#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s ARG 3 N 0.00 3.21 -1.09 -0.52 3.52 -1.26 -5.04 118.95 117.77 3f1f s ARG 3 Ca 0.00 -0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 54.67 3f1f s ARG 3 Cb 0.00 -3.49 0.20 0.00 -1.56 0.00 0.00 34.95 30.10 3f1f s ARG 3 CO 0.00 -0.44 1.22 0.00 -0.81 0.00 0.00 175.30 175.26 3f1f s ALA 4 N 1.56 4.12 0.98 6.12 0.00 -1.26 -5.03 121.76 128.26 3f1f s ALA 4 Ca 0.04 -3.40 -0.15 0.00 0.00 0.00 0.00 51.96 48.45 3f1f s ALA 4 Cb -0.17 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.07 3f1f s ALA 4 CO 0.05 -2.59 0.11 1.63 0.00 0.00 0.00 175.76 174.96 3f1f n LYS 5 N 4.75 -0.41 0.20 0.00 5.02 -1.26 -4.89 118.16 121.58 3f1f n LYS 5 Ca 0.28 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.33 3f1f n LYS 5 Cb 0.43 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3f1f n LYS 5 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3f1f h THR 6 N -1.53 0.32 0.00 -0.18 2.02 -2.05 -3.47 112.91 108.02 3f1f h THR 6 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3f1f h THR 6 Cb 1.30 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3f1f h THR 6 CO 0.33 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.83 3f1f n GLY 7 N -1.44 0.83 0.20 2.16 0.00 -1.26 -3.62 105.19 102.07 3f1f n GLY 7 Ca -0.09 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 3f1f n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f1f h VAL 8 N 0.00 1.31 -0.17 1.61 2.07 -2.03 -3.40 116.25 115.63 3f1f h VAL 8 Ca 0.00 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3f1f h VAL 8 Cb 0.00 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3f1f h VAL 8 CO 0.00 0.50 -0.10 0.52 0.02 0.00 0.00 177.57 178.51 3f1f n VAL 9 N -4.22 -0.12 -0.10 2.57 0.31 -1.24 -1.08 118.33 114.44 3f1f n VAL 9 Ca -0.05 0.82 -0.06 0.00 -0.01 0.00 0.00 64.34 65.05 3f1f n VAL 9 Cb 0.53 -1.06 0.02 0.00 -0.91 0.00 0.00 33.84 32.42 3f1f n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3f1f h ARG 10 N 0.00 0.12 -0.21 5.55 2.43 -1.82 -1.68 114.38 118.76 3f1f h ARG 10 Ca 0.03 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3f1f h ARG 10 Cb 0.07 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 3f1f h ARG 10 CO -0.16 0.08 -0.30 -0.09 -1.51 0.00 0.00 179.97 177.99 3f1f h ARG 11 N 0.13 -0.32 -0.84 0.20 2.43 -1.38 -1.23 114.38 113.37 3f1f h ARG 11 Ca 0.17 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3f1f h ARG 11 Cb 0.23 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3f1f h ARG 11 CO -0.27 -0.21 0.51 0.00 -1.51 0.00 0.00 179.97 178.49 3f1f h ARG 12 N -0.33 0.87 -0.46 0.20 3.08 -1.19 0.14 114.38 116.70 3f1f h ARG 12 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3f1f h ARG 12 Cb 0.52 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3f1f h ARG 12 CO -0.40 0.58 0.21 -0.22 -1.07 0.00 0.00 179.97 179.07 3f1f h LYS 13 N 0.90 0.67 0.18 0.04 3.64 -0.69 -0.25 116.57 121.06 3f1f h LYS 13 Ca 0.38 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3f1f h LYS 13 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3f1f h LYS 13 CO -0.20 0.59 -0.09 0.45 -2.27 0.00 0.00 179.45 177.93 3f1f h HIS 14 N 0.60 -0.23 -0.52 1.91 3.86 -0.08 -2.82 115.15 117.88 3f1f h HIS 14 Ca 0.16 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3f1f h HIS 14 Cb 0.14 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3f1f h HIS 14 CO -0.00 0.01 0.33 -0.22 0.86 0.00 0.00 177.93 178.90 3f1f h LYS 15 N -0.43 0.64 -0.79 2.45 3.64 -0.64 0.17 116.57 121.61 3f1f h LYS 15 Ca -0.02 -0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.51 3f1f h LYS 15 Cb 0.33 -0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 31.88 3f1f h LYS 15 CO 0.04 0.43 0.12 -0.22 -2.27 0.00 0.00 179.45 177.54 3f1f h LYS 16 N 0.66 0.17 -0.07 1.90 3.64 -0.99 -0.09 116.57 121.79 3f1f h LYS 16 Ca 0.20 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.33 3f1f h LYS 16 Cb -0.03 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3f1f h LYS 16 CO -0.07 0.11 -0.92 0.82 -2.27 0.00 0.00 179.45 177.13 3f1f h ILE 17 N 0.17 1.29 0.00 2.00 2.04 -0.92 -3.22 117.51 118.87 3f1f h ILE 17 Ca 0.46 -2.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 3f1f h ILE 17 Cb 0.85 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3f1f h ILE 17 CO -0.63 0.67 -0.12 0.25 0.00 0.00 0.00 178.15 178.32 3f1f h LEU 18 N 0.44 0.00 0.23 1.44 5.85 0.10 0.19 115.31 123.56 3f1f h LEU 18 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3f1f h LEU 18 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3f1f h LEU 18 CO 0.18 0.12 -0.11 0.11 -0.34 0.00 0.00 178.44 178.40 3f1f h LYS 19 N 0.00 -0.30 -1.55 1.25 1.57 -1.19 -3.01 116.57 113.35 3f1f h LYS 19 Ca -0.00 0.02 0.45 0.00 -1.87 0.00 0.00 60.65 59.25 3f1f h LYS 19 Cb 0.21 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3f1f h LYS 19 CO 0.02 -0.03 1.11 -0.07 -0.57 0.00 0.00 179.45 179.91 3f1f h LEU 20 N -0.54 0.02 -2.15 2.94 -0.00 -0.98 0.30 115.31 114.90 3f1f h LEU 20 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3f1f h LEU 20 Cb 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 3f1f h LEU 20 CO 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 178.44 178.48 3f1f n ALA 21 N -2.82 2.41 -1.76 1.53 0.00 -1.03 -4.97 120.51 113.87 3f1f n ALA 21 Ca 0.35 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 3f1f n ALA 21 Cb 1.60 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 3f1f n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3f1f n LYS 22 N 1.22 2.70 0.00 0.00 4.76 0.11 -2.26 118.16 124.69 3f1f n LYS 22 Ca 0.20 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.59 3f1f n LYS 22 Cb 0.50 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.98 3f1f n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1f n GLY 23 N 1.36 3.17 3.76 0.72 0.00 -1.26 -5.04 105.19 107.90 3f1f n GLY 23 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3f1f n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1f n TYR 24 N -0.99 2.81 -1.72 1.61 0.53 -0.96 -4.89 117.16 113.56 3f1f n TYR 24 Ca 0.00 0.45 -0.41 0.00 -1.02 0.00 0.00 57.90 56.92 3f1f n TYR 24 Cb 0.00 -2.49 0.01 0.00 -1.03 0.00 0.00 39.34 35.82 3f1f n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 3f1f n TRP 25 N 0.15 2.39 -2.82 -0.72 -0.00 -1.26 -4.10 117.44 111.08 3f1f n TRP 25 Ca 0.03 0.50 0.00 0.00 -0.00 0.00 0.00 57.50 58.03 3f1f n TRP 25 Cb 0.40 -2.42 0.00 0.00 -0.00 0.00 0.00 31.31 29.28 3f1f n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3f1f n GLY 26 N 0.71 1.08 0.09 5.87 0.00 -1.26 -2.01 105.19 109.66 3f1f n GLY 26 Ca 0.05 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3f1f n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f1f n LEU 27 N 0.00 0.23 0.00 0.99 0.00 -1.26 -1.69 117.00 115.26 3f1f n LEU 27 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 56.01 56.53 3f1f n LEU 27 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 43.42 42.93 3f1f n LEU 27 CO 0.00 -0.59 0.49 -1.14 0.00 0.00 0.00 177.39 176.15 3f1f n ARG 28 N -1.78 0.95 0.00 1.96 0.63 -0.85 -1.58 116.66 115.99 3f1f n ARG 28 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3f1f n ARG 28 Cb 0.16 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.06 3f1f n ARG 28 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3f1f n SER 29 N -0.51 0.06 -0.08 6.15 3.41 -0.68 -3.79 113.62 118.18 3f1f n SER 29 Ca 0.01 -0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 57.63 3f1f n SER 29 Cb 0.00 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3f1f n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f1f n LYS 30 N -0.01 0.37 -3.23 4.33 4.76 -0.99 -4.82 118.16 118.58 3f1f n LYS 30 Ca 0.00 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 55.15 3f1f n LYS 30 Cb 0.20 -1.29 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 3f1f n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3f1f s SER 31 N -5.51 6.79 0.15 4.39 1.04 -0.61 -4.97 113.70 114.98 3f1f s SER 31 Ca -0.20 0.94 -0.23 0.00 0.48 0.00 0.00 55.95 56.94 3f1f s SER 31 Cb 0.05 -2.33 0.03 0.00 0.10 0.00 0.00 66.02 63.88 3f1f s SER 31 CO 0.34 -0.03 1.63 0.15 0.98 0.00 0.00 173.24 176.31 3f1f h PHE 32 N 6.68 -0.66 -0.42 5.02 3.57 -1.92 -1.79 116.94 127.42 3f1f h PHE 32 Ca -0.41 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.18 3f1f h PHE 32 Cb 1.19 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 3f1f h PHE 32 CO 0.63 -0.33 0.15 0.00 -2.23 0.00 0.00 178.31 176.53 3f1f h ARG 33 N -0.25 0.31 -0.13 1.11 3.08 -1.95 0.12 114.38 116.68 3f1f h ARG 33 Ca 0.14 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3f1f h ARG 33 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3f1f h ARG 33 CO -0.40 0.20 -0.32 0.87 -1.07 0.00 0.00 179.97 179.25 3f1f h LYS 34 N 0.32 0.44 -0.36 0.04 1.79 -1.84 -2.68 116.57 114.28 3f1f h LYS 34 Ca 0.20 -0.31 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 3f1f h LYS 34 Cb 0.18 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 3f1f h LYS 34 CO -0.20 0.92 0.05 0.00 -1.08 0.00 0.00 179.45 179.14 3f1f h ALA 35 N 0.52 0.37 -0.16 3.86 0.00 -0.94 -1.33 119.26 121.57 3f1f h ALA 35 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3f1f h ALA 35 Cb 0.93 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3f1f h ALA 35 CO 0.07 -0.36 -0.28 -0.09 0.00 0.00 0.00 179.25 178.59 3f1f h ARG 36 N 0.16 -0.33 -0.85 0.00 2.43 -0.73 0.29 114.38 115.36 3f1f h ARG 36 Ca 0.17 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.57 3f1f h ARG 36 Cb 0.21 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3f1f h ARG 36 CO -0.25 -0.22 0.57 0.93 -1.51 0.00 0.00 179.97 179.50 3f1f h GLU 37 N -0.34 0.28 -0.05 0.20 5.08 -1.04 -0.72 114.58 117.99 3f1f h GLU 37 Ca 0.11 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3f1f h GLU 37 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3f1f h GLU 37 CO -0.35 0.18 -0.26 1.15 -1.00 0.00 0.00 179.01 178.74 3f1f h THR 38 N 0.29 1.45 -0.38 1.13 2.02 0.09 -3.18 112.91 114.33 3f1f h THR 38 Ca 0.43 -1.72 0.05 0.00 0.77 0.00 0.00 66.41 65.94 3f1f h THR 38 Cb 1.23 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 70.01 3f1f h THR 38 CO -0.12 0.48 0.12 -0.07 0.37 0.00 0.00 175.52 176.31 3f1f h LEU 39 N -0.28 0.12 -0.57 2.58 3.38 0.35 0.64 115.31 121.53 3f1f h LEU 39 Ca -0.02 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3f1f h LEU 39 Cb 0.92 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 3f1f h LEU 39 CO 0.05 0.10 -0.46 -0.26 0.09 0.00 0.00 178.44 177.97 3f1f h PHE 40 N 0.27 -1.45 -0.32 1.13 -1.00 -1.36 0.36 116.94 114.58 3f1f h PHE 40 Ca 0.18 0.09 0.07 0.00 2.81 0.00 0.00 57.97 61.11 3f1f h PHE 40 Cb 0.17 0.71 -0.08 0.00 3.61 0.00 0.00 35.95 40.35 3f1f h PHE 40 CO -0.15 -0.34 -0.21 0.00 -1.61 0.00 0.00 178.31 175.99 3f1f h ALA 41 N -0.05 -0.00 -0.73 2.45 0.00 -1.30 -2.09 119.26 117.53 3f1f h ALA 41 Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3f1f h ALA 41 Cb 0.40 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3f1f h ALA 41 CO -0.62 -0.60 0.37 0.00 0.00 0.00 0.00 179.25 178.40 3f1f h ALA 42 N 0.99 0.94 -0.13 0.00 0.00 0.20 0.36 119.26 121.62 3f1f h ALA 42 Ca 0.16 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3f1f h ALA 42 Cb 0.43 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3f1f h ALA 42 CO -0.42 0.49 -0.22 0.78 0.00 0.00 0.00 179.25 179.87 3f1f h GLY 43 N 1.02 -0.21 1.31 0.00 0.00 0.18 0.32 103.07 105.69 3f1f h GLY 43 Ca 0.25 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 3f1f h GLY 43 CO -0.04 -0.19 0.24 3.43 0.00 0.00 0.00 176.54 179.98 3f1f h ASN 44 N -0.28 0.81 0.86 0.19 -0.26 -0.70 -2.31 115.58 113.89 3f1f h ASN 44 Ca 0.10 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 3f1f h ASN 44 Cb 0.43 -0.21 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3f1f h ASN 44 CO -0.30 0.73 -0.41 1.88 -1.06 0.00 0.00 177.43 178.28 3f1f h TYR 45 N 0.87 -1.07 -0.34 1.19 0.99 0.64 -2.21 116.97 117.05 3f1f h TYR 45 Ca 0.21 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.95 3f1f h TYR 45 Cb 0.18 0.35 -0.07 0.00 1.00 0.00 0.00 36.73 38.19 3f1f h TYR 45 CO 0.01 -0.66 -0.50 0.00 -0.00 0.00 0.00 178.16 177.01 3f1f h ALA 46 N -1.45 -0.75 -0.76 3.88 0.00 -0.28 0.16 119.26 120.05 3f1f h ALA 46 Ca -0.12 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.00 3f1f h ALA 46 Cb 0.88 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 3f1f h ALA 46 CO 0.19 -0.99 0.54 -0.92 0.00 0.00 0.00 179.25 178.08 3f1f h TYR 47 N -0.38 0.09 0.00 0.00 3.20 -1.44 0.41 116.97 118.85 3f1f h TYR 47 Ca 0.06 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.71 3f1f h TYR 47 Cb 0.55 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 3f1f h TYR 47 CO -0.70 0.03 -1.13 0.00 -1.64 0.00 0.00 178.16 174.72 3f1f h ALA 48 N 1.63 0.44 0.00 1.82 0.00 -0.27 -3.29 119.26 119.58 3f1f h ALA 48 Ca 0.37 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 3f1f h ALA 48 Cb 1.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3f1f h ALA 48 CO -0.03 1.30 -0.58 0.45 0.00 0.00 0.00 179.25 180.40 3f1f h HIS 49 N 0.00 0.00 0.17 0.00 3.86 0.24 -2.91 115.15 116.50 3f1f h HIS 49 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3f1f h HIS 49 Cb 1.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.27 3f1f h HIS 49 CO 0.00 0.47 -0.14 0.00 0.86 0.00 0.00 177.93 179.12 3f1f h ARG 50 N 0.00 -0.31 -0.21 2.45 3.08 -0.96 0.74 114.38 119.17 3f1f h ARG 50 Ca -0.02 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3f1f h ARG 50 Cb 1.38 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 3f1f h ARG 50 CO 0.06 -0.21 0.19 0.87 -1.07 0.00 0.00 179.97 179.82 3f1f h LYS 51 N -0.32 0.00 0.00 0.04 1.79 -1.62 -2.07 116.57 114.39 3f1f h LYS 51 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3f1f h LYS 51 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3f1f h LYS 51 CO -0.02 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.31 3f1f h ARG 52 N 0.00 0.02 -0.95 3.15 2.47 -0.88 -3.32 114.38 114.87 3f1f h ARG 52 Ca 0.10 -0.03 0.34 0.00 -1.26 0.00 0.00 59.98 59.13 3f1f h ARG 52 Cb 0.49 0.01 -0.17 0.00 -1.65 0.00 0.00 29.97 28.64 3f1f h ARG 52 CO -0.00 0.82 0.29 -2.13 0.56 0.00 0.00 179.97 179.52 3f1f n ARG 53 N -4.67 -0.07 0.02 0.04 0.63 0.24 0.15 116.66 113.00 3f1f n ARG 53 Ca -0.09 1.36 -0.02 0.00 -0.92 0.00 0.00 57.85 58.17 3f1f n ARG 53 Cb 0.41 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 30.99 3f1f n ARG 53 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3f1f h LYS 54 N 0.00 -0.11 -1.00 -0.14 6.56 -1.66 -2.68 116.57 117.55 3f1f h LYS 54 Ca 0.71 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 60.59 3f1f h LYS 54 Cb 1.72 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 33.26 3f1f h LYS 54 CO -0.80 -0.07 0.57 0.00 -2.06 0.00 0.00 179.45 177.09 3f1f h ARG 55 N -0.11 0.41 0.18 3.15 3.08 0.12 0.62 114.38 121.83 3f1f h ARG 55 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3f1f h ARG 55 Cb 0.11 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3f1f h ARG 55 CO -0.04 0.27 -0.08 -0.44 -1.07 0.00 0.00 179.97 178.60 3f1f h ASP 56 N 0.42 -0.20 -0.06 7.04 3.32 -0.93 -1.94 116.42 124.06 3f1f h ASP 56 Ca 0.70 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.51 3f1f h ASP 56 Cb 1.49 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 3f1f h ASP 56 CO -0.56 -0.05 -0.51 -0.26 -1.72 0.00 0.00 179.24 176.14 3f1f h PHE 57 N -0.34 0.78 -1.00 4.55 -1.00 -0.99 0.13 116.94 119.08 3f1f h PHE 57 Ca -0.02 -0.26 0.19 0.00 2.81 0.00 0.00 57.97 60.68 3f1f h PHE 57 Cb 0.26 -0.15 -0.18 0.00 3.61 0.00 0.00 35.95 39.49 3f1f h PHE 57 CO -0.03 1.01 -0.28 0.00 -1.61 0.00 0.00 178.31 177.40 3f1f h ARG 58 N 0.49 -0.00 0.05 1.51 3.08 -0.66 -0.68 114.38 118.17 3f1f h ARG 58 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3f1f h ARG 58 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3f1f h ARG 58 CO 0.10 -0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.98 3f1f h ARG 59 N -0.00 -0.07 -0.84 0.04 3.08 -0.89 -3.07 114.38 112.63 3f1f h ARG 59 Ca 0.45 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.72 3f1f h ARG 59 Cb 0.70 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.63 3f1f h ARG 59 CO -1.02 0.51 0.17 1.25 -1.07 0.00 0.00 179.97 179.81 3f1f h LEU 60 N -0.72 -0.09 -0.49 3.04 6.46 0.41 0.44 115.31 124.35 3f1f h LEU 60 Ca -0.01 0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 3f1f h LEU 60 Cb 0.61 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3f1f h LEU 60 CO 0.01 -0.15 -0.00 -0.50 -0.62 0.00 0.00 178.44 177.17 3f1f h TRP 61 N 0.19 0.95 -0.62 1.25 6.55 -1.26 -2.95 115.95 120.06 3f1f h TRP 61 Ca 0.51 -0.17 0.06 0.00 0.95 0.00 0.00 58.89 60.24 3f1f h TRP 61 Cb 0.98 -0.25 -0.04 0.00 -0.86 0.00 0.00 29.16 29.00 3f1f h TRP 61 CO -0.31 0.90 0.41 0.82 -1.05 0.00 0.00 178.44 179.21 3f1f h ILE 62 N 0.73 1.00 -0.05 1.49 1.08 -0.06 0.40 117.51 122.10 3f1f h ILE 62 Ca 0.14 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3f1f h ILE 62 Cb 0.52 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3f1f h ILE 62 CO 0.03 0.11 -0.03 0.58 -0.69 0.00 0.00 178.15 178.15 3f1f h VAL 63 N 0.60 1.34 -0.39 1.67 2.07 -1.14 -1.04 116.25 119.37 3f1f h VAL 63 Ca 0.27 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3f1f h VAL 63 Cb 0.29 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3f1f h VAL 63 CO -0.08 0.29 0.04 0.03 0.02 0.00 0.00 177.57 177.87 3f1f h ARG 64 N -0.30 0.15 0.29 1.57 2.47 -1.23 0.25 114.38 117.60 3f1f h ARG 64 Ca 0.01 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3f1f h ARG 64 Cb 0.48 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3f1f h ARG 64 CO 0.01 0.10 -0.17 0.82 0.56 0.00 0.00 179.97 181.29 3f1f h ILE 65 N 0.16 0.00 -0.02 2.04 2.04 -0.88 -0.45 117.51 120.40 3f1f h ILE 65 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.05 3f1f h ILE 65 Cb 0.24 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3f1f h ILE 65 CO -0.27 0.00 0.46 -1.13 0.00 0.00 0.00 178.15 177.20 3f1f h ASN 66 N -0.43 0.00 0.12 1.72 -1.24 -1.10 0.80 115.58 115.45 3f1f h ASN 66 Ca -0.04 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 3f1f h ASN 66 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 3f1f h ASN 66 CO 0.05 0.00 -0.06 0.00 -1.29 0.00 0.00 177.43 176.13 3f1f h ALA 67 N 1.10 -0.48 0.00 1.57 0.00 0.87 -2.69 119.26 119.63 3f1f h ALA 67 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3f1f h ALA 67 Cb 0.93 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3f1f h ALA 67 CO -0.00 -0.47 -0.51 0.00 0.00 0.00 0.00 179.25 178.28 3f1f h ALA 68 N -1.77 1.03 0.00 0.00 0.00 -0.50 -1.59 119.26 116.43 3f1f h ALA 68 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3f1f h ALA 68 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3f1f h ALA 68 CO 0.03 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 3f1f h ARG 70 N 0.00 0.02 -0.23 0.00 2.43 -0.93 -2.76 114.38 112.91 3f1f h ARG 70 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3f1f h ARG 70 Cb 0.37 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3f1f h ARG 70 CO 0.01 0.98 0.04 1.96 -1.51 0.00 0.00 179.97 181.45 3f1f h GLN 71 N 0.01 0.33 0.06 0.20 4.20 -1.35 -2.08 115.11 116.48 3f1f h GLN 71 Ca -0.02 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.39 3f1f h GLN 71 Cb 1.72 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.43 3f1f h GLN 71 CO 0.13 0.33 -1.22 0.45 -0.67 0.00 0.00 178.83 177.85 3f1f h HIS 72 N 0.33 0.24 0.00 2.96 3.86 -1.64 -3.48 115.15 117.42 3f1f h HIS 72 Ca 0.08 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3f1f h HIS 72 Cb 0.17 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3f1f h HIS 72 CO 0.00 1.16 0.00 0.41 0.86 0.00 0.00 177.93 180.36 3f1f n GLY 73 N 1.48 0.45 3.50 2.45 0.00 -0.78 -5.16 105.19 107.11 3f1f n GLY 73 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 3f1f n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3f1f s LEU 74 N 0.00 -0.63 0.59 0.99 2.34 -1.05 -5.03 118.68 115.89 3f1f s LEU 74 Ca 0.00 0.53 -0.19 0.00 0.06 0.00 0.00 54.13 54.53 3f1f s LEU 74 Cb 0.00 2.55 -0.04 0.00 -0.56 0.00 0.00 46.19 48.14 3f1f s LEU 74 CO 0.00 -0.70 1.19 0.20 -1.06 0.00 0.00 176.35 175.99 3f1f s ASN 75 N -1.59 5.25 0.29 1.48 0.02 -1.26 -3.66 114.94 115.48 3f1f s ASN 75 Ca -0.08 2.35 0.04 0.00 -1.02 0.00 0.00 52.86 54.15 3f1f s ASN 75 Cb -0.00 -2.60 0.68 0.00 0.02 0.00 0.00 41.25 39.36 3f1f s ASN 75 CO 0.04 -1.55 1.75 0.22 0.02 0.00 0.00 177.10 177.59 3f1f h TYR 76 N 0.90 0.90 0.43 2.20 3.20 -1.92 0.38 116.97 123.07 3f1f h TYR 76 Ca -0.50 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3f1f h TYR 76 Cb 1.29 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3f1f h TYR 76 CO 0.47 0.16 -0.35 0.66 -1.64 0.00 0.00 178.16 177.46 3f1f h SER 77 N 0.64 -0.91 -0.49 -2.11 4.64 -2.00 0.55 113.55 113.88 3f1f h SER 77 Ca 0.54 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 62.00 3f1f h SER 77 Cb 0.88 0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 3f1f h SER 77 CO -0.41 -0.51 0.19 0.74 -0.87 0.00 0.00 176.83 175.97 3f1f h THR 78 N -0.78 0.86 -0.43 2.95 2.02 -1.74 -2.29 112.91 113.50 3f1f h THR 78 Ca -0.04 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.03 3f1f h THR 78 Cb 0.67 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3f1f h THR 78 CO -0.01 0.07 0.25 0.15 0.37 0.00 0.00 175.52 176.34 3f1f h PHE 79 N 0.38 0.46 0.27 3.16 3.57 -0.56 -1.96 116.94 122.26 3f1f h PHE 79 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3f1f h PHE 79 Cb 0.22 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3f1f h PHE 79 CO -0.15 0.26 -0.18 0.82 -2.23 0.00 0.00 178.31 176.83 3f1f h ILE 80 N 0.49 0.62 -1.17 1.41 5.03 -0.61 -1.25 117.51 122.04 3f1f h ILE 80 Ca 0.17 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 65.24 3f1f h ILE 80 Cb 0.02 0.62 -0.07 0.00 -3.03 0.00 0.00 36.82 34.36 3f1f h ILE 80 CO -0.09 0.00 0.80 -0.74 -0.68 0.00 0.00 178.15 177.44 3f1f h HIS 81 N -0.44 0.31 0.00 1.37 2.76 -1.07 0.16 115.15 118.23 3f1f h HIS 81 Ca -0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3f1f h HIS 81 Cb 0.38 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.25 3f1f h HIS 81 CO -0.10 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 176.94 3f1f n GLY 82 N -1.64 -2.61 0.25 5.26 0.00 -0.48 -1.72 105.19 104.26 3f1f n GLY 82 Ca 0.27 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.48 3f1f n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f1f h LEU 83 N 0.00 0.00 -0.40 0.99 4.07 -1.09 1.94 115.31 120.82 3f1f h LEU 83 Ca 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 3f1f h LEU 83 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3f1f h LEU 83 CO 0.00 0.14 -0.79 0.50 -1.08 0.00 0.00 178.44 177.21 3f1f h LYS 84 N 0.00 0.17 0.17 1.13 1.63 -1.08 -1.90 116.57 116.70 3f1f h LYS 84 Ca -0.00 -0.16 -0.35 0.00 -0.85 0.00 0.00 60.65 59.28 3f1f h LYS 84 Cb 0.37 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3f1f h LYS 84 CO 0.02 0.87 -1.80 -0.22 -3.45 0.00 0.00 179.45 174.87 3f1f h LYS 85 N 0.10 0.37 -0.80 1.90 3.11 -0.28 -3.35 116.57 117.62 3f1f h LYS 85 Ca -0.03 -0.63 0.00 0.00 -2.81 0.00 0.00 60.65 57.18 3f1f h LYS 85 Cb 1.38 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.85 3f1f h LYS 85 CO 0.12 1.30 0.00 0.00 -2.81 0.00 0.00 179.45 178.05 3f1f n ALA 86 N -2.89 2.28 0.00 5.00 0.00 0.65 -4.85 120.51 120.71 3f1f n ALA 86 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3f1f n ALA 86 Cb 1.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3f1f n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 87 N 0.09 2.46 3.56 0.00 0.00 -1.05 -4.92 105.19 105.33 3f1f n GLY 87 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3f1f n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3f1f s ILE 88 N -0.26 3.29 -1.59 -0.61 -4.36 -0.74 -4.68 121.20 112.26 3f1f s ILE 88 Ca 0.00 -0.21 0.03 0.00 -0.26 0.00 0.00 60.65 60.21 3f1f s ILE 88 Cb 0.00 -3.66 0.10 0.00 1.25 0.00 0.00 42.46 40.15 3f1f s ILE 88 CO 0.00 -0.62 0.92 -1.84 0.24 0.00 0.00 174.94 173.64 3f1f n GLU 89 N 8.87 1.35 0.00 0.37 0.28 -1.26 -4.41 120.64 125.84 3f1f n GLU 89 Ca 0.41 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3f1f n GLU 89 Cb 0.46 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.06 3f1f n GLU 89 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 3f1f n VAL 90 N -0.10 0.00 -1.56 3.84 3.14 -1.26 -4.54 118.33 117.86 3f1f n VAL 90 Ca 0.04 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.36 3f1f n VAL 90 Cb 0.19 -0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 3f1f n VAL 90 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3f1f n ASP 91 N 0.00 -0.76 -4.72 6.55 4.64 -1.26 -4.80 116.55 116.19 3f1f n ASP 91 Ca 0.00 -0.04 -0.42 0.00 -1.38 0.00 0.00 54.79 52.95 3f1f n ASP 91 Cb 0.00 -0.22 -0.03 0.00 -1.04 0.00 0.00 41.12 39.83 3f1f n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3f1f s ARG 92 N -0.66 4.21 0.19 -0.67 1.04 -1.26 -4.77 118.95 117.03 3f1f s ARG 92 Ca 0.05 2.38 0.08 0.00 -1.04 0.00 0.00 55.73 57.20 3f1f s ARG 92 Cb -0.00 -3.14 0.64 0.00 -2.04 0.00 0.00 34.95 30.41 3f1f s ARG 92 CO 0.12 -0.60 0.86 1.63 -0.04 0.00 0.00 175.30 177.28 3f1f n LYS 93 N 3.67 -0.04 -0.08 3.89 4.01 -1.26 0.14 118.16 128.49 3f1f n LYS 93 Ca 0.13 0.77 -0.12 0.00 -0.51 0.00 0.00 58.31 58.57 3f1f n LYS 93 Cb 0.38 -1.33 -0.07 0.00 -0.51 0.00 0.00 35.03 33.50 3f1f n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3f1f h ASN 94 N 0.00 -1.58 0.01 4.39 -1.24 -1.93 -1.12 115.58 114.11 3f1f h ASN 94 Ca 0.42 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.65 3f1f h ASN 94 Cb 1.06 0.65 0.00 0.00 0.73 0.00 0.00 38.32 40.76 3f1f h ASN 94 CO -0.45 -0.42 0.00 0.18 -1.29 0.00 0.00 177.43 175.46 3f1f n LEU 95 N -5.42 0.00 -0.18 0.34 4.77 0.37 -0.58 117.00 116.30 3f1f n LEU 95 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3f1f n LEU 95 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3f1f n LEU 95 CO 0.06 -0.00 0.33 0.00 -1.33 0.00 0.00 177.39 176.44 3f1f n ALA 96 N -1.01 2.27 0.19 -1.18 0.00 -0.42 -2.88 120.51 117.49 3f1f n ALA 96 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3f1f n ALA 96 Cb 0.05 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.12 3f1f n ALA 96 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3f1f h ASP 97 N 0.07 0.00 -0.25 0.00 2.03 -1.01 -2.42 116.42 114.85 3f1f h ASP 97 Ca 0.00 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.37 3f1f h ASP 97 Cb 0.15 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.64 3f1f h ASP 97 CO 0.00 0.00 0.58 -0.07 -1.03 0.00 0.00 179.24 178.72 3f1f h LEU 98 N 0.00 0.00 -2.74 0.15 3.38 -1.70 0.49 115.31 114.89 3f1f h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f1f h LEU 98 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3f1f h LEU 98 CO 0.00 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.54 3f1f h ALA 99 N 1.07 1.24 0.00 1.53 0.00 -1.69 -3.11 119.26 118.32 3f1f h ALA 99 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3f1f h ALA 99 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3f1f h ALA 99 CO -0.00 -0.01 -0.94 0.28 0.00 0.00 0.00 179.25 178.57 3f1f n VAL 100 N -3.41 1.48 -3.67 0.00 0.31 0.17 -4.55 118.33 108.66 3f1f n VAL 100 Ca -0.03 0.13 -0.37 0.00 -0.01 0.00 0.00 64.34 64.06 3f1f n VAL 100 Cb 0.09 -2.33 -0.06 0.00 -0.91 0.00 0.00 33.84 30.62 3f1f n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3f1f s ARG 101 N -2.69 3.70 -0.79 5.55 0.52 -1.22 -4.53 118.95 119.50 3f1f s ARG 101 Ca -0.25 0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3f1f s ARG 101 Cb 0.04 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3f1f s ARG 101 CO 0.38 0.73 0.67 0.39 0.02 0.00 0.00 175.30 177.48 3f1f n GLU 102 N 1.84 -2.95 -0.07 3.54 -0.58 -1.25 -4.24 120.64 116.93 3f1f n GLU 102 Ca -0.16 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 3f1f n GLU 102 Cb 0.53 -4.69 0.29 0.00 -0.57 0.00 0.00 31.44 27.01 3f1f n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3f1f h PRO 103 N -1.02 0.69 -0.33 3.49 0.13 -1.77 -2.29 132.00 130.90 3f1f h PRO 103 Ca -0.42 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 64.65 3f1f h PRO 103 Cb 1.23 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 3f1f h PRO 103 CO 0.33 0.57 0.10 -0.56 -0.23 0.00 0.00 178.00 178.21 3f1f h GLN 104 N 0.69 0.23 -0.71 0.86 -0.00 -1.91 0.73 115.11 115.00 3f1f h GLN 104 Ca 0.17 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.86 3f1f h GLN 104 Cb 0.13 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.50 3f1f h GLN 104 CO -0.02 0.15 0.41 0.28 -0.00 0.00 0.00 178.83 179.65 3f1f h VAL 105 N 0.24 0.99 -0.02 1.86 2.07 -1.79 0.29 116.25 119.89 3f1f h VAL 105 Ca 0.15 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3f1f h VAL 105 Cb 0.13 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3f1f h VAL 105 CO -0.16 0.14 -0.08 0.15 0.02 0.00 0.00 177.57 177.63 3f1f h PHE 106 N 0.75 -0.21 -0.84 1.57 3.57 -0.68 -2.27 116.94 118.83 3f1f h PHE 106 Ca 0.31 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.91 3f1f h PHE 106 Cb 0.18 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 3f1f h PHE 106 CO -0.07 -0.13 0.55 0.00 -2.23 0.00 0.00 178.31 176.43 3f1f h ALA 107 N 0.87 1.67 -0.57 2.41 0.00 0.18 0.31 119.26 124.12 3f1f h ALA 107 Ca 0.04 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3f1f h ALA 107 Cb 0.19 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3f1f h ALA 107 CO -0.10 0.17 0.19 0.93 0.00 0.00 0.00 179.25 180.44 3f1f h GLU 108 N 0.84 0.34 0.00 0.00 4.39 0.03 -0.25 114.58 119.93 3f1f h GLU 108 Ca 0.38 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.06 3f1f h GLU 108 Cb 0.37 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3f1f h GLU 108 CO -0.15 0.23 0.00 -0.07 -1.16 0.00 0.00 179.01 177.86 3f1f h LEU 109 N 0.35 0.00 0.17 1.33 3.38 0.09 -2.05 115.31 118.58 3f1f h LEU 109 Ca 0.29 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.95 3f1f h LEU 109 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.14 3f1f h LEU 109 CO -0.31 0.00 -1.30 0.58 0.09 0.00 0.00 178.44 177.50 3f1f h VAL 110 N 0.00 1.30 0.02 1.22 2.07 0.41 -2.54 116.25 118.73 3f1f h VAL 110 Ca 0.00 -2.54 -0.22 0.00 0.82 0.00 0.00 66.70 64.76 3f1f h VAL 110 Cb 0.52 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3f1f h VAL 110 CO 0.00 0.77 -0.86 -0.33 0.02 0.00 0.00 177.57 177.17 3f1f h GLU 111 N 0.18 0.54 -0.83 1.57 4.39 -1.30 0.71 114.58 119.85 3f1f h GLU 111 Ca -0.21 -0.61 0.16 0.00 0.34 0.00 0.00 59.36 59.03 3f1f h GLU 111 Cb 1.99 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 30.72 3f1f h GLU 111 CO 0.25 1.23 0.39 0.00 -1.16 0.00 0.00 179.01 179.72 3f1f h ARG 112 N 0.12 0.52 0.34 2.33 2.47 -1.49 0.22 114.38 118.89 3f1f h ARG 112 Ca -0.11 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 3f1f h ARG 112 Cb 1.55 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 3f1f h ARG 112 CO 0.17 0.34 -0.16 0.00 0.56 0.00 0.00 179.97 180.88 3f1f h ALA 113 N 1.58 -0.46 -0.78 0.04 0.00 -1.34 -2.72 119.26 115.59 3f1f h ALA 113 Ca 0.47 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.37 3f1f h ALA 113 Cb 0.72 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 3f1f h ALA 113 CO -0.40 -0.51 0.21 0.87 0.00 0.00 0.00 179.25 179.42 3f1f h LYS 114 N -0.96 0.27 0.00 0.00 1.57 -0.46 -0.47 116.57 116.51 3f1f h LYS 114 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3f1f h LYS 114 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3f1f h LYS 114 CO 0.08 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 3f1f n ALA 115 N -2.66 -0.26 0.16 3.86 0.00 0.73 -3.05 120.51 119.29 3f1f n ALA 115 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 3f1f n ALA 115 Cb 0.51 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.53 3f1f n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f n ALA 116 N -1.34 1.01 -0.07 0.00 0.00 -1.03 -1.43 120.51 117.66 3f1f n ALA 116 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3f1f n ALA 116 Cb 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.24 3f1f n ALA 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3f1f h GLN 117 N 0.00 0.74 0.00 0.00 -0.00 -1.00 -3.44 115.11 111.41 3f1f h GLN 117 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 3f1f h GLN 117 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.51 3f1f h GLN 117 CO 0.00 0.96 0.00 0.41 0.00 0.00 0.00 178.83 180.20