#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4r s PRO 2 N 0.00 3.77 -0.54 0.03 0.04 -1.26 -5.01 135.00 132.03 1v4r s PRO 2 Ca 0.00 0.08 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 1v4r s PRO 2 Cb 0.00 -3.76 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1v4r s PRO 2 CO 0.00 -0.60 1.83 0.71 0.04 0.00 0.00 177.00 178.98 1v4r s TYR 3 N 2.51 1.72 -0.29 0.56 2.02 -1.26 -4.53 117.35 118.08 1v4r s TYR 3 Ca 0.22 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.52 1v4r s TYR 3 Cb -0.15 -4.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.28 1v4r s TYR 3 CO 0.13 -2.43 0.43 0.21 -1.57 0.00 0.00 175.55 172.32 1v4r s LYS 4 N 6.66 3.92 0.26 -0.62 2.20 -1.24 -5.04 119.74 125.89 1v4r s LYS 4 Ca 0.70 0.03 -0.26 0.00 -0.36 0.00 0.00 55.97 56.08 1v4r s LYS 4 Cb -0.15 -3.69 -0.09 0.00 -1.51 0.00 0.00 37.83 32.39 1v4r s LYS 4 CO 0.24 -0.38 0.89 0.00 -0.36 0.00 0.00 175.35 175.74 1v4r s ALA 5 N 2.18 3.31 -0.42 3.13 0.00 -1.26 -2.63 121.76 126.07 1v4r s ALA 5 Ca 0.17 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1v4r s ALA 5 Cb -0.16 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1v4r s ALA 5 CO 0.10 0.22 1.15 -1.25 0.00 0.00 0.00 175.76 175.99 1v4r s PRO 6 N -1.69 3.82 -0.03 0.00 0.04 -1.09 -4.66 135.00 131.40 1v4r s PRO 6 Ca 0.45 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 1v4r s PRO 6 Cb -0.21 -3.87 -0.14 0.00 0.04 0.00 0.00 34.50 30.32 1v4r s PRO 6 CO 0.26 -1.25 0.94 0.93 0.04 0.00 0.00 177.00 177.92 1v4r h GLU 7 N 9.03 -0.40 -0.04 4.56 5.08 -1.95 -3.43 114.58 127.43 1v4r h GLU 7 Ca -0.23 0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1v4r h GLU 7 Cb 1.07 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.21 1v4r h GLU 7 CO 1.09 -0.07 -0.44 0.41 -1.00 0.00 0.00 179.01 179.00 1v4r n GLY 8 N 0.18 1.30 3.31 -3.84 0.00 -1.26 -5.13 105.19 99.76 1v4r n GLY 8 Ca -0.08 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1v4r n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v4r s LYS 9 N -0.34 1.28 0.00 1.61 -2.85 -1.26 -5.14 119.74 113.04 1v4r s LYS 9 Ca 0.10 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1v4r s LYS 9 Cb 0.25 -1.58 0.00 0.00 -2.06 0.00 0.00 37.83 34.44 1v4r s LYS 9 CO -0.07 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1v4r n GLY 10 N 1.20 2.88 0.06 0.59 0.00 -1.26 -4.87 105.19 103.79 1v4r n GLY 10 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1v4r n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1v4r n TYR 11 N 0.00 0.02 0.07 1.61 4.11 -1.26 -2.97 117.16 118.74 1v4r n TYR 11 Ca 0.00 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.90 57.68 1v4r n TYR 11 Cb 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 39.34 39.18 1v4r n TYR 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1v4r h ALA 12 N 2.94 0.17 -0.18 -3.48 0.00 -1.94 -2.91 119.26 113.86 1v4r h ALA 12 Ca 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 54.91 53.64 1v4r h ALA 12 Cb 0.06 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1v4r h ALA 12 CO 0.00 1.04 -0.50 0.22 0.00 0.00 0.00 179.25 180.01 1v4r h ASP 13 N 0.10 0.55 -0.20 0.00 3.58 -1.91 -0.95 116.42 117.59 1v4r h ASP 13 Ca -0.31 -0.27 -0.14 0.00 0.42 0.00 0.00 57.03 56.72 1v4r h ASP 13 Cb 2.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.98 1v4r h ASP 13 CO 0.18 0.95 -0.42 1.62 -2.88 0.00 0.00 179.24 178.70 1v4r h VAL 14 N 0.40 1.33 -0.79 2.25 3.04 -1.70 0.70 116.25 121.47 1v4r h VAL 14 Ca 0.02 -1.65 0.03 0.00 -1.01 0.00 0.00 66.70 64.09 1v4r h VAL 14 Cb 1.01 1.87 -0.04 0.00 -2.01 0.00 0.00 31.29 32.12 1v4r h VAL 14 CO 0.09 0.51 0.52 0.00 -1.01 0.00 0.00 177.57 177.68 1v4r h ALA 15 N 0.60 1.53 -0.20 3.17 0.00 -1.41 0.37 119.26 123.31 1v4r h ALA 15 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1v4r h ALA 15 Cb 1.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1v4r h ALA 15 CO 0.09 0.40 -0.07 1.15 0.00 0.00 0.00 179.25 180.82 1v4r h THR 16 N 0.97 1.30 0.00 0.00 2.02 -0.94 -3.13 112.91 113.13 1v4r h THR 16 Ca 0.31 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1v4r h THR 16 Cb 0.04 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1v4r h THR 16 CO -0.09 0.33 -0.07 -0.74 0.37 0.00 0.00 175.52 175.31 1v4r h HIS 17 N 0.11 0.00 0.00 3.16 6.17 -0.22 -3.00 115.15 121.38 1v4r h HIS 17 Ca 0.05 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.03 1v4r h HIS 17 Cb 0.53 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.45 1v4r h HIS 17 CO 0.06 0.07 -0.45 0.35 0.71 0.00 0.00 177.93 178.67 1v4r h PHE 18 N 0.00 0.00 0.00 5.26 3.57 -0.28 -1.67 116.94 123.82 1v4r h PHE 18 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1v4r h PHE 18 Cb 0.97 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1v4r h PHE 18 CO 0.00 0.45 -0.03 0.00 -2.23 0.00 0.00 178.31 176.50 1v4r h ARG 19 N 0.00 0.00 0.14 1.11 2.47 -1.47 -2.13 114.38 114.50 1v4r h ARG 19 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 1v4r h ARG 19 Cb 0.83 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.17 1v4r h ARG 19 CO 0.06 0.03 -0.89 1.15 0.56 0.00 0.00 179.97 180.88 1v4r h THR 20 N 0.00 1.47 -0.95 2.04 2.02 -1.43 -3.28 112.91 112.77 1v4r h THR 20 Ca -0.00 -2.54 0.14 0.00 0.77 0.00 0.00 66.41 64.78 1v4r h THR 20 Cb 0.11 3.16 -0.09 0.00 -1.74 0.00 0.00 68.15 69.59 1v4r h THR 20 CO 0.00 0.72 0.57 -0.07 0.37 0.00 0.00 175.52 177.12 1v4r h LEU 21 N -0.35 0.80 -0.46 2.58 -0.00 -1.17 0.09 115.31 116.80 1v4r h LEU 21 Ca -0.16 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1v4r h LEU 21 Cb 1.68 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 1v4r h LEU 21 CO 0.15 0.39 0.00 -0.38 -0.00 0.00 0.00 178.44 178.60 1v4r n ILE 22 N -4.71 0.75 0.00 1.22 2.08 -0.91 -2.16 119.36 115.63 1v4r n ILE 22 Ca 0.19 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.59 1v4r n ILE 22 Cb 0.41 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.31 1v4r n ILE 22 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1v4r n LYS 23 N -2.19 0.00 -0.00 0.38 4.81 0.02 -4.16 118.16 117.02 1v4r n LYS 23 Ca 0.03 0.20 -0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1v4r n LYS 23 Cb 0.28 -0.81 -0.00 0.00 0.02 0.00 0.00 35.03 34.52 1v4r n LYS 23 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1v4r n SER 24 N -1.11 4.68 0.00 3.14 2.88 -1.21 -4.74 113.62 117.26 1v4r n SER 24 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1v4r n SER 24 Cb 0.00 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v4r n GLY 25 N 3.06 0.00 0.00 0.46 0.00 -0.92 -4.23 105.19 103.56 1v4r n GLY 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1v4r n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1v4r n GLU 26 N 0.00 0.00 -2.75 1.61 0.28 -1.25 -4.99 120.64 113.54 1v4r n GLU 26 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1v4r n GLU 26 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1v4r n GLU 26 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1v4r n LEU 27 N 0.00 5.56 -4.63 -1.84 7.94 -1.20 -4.99 117.00 117.84 1v4r n LEU 27 Ca 0.00 -5.51 -0.29 0.00 -1.11 0.00 0.00 56.01 49.10 1v4r n LEU 27 Cb 0.00 -0.76 0.19 0.00 0.53 0.00 0.00 43.42 43.37 1v4r n LEU 27 CO 0.00 2.22 0.62 0.00 -1.11 0.00 0.00 177.39 179.12 1v4r s ALA 28 N -3.78 0.78 -0.12 1.96 0.00 -1.26 -3.61 121.76 115.73 1v4r s ALA 28 Ca 0.46 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1v4r s ALA 28 Cb 0.27 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1v4r s ALA 28 CO -0.16 -2.98 1.31 -2.14 0.00 0.00 0.00 175.76 171.79 1v4r s PRO 29 N -4.74 4.25 0.00 0.00 0.02 -1.26 -2.08 135.00 131.19 1v4r s PRO 29 Ca 0.66 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1v4r s PRO 29 Cb -0.21 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.57 1v4r s PRO 29 CO 0.60 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 1v4r n GLY 30 N 3.63 1.28 3.75 0.52 0.00 0.95 -4.91 105.19 110.42 1v4r n GLY 30 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1v4r n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v4r s ASP 31 N -1.33 5.13 0.14 1.61 2.15 -0.88 -4.82 116.67 118.66 1v4r s ASP 31 Ca 0.00 -0.38 -0.07 0.00 0.43 0.00 0.00 52.55 52.53 1v4r s ASP 31 Cb 0.00 -1.19 -0.06 0.00 -0.30 0.00 0.00 42.92 41.37 1v4r s ASP 31 CO 0.00 0.00 0.41 -0.89 -0.17 0.00 0.00 175.17 174.52 1v4r s THR 32 N -2.09 5.11 0.26 1.71 2.01 -1.26 0.79 115.64 122.16 1v4r s THR 32 Ca 0.31 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.24 1v4r s THR 32 Cb -0.08 -3.63 -0.13 0.00 0.01 0.00 0.00 72.50 68.67 1v4r s THR 32 CO 0.22 0.10 1.38 0.18 -0.69 0.00 0.00 174.62 175.81 1v4r n LEU 33 N 0.30 3.14 -4.87 4.42 4.32 0.10 -4.86 117.00 119.56 1v4r n LEU 33 Ca -0.04 1.15 -0.29 0.00 -0.02 0.00 0.00 56.01 56.82 1v4r n LEU 33 Cb 0.52 -1.43 0.12 0.00 -1.62 0.00 0.00 43.42 41.01 1v4r n LEU 33 CO 0.46 -0.51 0.78 -2.16 -1.22 0.00 0.00 177.39 174.74 1v4r s PRO 34 N -0.67 1.48 0.67 3.23 0.04 -1.26 -4.96 135.00 133.52 1v4r s PRO 34 Ca 0.66 0.08 -0.13 0.00 0.04 0.00 0.00 61.00 61.65 1v4r s PRO 34 Cb -0.64 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1v4r s PRO 34 CO 0.52 -1.93 1.08 0.45 0.04 0.00 0.00 177.00 177.16 1v4r s SER 35 N -4.46 5.26 0.65 6.66 0.15 -1.26 -4.90 113.70 115.80 1v4r s SER 35 Ca 0.64 1.83 0.32 0.00 0.70 0.00 0.00 55.95 59.44 1v4r s SER 35 Cb -0.11 -2.53 1.77 0.00 -1.71 0.00 0.00 66.02 63.44 1v4r s SER 35 CO 0.51 -1.52 2.03 -0.37 1.20 0.00 0.00 173.24 175.09 1v4r h VAL 36 N -0.23 0.12 -0.72 4.45 -1.51 -1.97 -1.16 116.25 115.24 1v4r h VAL 36 Ca -0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1v4r h VAL 36 Cb 1.23 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 1v4r h VAL 36 CO 0.55 0.00 0.30 0.00 -1.23 0.00 0.00 177.57 177.19 1v4r h ALA 37 N 1.54 0.93 0.09 5.19 0.00 -1.95 0.21 119.26 125.27 1v4r h ALA 37 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1v4r h ALA 37 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1v4r h ALA 37 CO -0.00 0.55 -0.04 -0.44 0.00 0.00 0.00 179.25 179.31 1v4r h ASP 38 N 1.03 -0.11 -0.14 0.00 3.32 -1.57 -2.92 116.42 116.04 1v4r h ASP 38 Ca 0.24 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1v4r h ASP 38 Cb 0.20 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1v4r h ASP 38 CO -0.02 0.08 -0.05 0.40 -1.72 0.00 0.00 179.24 177.94 1v4r h ILE 39 N -0.29 0.83 -1.34 0.35 5.03 -1.60 -2.65 117.51 117.84 1v4r h ILE 39 Ca -0.01 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.13 1v4r h ILE 39 Cb 0.25 0.83 -0.09 0.00 -3.03 0.00 0.00 36.82 34.78 1v4r h ILE 39 CO 0.02 0.00 0.91 -0.09 -0.68 0.00 0.00 178.15 178.31 1v4r h ARG 40 N -0.02 0.11 0.03 2.37 2.43 -0.39 1.36 114.38 120.27 1v4r h ARG 40 Ca 0.07 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.89 1v4r h ARG 40 Cb 0.12 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1v4r h ARG 40 CO -0.15 0.07 -2.02 0.00 -1.51 0.00 0.00 179.97 176.36 1v4r n ALA 41 N -2.64 1.33 -0.01 2.80 0.00 -1.12 -3.66 120.51 117.20 1v4r n ALA 41 Ca 0.33 -0.88 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 1v4r n ALA 41 Cb 1.37 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 1v4r n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1v4r h GLN 42 N 0.02 0.37 -5.53 0.00 4.20 -0.34 -3.40 115.11 110.44 1v4r h GLN 42 Ca -0.41 -0.37 -0.61 0.00 0.06 0.00 0.00 58.65 57.32 1v4r h GLN 42 Cb 2.05 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 29.82 1v4r h GLN 42 CO 0.05 1.04 0.18 -0.59 -0.67 0.00 0.00 178.83 178.84 1v4r s PHE 43 N -3.32 3.28 -0.40 2.96 -0.71 0.44 -4.92 117.98 115.30 1v4r s PHE 43 Ca -0.14 0.81 -0.05 0.00 -1.04 0.00 0.00 56.93 56.51 1v4r s PHE 43 Cb 0.03 -2.87 -0.14 0.00 -1.21 0.00 0.00 43.02 38.84 1v4r s PHE 43 CO 0.80 -0.35 2.51 0.41 -1.34 0.00 0.00 175.22 177.26 1v4r n GLY 44 N 4.17 2.73 3.28 1.99 0.00 -1.26 -4.40 105.19 111.70 1v4r n GLY 44 Ca -0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1v4r n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v4r s VAL 45 N 2.17 0.35 0.49 1.61 1.01 -1.08 -2.66 120.40 122.29 1v4r s VAL 45 Ca 0.46 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 1v4r s VAL 45 Cb 0.18 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1v4r s VAL 45 CO -0.01 0.00 0.99 0.00 0.00 0.00 0.00 175.10 176.08 1v4r s ALA 46 N -3.86 2.99 -1.47 5.51 0.00 -1.26 -4.55 121.76 119.11 1v4r s ALA 46 Ca 0.38 0.35 0.21 0.00 0.00 0.00 0.00 51.96 52.91 1v4r s ALA 46 Cb 0.07 -3.17 1.10 0.00 0.00 0.00 0.00 23.12 21.12 1v4r s ALA 46 CO 0.14 -0.19 1.69 0.00 0.00 0.00 0.00 175.76 177.40 1v4r n ALA 47 N -1.20 2.13 0.03 0.00 0.00 -1.26 0.46 120.51 120.67 1v4r n ALA 47 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1v4r n ALA 47 Cb 0.54 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1v4r n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1v4r n LYS 48 N -1.26 0.63 0.19 0.00 0.00 -1.26 -4.41 118.16 112.05 1v4r n LYS 48 Ca 0.11 0.12 0.05 0.00 0.00 0.00 0.00 58.31 58.58 1v4r n LYS 48 Cb 0.16 -1.74 0.38 0.00 0.00 0.00 0.00 35.03 33.83 1v4r n LYS 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1v4r h THR 49 N 0.00 1.06 -0.12 3.15 2.02 -0.35 -2.16 112.91 116.51 1v4r h THR 49 Ca -0.15 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 1v4r h THR 49 Cb 1.45 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1v4r h THR 49 CO 0.03 0.36 0.06 1.62 0.37 0.00 0.00 175.52 177.96 1v4r h VAL 50 N 0.00 1.09 0.00 3.16 3.04 -1.76 -1.12 116.25 120.65 1v4r h VAL 50 Ca -0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1v4r h VAL 50 Cb 0.75 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1v4r h VAL 50 CO 0.05 0.08 0.00 -0.24 -1.01 0.00 0.00 177.57 176.45 1v4r n SER 51 N -4.96 0.55 -0.06 3.17 2.88 -0.85 -1.17 113.62 113.18 1v4r n SER 51 Ca -0.05 0.71 -0.03 0.00 -1.33 0.00 0.00 58.87 58.17 1v4r n SER 51 Cb 0.07 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 1v4r n SER 51 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1v4r h ARG 52 N 0.00 0.00 0.00 -1.46 2.47 -0.80 -3.35 114.38 111.24 1v4r h ARG 52 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1v4r h ARG 52 Cb 0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1v4r h ARG 52 CO 0.00 0.18 -0.10 0.00 0.56 0.00 0.00 179.97 180.61 1v4r h ALA 53 N -0.83 1.37 -1.01 0.04 0.00 -1.08 -2.78 119.26 114.97 1v4r h ALA 53 Ca -0.01 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.05 1v4r h ALA 53 Cb 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 1v4r h ALA 53 CO -0.00 0.13 0.62 -0.07 0.00 0.00 0.00 179.25 179.92 1v4r h LEU 54 N 0.00 0.62 -1.51 0.00 3.38 -1.28 0.55 115.31 117.08 1v4r h LEU 54 Ca -0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1v4r h LEU 54 Cb 0.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1v4r h LEU 54 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1v4r h ALA 55 N 1.69 1.00 0.00 1.53 0.00 -1.67 -1.23 119.26 120.58 1v4r h ALA 55 Ca 0.62 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.27 1v4r h ALA 55 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1v4r h ALA 55 CO -0.41 0.00 -1.69 0.28 0.00 0.00 0.00 179.25 177.43 1v4r n VAL 56 N -2.92 1.47 1.14 0.00 0.31 0.16 -4.19 118.33 114.30 1v4r n VAL 56 Ca 0.00 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.66 1v4r n VAL 56 Cb 0.26 -0.91 0.56 0.00 -0.91 0.00 0.00 33.84 32.84 1v4r n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v4r n LEU 57 N -2.97 0.00 -0.15 7.52 4.32 0.71 -0.73 117.00 125.69 1v4r n LEU 57 Ca -0.16 0.10 -0.10 0.00 -0.02 0.00 0.00 56.01 55.82 1v4r n LEU 57 Cb 1.00 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 42.70 1v4r n LEU 57 CO 0.44 -0.04 0.77 0.07 -1.22 0.00 0.00 177.39 177.41 1v4r h LYS 58 N 0.00 0.82 0.04 3.23 2.10 -1.65 0.71 116.57 121.82 1v4r h LYS 58 Ca 0.00 -0.28 -0.36 0.00 -2.00 0.00 0.00 60.65 58.01 1v4r h LYS 58 Cb 0.06 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 1v4r h LYS 58 CO 0.00 0.90 -2.15 0.43 -2.00 0.00 0.00 179.45 176.63 1v4r n SER 59 N -4.34 1.45 -0.02 7.07 7.64 -0.72 -3.73 113.62 120.96 1v4r n SER 59 Ca -0.00 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 1v4r n SER 59 Cb 0.33 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1v4r n SER 59 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1v4r h GLU 60 N 0.02 0.00 -0.02 1.43 4.57 -1.00 -3.34 114.58 116.24 1v4r h GLU 60 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1v4r h GLU 60 Cb 2.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 1v4r h GLU 60 CO 0.03 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.27 1v4r n GLY 61 N 1.83 -0.64 2.19 1.92 0.00 -0.63 -4.74 105.19 105.12 1v4r n GLY 61 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1v4r n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v4r n LEU 62 N -0.56 -2.16 -4.57 0.99 4.77 0.20 -4.92 117.00 110.75 1v4r n LEU 62 Ca 0.20 -0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1v4r n LEU 62 Cb 0.18 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 39.82 1v4r n LEU 62 CO 0.16 0.14 -0.42 0.54 -1.33 0.00 0.00 177.39 176.48 1v4r s VAL 63 N -2.90 3.33 -0.06 4.08 0.11 0.14 -0.36 120.40 124.74 1v4r s VAL 63 Ca 0.15 -1.30 -0.12 0.00 -2.93 0.00 0.00 61.98 57.78 1v4r s VAL 63 Cb -0.06 -2.56 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1v4r s VAL 63 CO 0.18 0.10 0.28 -0.55 -3.33 0.00 0.00 175.10 171.78 1v4r s SER 64 N -2.24 -0.22 -0.41 3.54 0.15 -1.05 -3.93 113.70 109.54 1v4r s SER 64 Ca 0.21 0.29 -0.28 0.00 0.70 0.00 0.00 55.95 56.87 1v4r s SER 64 Cb -0.11 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1v4r s SER 64 CO 0.14 -0.28 1.85 -0.44 1.20 0.00 0.00 173.24 175.71 1v4r s SER 65 N -0.64 5.65 -0.45 5.45 0.01 -1.26 -3.12 113.70 119.34 1v4r s SER 65 Ca -0.07 1.05 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 1v4r s SER 65 Cb -0.04 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.79 1v4r s SER 65 CO 0.02 -1.95 0.24 -0.60 0.41 0.00 0.00 173.24 171.36 1v4r s ARG 66 N 6.16 2.05 -0.06 12.44 3.52 -0.95 -4.99 118.95 137.12 1v4r s ARG 66 Ca 0.78 -2.03 -0.05 0.00 -0.13 0.00 0.00 55.73 54.30 1v4r s ARG 66 Cb -0.20 -3.55 -0.19 0.00 -1.56 0.00 0.00 34.95 29.45 1v4r s ARG 66 CO 0.30 -1.08 2.78 0.41 -0.81 0.00 0.00 175.30 176.90 1v4r n GLY 67 N 4.22 2.52 2.02 8.12 0.00 -1.26 -0.58 105.19 120.23 1v4r n GLY 67 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1v4r n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r n ALA 68 N 2.70 2.67 0.60 4.61 0.00 -1.26 -4.88 120.51 124.95 1v4r n ALA 68 Ca 0.33 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1v4r n ALA 68 Cb 0.65 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.21 1v4r n ALA 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1v4r n LEU 69 N -3.11 0.64 0.00 0.00 4.77 -1.21 -5.08 117.00 113.02 1v4r n LEU 69 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1v4r n LEU 69 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1v4r n LEU 69 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1v4r n GLY 70 N 1.36 -0.19 3.58 -0.72 0.00 0.25 -4.82 105.19 104.64 1v4r n GLY 70 Ca 0.03 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1v4r n GLY 70 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1v4r s THR 71 N 0.00 4.02 0.03 2.61 -1.32 -1.26 -2.25 115.64 117.47 1v4r s THR 71 Ca 0.00 -1.61 -0.14 0.00 -1.21 0.00 0.00 61.69 58.73 1v4r s THR 71 Cb 0.00 -5.09 -0.06 0.00 -1.51 0.00 0.00 72.50 65.84 1v4r s THR 71 CO 0.00 -1.89 0.43 -0.69 -2.21 0.00 0.00 174.62 170.26 1v4r s VAL 72 N 5.14 5.01 -1.26 5.08 1.01 -1.18 0.00 120.40 134.20 1v4r s VAL 72 Ca 0.54 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1v4r s VAL 72 Cb 0.03 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.84 1v4r s VAL 72 CO 0.05 0.51 1.68 0.52 0.00 0.00 0.00 175.10 177.86 1v4r n VAL 73 N 1.60 4.22 -3.19 2.92 0.31 0.24 -2.53 118.33 121.90 1v4r n VAL 73 Ca -0.12 -4.45 -0.19 0.00 -0.01 0.00 0.00 64.34 59.56 1v4r n VAL 73 Cb 0.52 -2.42 -0.06 0.00 -0.91 0.00 0.00 33.84 30.96 1v4r n VAL 73 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1v4r s GLU 74 N 1.42 0.95 0.00 5.55 -1.05 -0.66 -0.03 118.70 124.88 1v4r s GLU 74 Ca 0.43 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 1v4r s GLU 74 Cb 0.03 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.76 1v4r s GLU 74 CO 0.00 -1.37 0.00 1.17 0.95 0.00 0.00 175.26 176.02 1v4r n LYS 75 N 2.91 0.00 -3.74 -4.83 4.81 0.52 -4.68 118.16 113.15 1v4r n LYS 75 Ca 0.26 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.40 1v4r n LYS 75 Cb 0.50 -0.01 -0.14 0.00 0.02 0.00 0.00 35.03 35.40 1v4r n LYS 75 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1v4r s ASN 76 N -1.00 3.89 -0.25 3.14 3.84 -1.25 -5.00 114.94 118.31 1v4r s ASN 76 Ca 0.00 -2.14 -0.41 0.00 0.21 0.00 0.00 52.86 50.52 1v4r s ASN 76 Cb 0.00 -0.99 -0.17 0.00 -0.55 0.00 0.00 41.25 39.54 1v4r s ASN 76 CO 0.00 -0.34 1.58 -2.65 -2.79 0.00 0.00 177.10 172.90 1v4r n PRO 77 N 4.19 0.78 -1.70 0.43 -0.02 -1.26 -4.63 135.00 132.78 1v4r n PRO 77 Ca 0.04 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 1v4r n PRO 77 Cb 0.38 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1v4r n PRO 77 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1v4r n ILE 78 N 3.83 1.23 -1.38 4.25 -6.64 -1.25 -4.71 119.36 114.68 1v4r n ILE 78 Ca 0.26 -0.31 -0.12 0.00 -1.77 0.00 0.00 62.75 60.80 1v4r n ILE 78 Cb 0.09 -1.63 -0.09 0.00 -1.44 0.00 0.00 39.64 36.57 1v4r n ILE 78 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1v4r n VAL 79 N 1.58 0.00 -3.84 7.28 0.31 -1.26 -4.83 118.33 117.57 1v4r n VAL 79 Ca 0.09 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 1v4r n VAL 79 Cb 0.34 -1.53 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 1v4r n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1v4r s ILE 80 N 12.92 3.20 0.00 2.52 -1.09 -1.26 -4.87 121.20 132.62 1v4r s ILE 80 Ca 0.62 -1.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1v4r s ILE 80 Cb -0.03 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1v4r s ILE 80 CO 0.15 -0.30 0.46 1.07 -1.23 0.00 0.00 174.94 175.09 1v4r n THR 81 N 4.64 0.00 -3.85 2.92 5.66 -1.26 -5.06 114.28 117.33 1v4r n THR 81 Ca -0.09 -0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 60.34 1v4r n THR 81 Cb 0.43 1.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.20 1v4r n THR 81 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1v4r s GLY 82 N -0.08 -0.03 0.00 1.09 0.00 -1.26 -5.02 107.32 102.02 1v4r s GLY 82 Ca 0.00 -0.36 0.32 0.00 0.00 0.00 0.00 44.72 44.68 1v4r s GLY 82 CO 0.00 -0.11 2.21 0.00 0.00 0.00 0.00 173.10 175.20 1v4r n ALA 83 N -0.47 2.67 0.08 3.20 0.00 -1.26 -3.45 120.51 121.28 1v4r n ALA 83 Ca -0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1v4r n ALA 83 Cb 0.59 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1v4r n ALA 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1v4r h ASP 84 N 0.01 0.46 0.47 0.00 3.58 -1.95 -1.00 116.42 117.99 1v4r h ASP 84 Ca 0.00 -0.40 -0.16 0.00 0.42 0.00 0.00 57.03 56.88 1v4r h ASP 84 Cb 0.03 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1v4r h ASP 84 CO 0.00 1.23 -0.70 0.03 -2.88 0.00 0.00 179.24 176.91 1v4r h ARG 85 N 0.17 0.20 0.00 0.28 2.47 -1.90 -2.07 114.38 113.54 1v4r h ARG 85 Ca -0.09 -0.17 -0.39 0.00 -1.26 0.00 0.00 59.98 58.08 1v4r h ARG 85 Cb 1.67 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.95 1v4r h ARG 85 CO 0.17 0.83 -2.46 -0.11 0.56 0.00 0.00 179.97 178.96 1v4r n LEU 86 N -3.79 2.91 -0.05 3.04 7.94 -1.24 -4.62 117.00 121.19 1v4r n LEU 86 Ca -0.03 -0.10 -0.10 0.00 -1.11 0.00 0.00 56.01 54.67 1v4r n LEU 86 Cb 0.69 -0.89 -0.15 0.00 0.53 0.00 0.00 43.42 43.60 1v4r n LEU 86 CO 0.45 0.91 -0.79 1.17 -1.11 0.00 0.00 177.39 178.02 1v4r n LYS 87 N -3.32 0.66 -1.88 1.96 3.00 -0.39 -5.08 118.16 113.12 1v4r n LYS 87 Ca -0.46 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1v4r n LYS 87 Cb 0.97 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 34.32 1v4r n LYS 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1v4r n ARG 88 N -2.95 -3.61 0.00 1.64 0.63 -0.78 -4.69 116.66 106.90 1v4r n ARG 88 Ca -0.24 2.77 0.10 0.00 -0.92 0.00 0.00 57.85 59.56 1v4r n ARG 88 Cb 1.09 -3.35 0.57 0.00 0.45 0.00 0.00 32.46 31.23 1v4r n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1v4r n MET 89 N 1.26 0.57 0.05 -0.14 0.00 -1.26 -2.36 117.12 115.24 1v4r n MET 89 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 57.70 57.52 1v4r n MET 89 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.62 1v4r n MET 89 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1v4r h GLU 90 N 0.00 0.68 -6.34 3.17 5.08 -1.95 -3.47 114.58 111.75 1v4r h GLU 90 Ca 0.00 -0.74 -0.44 0.00 -1.00 0.00 0.00 59.36 57.18 1v4r h GLU 90 Cb 0.02 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1v4r h GLU 90 CO 0.00 1.31 -0.32 -1.59 -1.00 0.00 0.00 179.01 177.41 1v4r s LYS 91 N -3.30 2.96 0.30 2.33 -2.85 -0.99 -5.06 119.74 113.11 1v4r s LYS 91 Ca -0.09 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.44 1v4r s LYS 91 Cb 0.07 -2.75 -0.10 0.00 -2.06 0.00 0.00 37.83 32.99 1v4r s LYS 91 CO 0.92 -0.06 1.29 -0.80 0.10 0.00 0.00 175.35 176.80 1v4r s ASN 92 N -4.22 6.84 -1.28 0.03 -0.87 -1.26 -4.93 114.94 109.25 1v4r s ASN 92 Ca 0.48 2.59 -0.08 0.00 -1.57 0.00 0.00 52.86 54.28 1v4r s ASN 92 Cb -0.09 -2.64 0.16 0.00 -0.02 0.00 0.00 41.25 38.66 1v4r s ASN 92 CO 0.31 -0.50 1.98 0.61 -2.57 0.00 0.00 177.10 176.93 1v4r n GLY 93 N 1.24 4.89 3.94 0.66 0.00 -1.26 -4.98 105.19 109.68 1v4r n GLY 93 Ca 0.02 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 1v4r n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v4r s MET 94 N -0.08 2.07 0.20 1.61 -1.94 -1.26 -4.99 119.30 114.90 1v4r s MET 94 Ca 0.42 -0.40 -0.32 0.00 -1.71 0.00 0.00 55.69 53.68 1v4r s MET 94 Cb 0.11 -2.19 -0.12 0.00 2.01 0.00 0.00 34.83 34.64 1v4r s MET 94 CO -0.01 -1.29 1.70 0.54 -0.01 0.00 0.00 175.02 175.94 1v4r n ARG 95 N -2.92 2.67 -4.14 2.03 1.74 -1.26 -5.02 116.66 109.76 1v4r n ARG 95 Ca 0.09 0.96 -0.24 0.00 -0.77 0.00 0.00 57.85 57.90 1v4r n ARG 95 Cb 0.60 -2.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.18 1v4r n ARG 95 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1v4r s TYR 96 N 1.14 2.65 -0.35 -1.55 1.13 -1.26 -5.05 117.35 114.05 1v4r s TYR 96 Ca 0.76 -0.45 -0.27 0.00 -1.41 0.00 0.00 57.07 55.70 1v4r s TYR 96 Cb -0.54 -1.70 -0.04 0.00 -1.10 0.00 0.00 41.96 38.57 1v4r s TYR 96 CO 0.33 0.32 2.14 0.00 -2.51 0.00 0.00 175.55 175.83 1v4r s ALA 97 N -2.49 2.42 -1.93 9.51 0.00 -1.26 -4.82 121.76 123.18 1v4r s ALA 97 Ca 0.38 0.33 0.26 0.00 0.00 0.00 0.00 51.96 52.93 1v4r s ALA 97 Cb -0.00 -4.15 0.71 0.00 0.00 0.00 0.00 23.12 19.67 1v4r s ALA 97 CO 0.22 -3.30 1.54 -0.35 0.00 0.00 0.00 175.76 173.87 1v4r n PRO 98 N 8.80 1.05 -2.69 0.00 -0.04 -1.26 -4.32 135.00 136.53 1v4r n PRO 98 Ca 0.29 -0.66 -0.03 0.00 -0.04 0.00 0.00 63.50 63.06 1v4r n PRO 98 Cb 0.49 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 1v4r n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v4r n GLY 99 N 1.32 1.82 0.16 0.55 0.00 -1.26 -4.90 105.19 102.88 1v4r n GLY 99 Ca 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11