1.34 0.21 -2.21 0.00 0.00 174.62 174.48 3f1f s ASN 40 N -0.44 6.98 -0.27 8.08 2.47 -1.26 -4.81 114.94 125.69 3f1f s ASN 40 Ca 0.39 -2.81 -0.23 0.00 0.42 0.00 0.00 52.86 50.63 3f1f s ASN 40 Cb -0.22 -2.39 0.07 0.00 -1.45 0.00 0.00 41.25 37.26 3f1f s ASN 40 CO 0.26 -0.79 0.72 -0.54 -3.72 0.00 0.00 177.10 173.03 3f1f s LYS 41 N 1.66 0.80 0.38 0.43 -0.14 -1.26 -5.02 119.74 116.59 3f1f s LYS 41 Ca 0.39 1.04 0.15 0.00 -1.36 0.00 0.00 55.97 56.20 3f1f s LYS 41 Cb -0.04 0.34 1.01 0.00 -1.68 0.00 0.00 37.83 37.46 3f1f s LYS 41 CO -0.03 -0.11 1.81 -0.09 -0.76 0.00 0.00 175.35 176.17 3f1f h ARG 42 N 5.44 0.47 0.00 1.68 2.43 -1.98 -0.67 114.38 121.76 3f1f h ARG 42 Ca -0.29 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3f1f h ARG 42 Cb 1.18 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3f1f h ARG 42 CO 0.08 0.31 -0.08 0.78 -1.51 0.00 0.00 179.97 179.55 3f1f h GLY 43 N 0.49 0.00 0.12 2.80 0.00 -1.95 -2.68 103.07 101.84 3f1f h GLY 43 Ca 0.54 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.92 3f1f h GLY 43 CO -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 175.96 3f1f h ALA 44 N 1.92 -0.32 -0.94 3.60 0.00 -1.43 -1.55 119.26 120.54 3f1f h ALA 44 Ca -0.00 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3f1f h ALA 44 Cb 0.23 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 3f1f h ALA 44 CO 0.01 -0.77 -0.48 -0.92 0.00 0.00 0.00 179.25 177.09 3f1f h TYR 45 N -0.36 -1.46 0.02 0.00 3.20 -1.63 0.31 116.97 117.06 3f1f h TYR 45 Ca 0.11 0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3f1f h TYR 45 Cb 0.53 0.77 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3f1f h TYR 45 CO -0.42 -0.39 -0.01 0.74 -1.64 0.00 0.00 178.16 176.44 3f1f h PHE 46 N -0.03 -0.02 -0.96 -3.82 0.04 -1.63 -1.79 116.94 108.73 3f1f h PHE 46 Ca 0.25 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.12 3f1f h PHE 46 Cb 0.52 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.60 3f1f h PHE 46 CO -0.92 0.41 0.61 0.28 -0.60 0.00 0.00 178.31 178.10 3f1f h VAL 47 N -0.47 0.97 -0.02 -0.55 2.07 -0.47 -1.41 116.25 116.37 3f1f h VAL 47 Ca -0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3f1f h VAL 47 Cb 0.45 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3f1f h VAL 47 CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.78 3f1f h ALA 48 N 1.53 0.03 -0.68 1.67 0.00 -0.36 0.12 119.26 121.56 3f1f h ALA 48 Ca 0.45 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.31 3f1f h ALA 48 Cb 0.40 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3f1f h ALA 48 CO -0.21 -0.34 0.34 -0.22 0.00 0.00 0.00 179.25 178.83 3f1f h LYS 49 N -0.22 0.58 0.07 0.00 3.64 -0.48 0.45 116.57 120.61 3f1f h LYS 49 Ca 0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3f1f h LYS 49 Cb 0.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3f1f h LYS 49 CO 0.00 0.38 -0.03 -0.24 -2.27 0.00 0.00 179.45 177.29 3f1f h VAL 50 N 0.60 1.23 -1.15 2.00 3.04 -1.24 -1.93 116.25 118.80 3f1f h VAL 50 Ca 0.33 -1.26 0.38 0.00 -1.01 0.00 0.00 66.70 65.14 3f1f h VAL 50 Cb 0.32 2.02 -0.14 0.00 -2.01 0.00 0.00 31.29 31.49 3f1f h VAL 50 CO -0.25 0.30 0.71 0.25 -1.01 0.00 0.00 177.57 177.57 3f1f h LEU 51 N -0.68 0.36 0.24 3.16 7.12 -0.35 0.10 115.31 125.26 3f1f h LEU 51 Ca -0.01 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 3f1f h LEU 51 Cb 0.56 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 3f1f h LEU 51 CO 0.02 -0.16 -0.11 -0.08 -0.13 0.00 0.00 178.44 177.97 3f1f h GLU 52 N 0.19 -0.31 0.00 1.25 4.57 -0.86 -3.06 114.58 116.35 3f1f h GLU 52 Ca 0.77 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.97 3f1f h GLU 52 Cb 2.13 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.79 3f1f h GLU 52 CO -0.50 -0.21 0.60 1.03 -1.18 0.00 0.00 179.01 178.75 3f1f h SER 53 N -0.49 0.00 0.14 1.04 0.87 -0.11 0.62 113.55 115.62 3f1f h SER 53 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3f1f h SER 53 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3f1f h SER 53 CO 0.05 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 176.28 3f1f h ALA 54 N 0.68 -0.19 -0.91 6.23 0.00 -0.88 -2.71 119.26 121.48 3f1f h ALA 54 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 3f1f h ALA 54 Cb 1.20 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3f1f h ALA 54 CO 0.00 -0.25 0.53 0.00 0.00 0.00 0.00 179.25 179.53 3f1f h ALA 55 N -0.43 1.38 0.02 0.00 0.00 0.30 0.49 119.26 121.02 3f1f h ALA 55 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3f1f h ALA 55 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3f1f h ALA 55 CO 0.03 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 179.08 3f1f h ALA 56 N 1.54 -0.73 -0.93 0.00 0.00 -1.29 -0.37 119.26 117.48 3f1f h ALA 56 Ca 0.47 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.49 3f1f h ALA 56 Cb 0.57 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3f1f h ALA 56 CO -0.31 -0.80 0.59 -0.91 0.00 0.00 0.00 179.25 177.82 3f1f h ASN 57 N -0.33 0.69 -1.00 0.00 -0.26 -0.89 0.13 115.58 113.92 3f1f h ASN 57 Ca 0.00 0.05 0.11 0.00 -0.56 0.00 0.00 56.30 55.90 3f1f h ASN 57 Cb 0.35 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.45 3f1f h ASN 57 CO -0.15 0.32 0.64 0.00 -1.06 0.00 0.00 177.43 177.17 3f1f h ALA 58 N 1.60 1.50 0.03 -0.83 0.00 0.92 -2.00 119.26 120.48 3f1f h ALA 58 Ca 0.48 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.24 3f1f h ALA 58 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3f1f h ALA 58 CO -0.24 0.28 -0.87 0.28 0.00 0.00 0.00 179.25 178.69 3f1f h VAL 59 N 1.03 1.24 -0.23 0.00 2.07 0.83 -1.40 116.25 119.79 3f1f h VAL 59 Ca 0.48 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3f1f h VAL 59 Cb 0.41 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3f1f h VAL 59 CO -0.24 0.50 0.00 0.59 0.02 0.00 0.00 177.57 178.44 3f1f n ASN 60 N -4.38 1.31 0.00 0.57 4.13 -0.26 -2.72 115.26 113.91 3f1f n ASN 60 Ca -0.23 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.10 3f1f n ASN 60 Cb 0.66 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 3f1f n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3f1f n ASN 61 N 0.19 0.00 -0.45 6.41 5.03 -0.76 -4.87 115.26 120.81 3f1f n ASN 61 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 3f1f n ASN 61 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 3f1f n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3f1f n HIS 62 N 0.00 0.00 -3.32 3.10 8.25 -1.18 -5.03 115.22 117.04 3f1f n HIS 62 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3f1f n HIS 62 Cb 0.00 0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 3f1f n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3f1f n ASP 63 N 0.00 -0.16 -4.92 0.41 5.75 -1.01 -4.86 116.55 111.76 3f1f n ASP 63 Ca 0.00 -0.10 -0.27 0.00 -0.01 0.00 0.00 54.79 54.41 3f1f n ASP 63 Cb 0.63 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 3f1f n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3f1f s MET 64 N -4.47 3.54 -0.25 0.11 1.00 -0.56 -5.00 119.30 113.67 3f1f s MET 64 Ca 0.02 0.05 -0.23 0.00 0.00 0.00 0.00 55.69 55.53 3f1f s MET 64 Cb -0.01 -2.47 -0.01 0.00 0.00 0.00 0.00 34.83 32.34 3f1f s MET 64 CO 0.08 -0.08 0.75 -0.51 0.00 0.00 0.00 175.02 175.25 3f1f s LEU 65 N -4.54 4.07 0.58 -0.03 1.43 -1.26 -4.37 118.68 114.56 3f1f s LEU 65 Ca 0.45 0.89 0.31 0.00 -1.03 0.00 0.00 54.13 54.75 3f1f s LEU 65 Cb -0.10 -3.05 1.40 0.00 0.03 0.00 0.00 46.19 44.47 3f1f s LEU 65 CO 0.41 -0.46 1.77 -0.08 0.23 0.00 0.00 176.35 178.22 3f1f h GLU 66 N 7.78 0.00 0.00 1.70 4.81 -1.95 -0.18 114.58 126.75 3f1f h GLU 66 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3f1f h GLU 66 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3f1f h GLU 66 CO 0.83 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.86 3f1f n ASP 67 N -3.76 0.00 0.00 1.04 8.00 -1.26 -4.12 116.55 116.45 3f1f n ASP 67 Ca 0.16 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3f1f n ASP 67 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 3f1f n ASP 67 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3f1f n ARG 68 N -0.87 0.01 -1.21 -1.24 1.85 -0.09 -5.04 116.66 110.07 3f1f n ARG 68 Ca 0.16 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.66 3f1f n ARG 68 Cb 0.08 -0.50 0.09 0.00 -1.05 0.00 0.00 32.46 31.07 3f1f n ARG 68 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3f1f n LEU 69 N -0.55 1.71 -4.07 2.89 -0.00 -1.14 -2.77 117.00 113.07 3f1f n LEU 69 Ca 0.00 0.58 -0.11 0.00 -0.00 0.00 0.00 56.01 56.48 3f1f n LEU 69 Cb 0.00 -1.29 -0.06 0.00 -0.00 0.00 0.00 43.42 42.07 3f1f n LEU 69 CO 0.00 -2.77 0.06 -0.72 -0.00 0.00 0.00 177.39 173.96 3f1f s TYR 70 N -1.97 0.67 -0.98 1.47 -0.85 -0.14 -3.38 117.35 112.17 3f1f s TYR 70 Ca 0.67 -0.98 -0.23 0.00 -0.52 0.00 0.00 57.07 56.01 3f1f s TYR 70 Cb -0.33 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 41.98 3f1f s TYR 70 CO 0.57 -0.92 1.65 0.08 -1.52 0.00 0.00 175.55 175.40 3f1f s VAL 71 N -3.93 3.74 0.41 -3.49 1.01 -0.59 -1.23 120.40 116.32 3f1f s VAL 71 Ca 0.28 -0.64 0.13 0.00 0.00 0.00 0.00 61.98 61.75 3f1f s VAL 71 Cb 0.01 -4.67 0.14 0.00 0.00 0.00 0.00 36.38 31.87 3f1f s VAL 71 CO 0.11 -1.56 1.91 0.50 0.00 0.00 0.00 175.10 176.06 3f1f h LYS 72 N 10.31 0.02 -1.00 2.72 3.64 -1.65 -1.84 116.57 128.76 3f1f h LYS 72 Ca 0.17 -0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.89 3f1f h LYS 72 Cb 1.00 -0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.63 3f1f h LYS 72 CO 1.35 0.28 1.00 0.00 -2.27 0.00 0.00 179.45 179.81 3f1f s ALA 73 N -4.45 -2.29 -0.30 5.00 0.00 -1.06 -4.82 121.76 113.84 3f1f s ALA 73 Ca -0.04 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 3f1f s ALA 73 Cb 0.15 -0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.19 3f1f s ALA 73 CO 0.71 -0.67 1.26 0.00 0.00 0.00 0.00 175.76 177.07 3f1f s ALA 74 N -2.00 -3.35 0.28 0.00 0.00 -1.26 0.01 121.76 115.44 3f1f s ALA 74 Ca 0.13 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.83 3f1f s ALA 74 Cb 0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 3f1f s ALA 74 CO -0.03 -1.05 0.14 1.52 0.00 0.00 0.00 175.76 176.33 3f1f s TYR 75 N 2.21 1.53 -0.16 0.00 1.13 -0.89 -4.86 117.35 116.31 3f1f s TYR 75 Ca -0.01 -1.32 -0.04 0.00 -1.41 0.00 0.00 57.07 54.29 3f1f s TYR 75 Cb -0.02 -0.83 0.07 0.00 -1.10 0.00 0.00 41.96 40.08 3f1f s TYR 75 CO -0.15 -0.49 0.17 0.54 -2.51 0.00 0.00 175.55 173.12 3f1f s VAL 76 N -3.72 -0.25 0.16 -3.49 0.11 -1.26 -1.36 120.40 110.59 3f1f s VAL 76 Ca 0.37 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 3f1f s VAL 76 Cb 0.06 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3f1f s VAL 76 CO 0.16 -0.11 0.30 -1.81 -3.33 0.00 0.00 175.10 170.31 3f1f s ASP 77 N 2.28 6.35 -0.16 3.54 1.01 -0.30 -4.90 116.67 124.48 3f1f s ASP 77 Ca 0.05 0.20 -0.25 0.00 0.71 0.00 0.00 52.55 53.26 3f1f s ASP 77 Cb -0.15 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 3f1f s ASP 77 CO -0.09 0.03 0.80 -0.70 0.21 0.00 0.00 175.17 175.42 3f1f s GLU 78 N -3.26 4.30 0.78 8.23 2.12 -1.26 -0.61 118.70 129.00 3f1f s GLU 78 Ca 0.35 0.96 -0.07 0.00 0.36 0.00 0.00 54.97 56.57 3f1f s GLU 78 Cb -0.11 -3.56 0.13 0.00 0.26 0.00 0.00 34.13 30.84 3f1f s GLU 78 CO 0.29 -0.29 1.09 0.20 -0.54 0.00 0.00 175.26 176.01 3f1f s GLY 79 N 1.14 1.75 0.54 -1.50 0.00 -0.83 -4.89 107.32 103.52 3f1f s GLY 79 Ca 0.37 -1.33 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 3f1f s GLY 79 CO 0.13 -0.75 0.98 -1.55 0.00 0.00 0.00 173.10 171.90 3f1f n PRO 80 N -3.13 1.09 -1.50 2.90 -0.04 -1.26 -4.28 135.00 128.79 3f1f n PRO 80 Ca 0.13 0.41 -0.29 0.00 -0.04 0.00 0.00 63.50 63.70 3f1f n PRO 80 Cb 0.60 -2.13 0.11 0.00 -0.04 0.00 0.00 33.50 32.05 3f1f n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f1f s ALA 81 N -1.44 1.96 -0.39 0.55 0.00 -1.26 -4.19 121.76 116.98 3f1f s ALA 81 Ca 0.71 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3f1f s ALA 81 Cb -0.46 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3f1f s ALA 81 CO 0.51 -2.03 0.18 -1.17 0.00 0.00 0.00 175.76 173.25 3f1f s LEU 82 N -5.94 2.72 -0.01 0.00 2.96 -0.07 -4.96 118.68 113.38 3f1f s LEU 82 Ca 0.62 -2.29 -0.25 0.00 -0.22 0.00 0.00 54.13 51.99 3f1f s LEU 82 Cb -0.15 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3f1f s LEU 82 CO 0.54 -0.32 0.78 -0.54 -1.32 0.00 0.00 176.35 175.49 3f1f s LYS 83 N 0.77 4.49 0.11 1.98 1.02 -1.26 0.10 119.74 126.94 3f1f s LYS 83 Ca 0.15 1.06 0.05 0.00 0.02 0.00 0.00 55.97 57.25 3f1f s LYS 83 Cb -0.22 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3f1f s LYS 83 CO -0.08 0.12 -0.13 1.03 -0.92 0.00 0.00 175.35 175.38 3f1f s ARG 84 N 0.52 0.94 0.74 1.68 1.81 0.13 -4.95 118.95 119.82 3f1f s ARG 84 Ca 0.41 -1.16 -0.12 0.00 -1.72 0.00 0.00 55.73 53.14 3f1f s ARG 84 Cb -0.19 -0.80 0.04 0.00 -0.45 0.00 0.00 34.95 33.55 3f1f s ARG 84 CO 0.22 0.15 1.13 0.14 -0.68 0.00 0.00 175.30 176.26 3f1f s VAL 85 N -2.03 2.90 -0.42 3.52 -7.23 -1.26 0.24 120.40 116.12 3f1f s VAL 85 Ca 0.06 0.28 0.05 0.00 -1.81 0.00 0.00 61.98 60.56 3f1f s VAL 85 Cb -0.05 -3.29 0.17 0.00 0.56 0.00 0.00 36.38 33.77 3f1f s VAL 85 CO 0.02 -0.38 0.50 -0.22 -0.31 0.00 0.00 175.10 174.71 3f1f s LEU 86 N -5.44 -0.38 0.24 1.32 2.96 0.91 -4.55 118.68 113.75 3f1f s LEU 86 Ca 0.60 -1.78 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 3f1f s LEU 86 Cb -0.11 0.94 -0.15 0.00 0.50 0.00 0.00 46.19 47.37 3f1f s LEU 86 CO 0.50 -0.17 0.85 -2.65 -1.32 0.00 0.00 176.35 173.56 3f1f n PRO 87 N 3.67 0.83 -4.09 0.98 -0.02 -1.26 -3.30 135.00 131.81 3f1f n PRO 87 Ca 0.16 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 3f1f n PRO 87 Cb 0.50 -1.54 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 3f1f n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3f1f s ARG 88 N -1.24 0.62 0.98 -0.52 6.06 -0.54 -4.91 118.95 119.39 3f1f s ARG 88 Ca 0.62 -1.08 -0.15 0.00 -2.50 0.00 0.00 55.73 52.63 3f1f s ARG 88 Cb -0.80 -0.03 -0.01 0.00 0.06 0.00 0.00 34.95 34.17 3f1f s ARG 88 CO 0.58 -0.04 0.02 0.00 -2.50 0.00 0.00 175.30 173.36 3f1f n ALA 89 N 0.54 -3.54 -0.66 6.12 0.00 -1.26 -2.03 120.51 119.68 3f1f n ALA 89 Ca -0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.53 3f1f n ALA 89 Cb 0.59 -1.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3f1f n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1f n ARG 90 N -0.62 -1.63 -0.02 0.00 1.74 -1.26 -2.32 116.66 112.56 3f1f n ARG 90 Ca 0.04 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3f1f n ARG 90 Cb 0.56 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.25 3f1f n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1f n GLY 91 N 0.12 0.32 3.62 -0.13 0.00 -0.86 -5.08 105.19 103.18 3f1f n GLY 91 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3f1f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 92 N -0.91 0.34 -0.27 1.61 0.52 -0.98 -4.82 118.95 114.44 3f1f s ARG 92 Ca 0.00 0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 56.12 3f1f s ARG 92 Cb 0.00 -1.70 0.15 0.00 0.52 0.00 0.00 34.95 33.92 3f1f s ARG 92 CO 0.00 -2.90 0.39 0.00 0.02 0.00 0.00 175.30 172.82 3f1f s ALA 93 N -2.72 -1.14 0.62 2.13 0.00 -1.26 -1.47 121.76 117.92 3f1f s ALA 93 Ca 0.66 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 3f1f s ALA 93 Cb -0.21 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3f1f s ALA 93 CO 0.60 -1.51 1.04 -0.51 0.00 0.00 0.00 175.76 175.38 3f1f s ASP 94 N 2.54 5.89 -0.33 0.00 -0.00 -1.21 -4.77 116.67 118.80 3f1f s ASP 94 Ca 0.11 1.63 -0.06 0.00 -0.00 0.00 0.00 52.55 54.24 3f1f s ASP 94 Cb -0.14 -2.50 0.04 0.00 -0.00 0.00 0.00 42.92 40.32 3f1f s ASP 94 CO -0.23 -1.09 0.09 0.27 -0.00 0.00 0.00 175.17 174.21 3f1f s ILE 95 N -2.82 3.67 -0.22 0.77 -4.36 -1.26 -0.06 121.20 116.93 3f1f s ILE 95 Ca 0.59 -1.18 -0.29 0.00 -0.26 0.00 0.00 60.65 59.52 3f1f s ILE 95 Cb -0.13 -3.09 0.01 0.00 1.25 0.00 0.00 42.46 40.50 3f1f s ILE 95 CO 0.45 -0.17 1.03 -0.51 0.24 0.00 0.00 174.94 175.97 3f1f s ILE 96 N 1.38 4.70 -0.40 8.37 1.10 0.68 -4.79 121.20 132.23 3f1f s ILE 96 Ca -0.02 2.02 -0.24 0.00 -0.51 0.00 0.00 60.65 61.90 3f1f s ILE 96 Cb -0.20 -4.31 0.02 0.00 0.15 0.00 0.00 42.46 38.12 3f1f s ILE 96 CO 0.02 -0.16 0.82 -0.54 -2.11 0.00 0.00 174.94 172.98 3f1f s LYS 97 N 3.06 3.66 -0.57 3.50 1.02 -1.26 0.20 119.74 129.35 3f1f s LYS 97 Ca 0.44 0.25 -0.21 0.00 0.02 0.00 0.00 55.97 56.47 3f1f s LYS 97 Cb -0.15 -3.85 0.07 0.00 -0.52 0.00 0.00 37.83 33.37 3f1f s LYS 97 CO 0.07 -0.97 0.80 0.15 -0.92 0.00 0.00 175.35 174.48 3f1f s LYS 98 N 3.29 3.15 0.98 1.68 1.02 0.11 -4.86 119.74 125.11 3f1f s LYS 98 Ca 0.33 -0.82 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 3f1f s LYS 98 Cb -0.12 -4.15 0.19 0.00 -0.52 0.00 0.00 37.83 33.23 3f1f s LYS 98 CO 0.20 -1.50 1.24 1.03 -0.92 0.00 0.00 175.35 175.40 3f1f s ARG 99 N 3.30 0.52 0.17 1.68 0.52 -1.26 -0.89 118.95 122.99 3f1f s ARG 99 Ca 0.20 -0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.09 3f1f s ARG 99 Cb -0.18 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3f1f s ARG 99 CO 0.12 -2.53 0.36 -0.08 0.02 0.00 0.00 175.30 173.19 3f1f s THR 100 N -3.61 0.06 0.02 0.02 -1.32 -1.24 -3.28 115.64 106.28 3f1f s THR 100 Ca 0.71 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 3f1f s THR 100 Cb -0.07 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 3f1f s THR 100 CO 0.53 -0.26 -0.07 -0.44 -2.21 0.00 0.00 174.62 172.17 3f1f s SER 101 N -2.93 0.83 -0.26 8.08 0.01 -0.39 -1.97 113.70 117.07 3f1f s SER 101 Ca 0.14 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 3f1f s SER 101 Cb 0.02 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.22 3f1f s SER 101 CO -0.02 -0.03 -0.01 -1.00 0.41 0.00 0.00 173.24 172.60 3f1f s HIS 102 N -0.64 3.07 -0.27 2.43 3.76 0.22 -0.29 115.29 123.57 3f1f s HIS 102 Ca -0.02 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 53.60 3f1f s HIS 102 Cb -0.06 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 3f1f s HIS 102 CO 0.00 -0.64 0.06 0.42 -0.85 0.00 0.00 174.74 173.73 3f1f s ILE 103 N 1.42 3.97 -0.03 0.60 1.01 -0.76 -1.14 121.20 126.26 3f1f s ILE 103 Ca 0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 3f1f s ILE 103 Cb -0.16 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3f1f s ILE 103 CO -0.02 0.22 0.04 -0.89 0.00 0.00 0.00 174.94 174.29 3f1f s THR 104 N 1.53 4.46 -0.12 2.92 2.01 -0.46 -1.95 115.64 124.02 3f1f s THR 104 Ca 0.04 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 3f1f s THR 104 Cb -0.16 -2.98 0.06 0.00 0.01 0.00 0.00 72.50 69.43 3f1f s THR 104 CO 0.02 0.44 0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 3f1f s VAL 105 N -1.07 -0.19 -0.13 3.82 1.01 -0.65 -2.09 120.40 121.09 3f1f s VAL 105 Ca 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 3f1f s VAL 105 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3f1f s VAL 105 CO 0.09 -0.04 -0.04 0.27 0.00 0.00 0.00 175.10 175.38 3f1f s ILE 106 N 2.23 3.86 0.13 2.22 -4.36 0.10 -3.00 121.20 122.39 3f1f s ILE 106 Ca 0.04 -0.38 0.05 0.00 -0.26 0.00 0.00 60.65 60.10 3f1f s ILE 106 Cb -0.14 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 3f1f s ILE 106 CO -0.07 0.52 0.07 -0.76 0.24 0.00 0.00 174.94 174.94 3f1f s LEU 107 N 0.03 3.62 0.04 0.37 1.02 0.07 -1.76 118.68 122.07 3f1f s LEU 107 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 54.13 53.95 3f1f s LEU 107 Cb -0.13 -2.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.77 3f1f s LEU 107 CO 0.03 0.12 0.00 -0.83 0.02 0.00 0.00 176.35 175.69 3f1f s GLY 108 N -2.76 0.35 0.39 -3.19 0.00 -0.37 -0.60 107.32 101.13 3f1f s GLY 108 Ca 0.29 -0.93 -0.27 0.00 0.00 0.00 0.00 44.72 43.81 3f1f s GLY 108 CO 0.21 -1.04 1.48 -0.54 0.00 0.00 0.00 173.10 173.21 3f1f s GLU 109 N -3.14 4.01 0.20 2.90 0.41 -1.25 -0.97 118.70 120.86 3f1f s GLU 109 Ca -0.00 2.55 -0.19 0.00 -0.41 0.00 0.00 54.97 56.91 3f1f s GLU 109 Cb 0.02 -2.90 0.16 0.00 -1.78 0.00 0.00 34.13 29.63 3f1f s GLU 109 CO -0.07 -0.60 1.59 -0.22 -0.49 0.00 0.00 175.26 175.46 3f1f h LYS 110 N 2.85 -0.12 0.00 1.61 1.63 -1.83 -3.45 116.57 117.26 3f1f h LYS 110 Ca -0.51 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3f1f h LYS 110 Cb 1.25 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 3f1f h LYS 110 CO 0.63 -0.08 0.00 -2.39 -3.45 0.00 0.00 179.45 174.16 3f1f n HIS 111 N -5.44 0.00 -1.65 1.91 1.44 -1.26 -4.98 115.22 105.24 3f1f n HIS 111 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 3f1f n HIS 111 Cb 0.36 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.47 3f1f n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94