#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 4.15 0.02 0.03 0.04 -1.26 -5.01 135.00 132.97 1v4r s PRO 2 Ca 0.00 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1v4r s PRO 2 Cb 0.00 -3.68 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 1v4r s PRO 2 CO 0.00 -0.70 1.28 -0.47 0.04 0.00 0.00 177.00 177.15 1v4r s TYR 3 N 3.24 3.19 -0.29 0.56 5.04 -1.26 -4.99 117.35 122.84 1v4r s TYR 3 Ca 0.41 1.10 -0.24 0.00 -2.44 0.00 0.00 57.07 55.90 1v4r s TYR 3 Cb -0.14 -3.52 -0.00 0.00 0.35 0.00 0.00 41.96 38.65 1v4r s TYR 3 CO 0.10 -1.76 0.81 0.15 -1.34 0.00 0.00 175.55 173.52 1v4r s LYS 4 N 1.70 4.03 0.62 4.97 1.02 -1.26 -5.05 119.74 125.78 1v4r s LYS 4 Ca 0.60 0.71 -0.05 0.00 0.02 0.00 0.00 55.97 57.25 1v4r s LYS 4 Cb -0.30 -3.71 0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1v4r s LYS 4 CO 0.27 -0.65 0.92 0.00 -0.92 0.00 0.00 175.35 174.97 1v4r s ALA 5 N 2.97 3.34 -0.92 5.17 0.00 -1.26 -3.98 121.76 127.07 1v4r s ALA 5 Ca 0.34 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1v4r s ALA 5 Cb -0.14 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1v4r s ALA 5 CO 0.11 -0.97 1.59 -2.14 0.00 0.00 0.00 175.76 174.35 1v4r s PRO 6 N -5.04 3.18 -0.96 0.00 0.02 -1.24 -4.50 135.00 126.47 1v4r s PRO 6 Ca 0.56 -0.65 -0.22 0.00 0.02 0.00 0.00 61.00 60.72 1v4r s PRO 6 Cb -0.11 -5.05 -0.12 0.00 0.02 0.00 0.00 34.50 29.25 1v4r s PRO 6 CO 0.44 -2.56 1.94 -0.85 -0.33 0.00 0.00 177.00 175.64 1v4r n GLU 7 N 8.97 1.70 -1.24 5.54 0.28 -1.26 -3.96 120.64 130.66 1v4r n GLU 7 Ca 0.30 -2.14 -0.08 0.00 -0.16 0.00 0.00 57.16 55.08 1v4r n GLU 7 Cb 0.50 -3.20 -0.04 0.00 1.43 0.00 0.00 31.44 30.13 1v4r n GLU 7 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1v4r n GLY 8 N 4.90 0.96 3.28 -1.84 0.00 -1.26 -4.98 105.19 106.25 1v4r n GLY 8 Ca 0.48 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.44 1.29 0.00 1.61 -2.85 -1.25 -5.14 119.74 110.95 1v4r s LYS 9 Ca 0.00 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1v4r s LYS 9 Cb 0.00 -1.50 0.00 0.00 -2.06 0.00 0.00 37.83 34.27 1v4r s LYS 9 CO 0.00 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.23 1v4r n GLY 10 N 1.42 3.34 0.00 0.59 0.00 -1.26 -4.77 105.19 104.50 1v4r n GLY 10 Ca -0.18 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.41 1.61 4.11 -1.26 -2.40 117.16 119.63 1v4r n TYR 11 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.03 1v4r n TYR 11 Cb 0.00 -0.48 0.33 0.00 -0.00 0.00 0.00 39.34 39.20 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 2.44 1.00 0.04 -3.48 0.00 -1.92 -1.74 119.26 115.60 1v4r h ALA 12 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v4r h ALA 12 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1v4r h ALA 12 CO 0.00 0.00 -0.02 0.22 0.00 0.00 0.00 179.25 179.45 1v4r h ASP 13 N 0.00 -0.05 0.11 0.00 1.82 -1.84 -2.85 116.42 113.61 1v4r h ASP 13 Ca 0.00 -0.60 -0.11 0.00 -0.39 0.00 0.00 57.03 55.92 1v4r h ASP 13 Cb 0.80 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1v4r h ASP 13 CO 0.00 0.63 -0.39 -0.37 -1.61 0.00 0.00 179.24 177.50 1v4r h VAL 14 N -0.78 1.30 -0.18 2.25 -1.51 -1.73 0.36 116.25 115.97 1v4r h VAL 14 Ca -0.01 -1.50 0.05 0.00 -1.23 0.00 0.00 66.70 64.02 1v4r h VAL 14 Cb 0.65 1.60 -0.05 0.00 -2.13 0.00 0.00 31.29 31.36 1v4r h VAL 14 CO 0.01 0.46 -0.15 0.00 -1.23 0.00 0.00 177.57 176.66 1v4r h ALA 15 N 1.29 -0.03 -0.08 5.19 0.00 -1.39 0.35 119.26 124.58 1v4r h ALA 15 Ca 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1v4r h ALA 15 Cb 0.82 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1v4r h ALA 15 CO 0.07 -0.59 -0.81 1.15 0.00 0.00 0.00 179.25 179.06 1v4r h THR 16 N -0.17 1.34 -0.32 0.00 2.02 -1.24 -3.03 112.91 111.52 1v4r h THR 16 Ca 0.11 -2.16 -0.12 0.00 0.77 0.00 0.00 66.41 65.01 1v4r h THR 16 Cb 0.33 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1v4r h THR 16 CO -0.28 0.66 -0.28 0.45 0.37 0.00 0.00 175.52 176.45 1v4r h HIS 17 N 0.36 0.74 -0.39 3.16 -0.00 0.03 -2.81 115.15 116.24 1v4r h HIS 17 Ca -0.06 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.09 1v4r h HIS 17 Cb 1.42 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1v4r h HIS 17 CO 0.06 0.86 0.07 0.74 -0.00 0.00 0.00 177.93 179.67 1v4r h PHE 18 N 0.56 0.69 -0.44 2.45 0.04 -0.37 0.19 116.94 120.06 1v4r h PHE 18 Ca 0.07 -0.09 0.13 0.00 2.80 0.00 0.00 57.97 60.88 1v4r h PHE 18 Cb 0.77 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1v4r h PHE 18 CO 0.03 0.68 0.44 0.00 -0.60 0.00 0.00 178.31 178.86 1v4r h ARG 19 N 0.50 0.00 0.00 1.51 3.08 -1.37 0.13 114.38 118.23 1v4r h ARG 19 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1v4r h ARG 19 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1v4r h ARG 19 CO 0.01 0.00 -0.77 1.15 -1.07 0.00 0.00 179.97 179.28 1v4r h THR 20 N 0.00 0.54 -0.49 2.04 2.02 -1.18 -3.39 112.91 112.45 1v4r h THR 20 Ca 0.21 -1.63 0.14 0.00 0.77 0.00 0.00 66.41 65.91 1v4r h THR 20 Cb 1.09 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1v4r h THR 20 CO -0.00 0.18 0.48 0.25 0.37 0.00 0.00 175.52 176.80 1v4r h LEU 21 N -1.00 0.00 -0.09 2.58 5.85 0.29 0.68 115.31 123.63 1v4r h LEU 21 Ca -0.16 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1v4r h LEU 21 Cb 0.86 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1v4r h LEU 21 CO -0.10 0.00 -0.46 0.40 -0.34 0.00 0.00 178.44 177.95 1v4r h ILE 22 N 0.00 0.10 0.00 4.05 5.03 -0.97 -0.60 117.51 125.12 1v4r h ILE 22 Ca 0.23 0.00 -0.31 0.00 -0.12 0.00 0.00 64.86 64.66 1v4r h ILE 22 Cb 1.19 0.10 -0.06 0.00 -3.03 0.00 0.00 36.82 35.03 1v4r h ILE 22 CO -0.00 0.00 -1.98 2.29 -0.68 0.00 0.00 178.15 177.78 1v4r n LYS 23 N -5.44 0.66 -1.11 2.37 2.85 -0.62 -3.71 118.16 113.15 1v4r n LYS 23 Ca -0.05 0.16 -0.17 0.00 -1.05 0.00 0.00 58.31 57.20 1v4r n LYS 23 Cb 0.37 -1.68 0.21 0.00 -0.65 0.00 0.00 35.03 33.29 1v4r n LYS 23 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1v4r n SER 24 N -2.90 3.75 -0.40 -5.58 7.64 0.23 -4.26 113.62 112.10 1v4r n SER 24 Ca -0.23 -3.55 -0.00 0.00 1.01 0.00 0.00 58.87 56.09 1v4r n SER 24 Cb 1.07 -0.78 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v4r n GLY 25 N -0.94 0.72 2.74 0.23 0.00 -0.24 -4.56 105.19 103.15 1v4r n GLY 25 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.53 1v4r n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v4r n GLU 26 N 0.00 -1.49 -1.56 1.61 1.02 -1.21 -4.83 120.64 114.18 1v4r n GLU 26 Ca -0.01 0.40 -0.38 0.00 -0.02 0.00 0.00 57.16 57.15 1v4r n GLU 26 Cb 0.38 -4.53 -0.03 0.00 -0.02 0.00 0.00 31.44 27.24 1v4r n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1v4r n LEU 27 N -0.06 8.26 -4.68 -4.62 4.77 -1.22 -4.97 117.00 114.48 1v4r n LEU 27 Ca -0.01 -4.49 -0.31 0.00 -0.03 0.00 0.00 56.01 51.17 1v4r n LEU 27 Cb 0.38 -1.47 0.16 0.00 -2.33 0.00 0.00 43.42 40.16 1v4r n LEU 27 CO 0.01 2.04 0.68 0.00 -1.33 0.00 0.00 177.39 178.79 1v4r s ALA 28 N 0.73 1.50 0.20 -1.18 0.00 -1.24 -4.62 121.76 117.15 1v4r s ALA 28 Ca 0.64 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1v4r s ALA 28 Cb 0.20 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1v4r s ALA 28 CO -0.08 -2.67 1.11 -2.14 0.00 0.00 0.00 175.76 171.98 1v4r s PRO 29 N -4.68 4.60 0.00 0.00 0.02 -1.26 -3.33 135.00 130.35 1v4r s PRO 29 Ca 0.66 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1v4r s PRO 29 Cb -0.22 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1v4r s PRO 29 CO 0.58 0.10 0.00 0.41 -0.33 0.00 0.00 177.00 177.76 1v4r n GLY 30 N 1.86 2.12 3.95 0.52 0.00 0.17 -4.95 105.19 108.86 1v4r n GLY 30 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.92 6.30 0.74 1.61 2.15 -1.21 -4.87 116.67 119.47 1v4r s ASP 31 Ca 0.00 0.37 -0.12 0.00 0.43 0.00 0.00 52.55 53.24 1v4r s ASP 31 Cb 0.00 -2.00 0.03 0.00 -0.30 0.00 0.00 42.92 40.66 1v4r s ASP 31 CO 0.00 -0.24 1.10 0.42 -0.17 0.00 0.00 175.17 176.28 1v4r s THR 32 N -2.24 3.25 0.39 1.71 -4.23 -1.26 0.57 115.64 113.83 1v4r s THR 32 Ca 0.39 0.41 -0.27 0.00 -1.18 0.00 0.00 61.69 61.03 1v4r s THR 32 Cb -0.09 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 1v4r s THR 32 CO 0.34 -0.53 1.34 -0.76 -0.54 0.00 0.00 174.62 174.47 1v4r s LEU 33 N -5.49 4.28 0.73 4.79 1.43 -0.36 -4.50 118.68 119.56 1v4r s LEU 33 Ca 0.59 2.74 -0.11 0.00 -1.03 0.00 0.00 54.13 56.32 1v4r s LEU 33 Cb -0.12 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.32 1v4r s LEU 33 CO 0.52 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 175.23 1v4r s PRO 34 N -2.12 2.64 0.35 1.29 0.04 -1.26 -5.01 135.00 130.92 1v4r s PRO 34 Ca 0.55 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 1v4r s PRO 34 Cb -0.40 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1v4r s PRO 34 CO 0.53 -1.22 1.33 -1.12 0.04 0.00 0.00 177.00 176.56 1v4r s SER 35 N -4.13 6.65 0.57 6.66 0.01 -1.26 -4.88 113.70 117.33 1v4r s SER 35 Ca 0.59 2.74 0.29 0.00 1.31 0.00 0.00 55.95 60.88 1v4r s SER 35 Cb -0.13 -2.65 1.47 0.00 0.21 0.00 0.00 66.02 64.92 1v4r s SER 35 CO 0.53 -0.62 1.90 -0.37 0.41 0.00 0.00 173.24 175.08 1v4r h VAL 36 N 2.96 0.43 -0.86 3.43 -1.51 -1.95 0.68 116.25 119.44 1v4r h VAL 36 Ca -0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1v4r h VAL 36 Cb 1.23 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.95 1v4r h VAL 36 CO 0.65 0.00 0.53 0.00 -1.23 0.00 0.00 177.57 177.52 1v4r h ALA 37 N 1.49 1.32 -0.07 5.19 0.00 -1.96 -2.27 119.26 122.97 1v4r h ALA 37 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1v4r h ALA 37 Cb 1.31 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1v4r h ALA 37 CO -0.00 0.60 -0.01 0.22 0.00 0.00 0.00 179.25 180.06 1v4r h ASP 38 N 1.17 0.13 -0.19 0.00 1.82 -1.21 -0.29 116.42 117.84 1v4r h ASP 38 Ca 0.31 -0.33 0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1v4r h ASP 38 Cb -0.07 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.86 1v4r h ASP 38 CO -0.06 0.43 -0.10 0.40 -1.61 0.00 0.00 179.24 178.30 1v4r h ILE 39 N -0.18 0.69 -0.00 2.25 5.03 -1.58 -0.70 117.51 123.03 1v4r h ILE 39 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1v4r h ILE 39 Cb 0.37 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1v4r h ILE 39 CO 0.00 0.00 -0.06 -2.11 -0.68 0.00 0.00 178.15 175.31 1v4r n ARG 40 N -5.25 0.03 0.06 2.37 1.85 -0.86 0.59 116.66 115.44 1v4r n ARG 40 Ca -0.02 -0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.62 1v4r n ARG 40 Cb 0.17 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 29.94 1v4r n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1v4r h ALA 41 N 3.03 0.24 0.00 2.89 0.00 -0.38 -3.28 119.26 121.76 1v4r h ALA 41 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 54.91 53.71 1v4r h ALA 41 Cb 0.49 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1v4r h ALA 41 CO 0.00 1.11 -0.45 0.37 0.00 0.00 0.00 179.25 180.28 1v4r h GLN 42 N 0.09 0.00 -4.73 0.00 5.75 -1.05 -3.36 115.11 111.81 1v4r h GLN 42 Ca -0.33 0.00 -0.73 0.00 -0.15 0.00 0.00 58.65 57.44 1v4r h GLN 42 Cb 2.07 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 30.44 1v4r h GLN 42 CO 0.16 0.09 1.22 -0.06 -2.65 0.00 0.00 178.83 177.58 1v4r s PHE 43 N -2.11 3.48 -0.98 3.99 0.08 0.20 -4.94 117.98 117.69 1v4r s PHE 43 Ca -0.13 -2.04 -0.15 0.00 0.12 0.00 0.00 56.93 54.73 1v4r s PHE 43 Cb 0.02 -4.28 -0.30 0.00 -0.57 0.00 0.00 43.02 37.88 1v4r s PHE 43 CO 0.21 -1.39 2.25 0.41 -0.10 0.00 0.00 175.22 176.60 1v4r n GLY 44 N 4.26 -0.49 3.30 4.36 0.00 -1.26 -4.00 105.19 111.37 1v4r n GLY 44 Ca 0.34 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 46.46 1v4r n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v4r s VAL 45 N 2.35 0.06 0.43 1.61 -7.23 -1.24 -3.60 120.40 112.78 1v4r s VAL 45 Ca 1.30 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1v4r s VAL 45 Cb -0.94 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 33.61 1v4r s VAL 45 CO 0.54 0.00 0.59 0.00 -0.31 0.00 0.00 175.10 175.91 1v4r n ALA 46 N -0.63 -0.27 0.10 1.32 0.00 -1.26 -4.58 120.51 115.18 1v4r n ALA 46 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 53.44 52.51 1v4r n ALA 46 Cb 0.63 0.08 0.01 0.00 0.00 0.00 0.00 19.45 20.16 1v4r n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v4r h ALA 47 N -1.11 0.60 0.00 0.00 0.00 -1.98 -3.07 119.26 113.70 1v4r h ALA 47 Ca -0.19 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 53.94 1v4r h ALA 47 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1v4r h ALA 47 CO 0.17 0.97 -1.18 1.63 0.00 0.00 0.00 179.25 180.84 1v4r n LYS 48 N -3.44 0.61 -0.04 0.00 5.02 -1.26 -4.21 118.16 114.83 1v4r n LYS 48 Ca 0.00 0.16 -0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1v4r n LYS 48 Cb 0.80 -1.82 0.25 0.00 -0.02 0.00 0.00 35.03 34.25 1v4r n LYS 48 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1v4r h THR 49 N 0.00 1.21 0.56 -0.18 2.02 -1.91 -1.45 112.91 113.16 1v4r h THR 49 Ca -0.07 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 1v4r h THR 49 Cb 1.24 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1v4r h THR 49 CO 0.02 0.29 -0.47 0.58 0.37 0.00 0.00 175.52 176.31 1v4r h VAL 50 N 0.60 0.07 0.00 3.16 2.07 -1.73 -2.22 116.25 118.20 1v4r h VAL 50 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1v4r h VAL 50 Cb 0.35 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1v4r h VAL 50 CO 0.01 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.36 1v4r n SER 51 N -5.56 0.57 0.07 0.57 2.88 -1.06 -2.34 113.62 108.75 1v4r n SER 51 Ca -0.12 0.68 -0.21 0.00 -1.33 0.00 0.00 58.87 57.89 1v4r n SER 51 Cb 0.45 -0.79 -0.12 0.00 -0.75 0.00 0.00 64.21 63.00 1v4r n SER 51 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1v4r h ARG 52 N 0.00 0.63 -0.01 -1.46 9.65 -0.67 -3.23 114.38 119.29 1v4r h ARG 52 Ca 0.00 -0.78 -0.15 0.00 -1.10 0.00 0.00 59.98 57.95 1v4r h ARG 52 Cb 0.22 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1v4r h ARG 52 CO 0.00 1.34 -0.72 0.00 2.80 0.00 0.00 179.97 183.39 1v4r h ALA 53 N 0.31 0.79 -0.82 2.80 0.00 -1.08 -3.20 119.26 118.07 1v4r h ALA 53 Ca -0.16 -0.64 0.23 0.00 0.00 0.00 0.00 54.91 54.34 1v4r h ALA 53 Cb 1.80 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1v4r h ALA 53 CO 0.22 0.87 0.58 -0.07 0.00 0.00 0.00 179.25 180.85 1v4r h LEU 54 N 0.03 0.03 -1.46 0.00 3.38 -1.49 0.40 115.31 116.21 1v4r h LEU 54 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1v4r h LEU 54 Cb 1.27 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1v4r h LEU 54 CO 0.10 0.01 -0.19 0.00 0.09 0.00 0.00 178.44 178.45 1v4r h ALA 55 N 1.60 1.13 0.00 1.53 0.00 -1.65 -1.82 119.26 120.05 1v4r h ALA 55 Ca 0.39 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1v4r h ALA 55 Cb 1.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1v4r h ALA 55 CO -0.02 0.24 -1.17 0.28 0.00 0.00 0.00 179.25 178.58 1v4r h VAL 56 N 0.00 0.36 0.00 0.00 2.07 -0.44 -3.33 116.25 114.91 1v4r h VAL 56 Ca -0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1v4r h VAL 56 Cb 0.58 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1v4r h VAL 56 CO 0.02 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 1v4r h LEU 57 N 0.00 0.00 0.40 2.57 4.07 -0.33 -0.87 115.31 121.14 1v4r h LEU 57 Ca -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1v4r h LEU 57 Cb 1.37 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.09 1v4r h LEU 57 CO 0.03 0.00 -0.48 0.11 -1.08 0.00 0.00 178.44 177.02 1v4r h LYS 58 N 0.00 -0.88 0.08 1.13 1.57 -1.63 0.67 116.57 117.51 1v4r h LYS 58 Ca 0.00 0.06 -0.36 0.00 -1.87 0.00 0.00 60.65 58.48 1v4r h LYS 58 Cb 0.42 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1v4r h LYS 58 CO 0.00 -0.59 -2.08 0.43 -0.57 0.00 0.00 179.45 176.65 1v4r n SER 59 N -5.54 2.06 -0.09 0.86 7.64 -1.19 -4.14 113.62 113.22 1v4r n SER 59 Ca -0.11 0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 1v4r n SER 59 Cb 0.44 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1v4r n SER 59 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1v4r n GLU 60 N -3.54 0.52 0.01 1.43 2.13 -0.36 -4.49 120.64 116.33 1v4r n GLU 60 Ca -0.36 0.45 0.11 0.00 0.66 0.00 0.00 57.16 58.01 1v4r n GLU 60 Cb 1.00 -1.63 0.47 0.00 0.27 0.00 0.00 31.44 31.55 1v4r n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1v4r n GLY 61 N 1.49 -1.28 2.19 8.31 0.00 -1.03 -4.93 105.19 109.93 1v4r n GLY 61 Ca -0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.54 -5.06 -4.09 0.99 4.77 0.22 -4.29 117.00 108.00 1v4r n LEU 62 Ca 0.05 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1v4r n LEU 62 Cb 0.26 -2.24 -0.10 0.00 -2.33 0.00 0.00 43.42 39.02 1v4r n LEU 62 CO 0.21 -1.23 -0.33 0.54 -1.33 0.00 0.00 177.39 175.25 1v4r s VAL 63 N -1.79 0.19 -0.27 4.08 0.11 -0.10 -4.38 120.40 118.25 1v4r s VAL 63 Ca 0.12 -1.81 -0.03 0.00 -2.93 0.00 0.00 61.98 57.33 1v4r s VAL 63 Cb -0.03 -1.64 0.10 0.00 -1.53 0.00 0.00 36.38 33.28 1v4r s VAL 63 CO 0.40 -0.86 0.16 -0.44 -3.33 0.00 0.00 175.10 171.03 1v4r s SER 64 N -2.95 2.84 -1.03 3.54 0.01 -0.77 -4.56 113.70 110.79 1v4r s SER 64 Ca 0.11 -1.01 -0.23 0.00 1.31 0.00 0.00 55.95 56.13 1v4r s SER 64 Cb 0.08 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1v4r s SER 64 CO -0.07 -0.41 1.84 -0.44 0.41 0.00 0.00 173.24 174.57 1v4r s SER 65 N 2.17 5.49 0.02 2.44 0.01 -1.26 -1.96 113.70 120.62 1v4r s SER 65 Ca 0.08 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 1v4r s SER 65 Cb -0.16 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 1v4r s SER 65 CO -0.30 -2.49 1.47 -0.13 0.41 0.00 0.00 173.24 172.20 1v4r s ARG 66 N 6.28 4.26 0.00 12.44 1.81 -0.46 -4.84 118.95 138.44 1v4r s ARG 66 Ca 0.64 2.07 0.26 0.00 -1.72 0.00 0.00 55.73 56.99 1v4r s ARG 66 Cb -0.03 -3.57 1.17 0.00 -0.45 0.00 0.00 34.95 32.07 1v4r s ARG 66 CO 0.02 -0.62 1.86 0.41 -0.68 0.00 0.00 175.30 176.29 1v4r n GLY 67 N 3.74 -1.35 0.29 -3.53 0.00 -1.26 -0.75 105.19 102.33 1v4r n GLY 67 Ca 0.14 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.45 1.77 0.30 4.61 0.00 -1.26 -4.68 120.51 119.80 1v4r n ALA 68 Ca 0.08 -0.69 0.12 0.00 0.00 0.00 0.00 53.44 52.94 1v4r n ALA 68 Cb 0.28 0.21 0.08 0.00 0.00 0.00 0.00 19.45 20.03 1v4r n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v4r h LEU 69 N -0.33 0.00 0.00 0.00 3.38 -1.97 -3.50 115.31 112.88 1v4r h LEU 69 Ca -0.40 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1v4r h LEU 69 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1v4r h LEU 69 CO -0.17 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1v4r n GLY 70 N 1.23 1.19 3.57 0.83 0.00 0.07 -4.88 105.19 107.20 1v4r n GLY 70 Ca 0.02 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1v4r n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v4r s THR 71 N -1.71 3.55 0.38 2.61 2.01 -1.25 -1.36 115.64 119.87 1v4r s THR 71 Ca 0.00 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.50 1v4r s THR 71 Cb 0.00 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 1v4r s THR 71 CO 0.00 -0.93 0.01 0.68 -0.69 0.00 0.00 174.62 173.70 1v4r s VAL 72 N 7.45 1.83 -0.36 3.82 -7.23 -0.83 -1.23 120.40 123.85 1v4r s VAL 72 Ca 0.64 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1v4r s VAL 72 Cb -0.14 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1v4r s VAL 72 CO 0.25 -0.02 0.54 -0.69 -0.31 0.00 0.00 175.10 174.86 1v4r s VAL 73 N -2.84 4.98 0.06 1.32 1.01 0.19 -1.85 120.40 123.27 1v4r s VAL 73 Ca 0.35 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1v4r s VAL 73 Cb 0.09 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1v4r s VAL 73 CO 0.17 -0.28 -0.19 -1.61 0.00 0.00 0.00 175.10 173.19 1v4r s GLU 74 N 2.47 1.18 -1.17 2.72 0.41 -1.26 0.43 118.70 123.48 1v4r s GLU 74 Ca 0.20 -0.96 -0.21 0.00 -0.41 0.00 0.00 54.97 53.58 1v4r s GLU 74 Cb -0.15 -1.31 -0.05 0.00 -1.78 0.00 0.00 34.13 30.84 1v4r s GLU 74 CO 0.14 0.32 1.90 1.17 -0.49 0.00 0.00 175.26 178.30 1v4r n LYS 75 N 1.61 2.05 -1.96 1.61 4.81 -1.26 -3.90 118.16 121.11 1v4r n LYS 75 Ca -0.18 -2.58 -0.42 0.00 -0.87 0.00 0.00 58.31 54.26 1v4r n LYS 75 Cb 0.54 -3.52 -0.03 0.00 0.02 0.00 0.00 35.03 32.04 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 5.51 6.61 -0.17 3.14 2.47 -1.26 -4.91 114.94 126.32 1v4r s ASN 76 Ca 0.62 2.66 -0.31 0.00 0.42 0.00 0.00 52.86 56.24 1v4r s ASN 76 Cb 0.04 -2.61 -0.08 0.00 -1.45 0.00 0.00 41.25 37.14 1v4r s ASN 76 CO 0.11 -0.77 2.10 -2.65 -3.72 0.00 0.00 177.10 172.17 1v4r n PRO 77 N 3.08 1.99 -1.91 0.43 -0.02 -1.26 -4.88 135.00 132.44 1v4r n PRO 77 Ca 0.10 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1v4r n PRO 77 Cb 0.39 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 1v4r n PRO 77 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1v4r s ILE 78 N 6.54 2.79 -0.84 4.25 1.01 -1.26 -4.82 121.20 128.87 1v4r s ILE 78 Ca 0.99 0.42 -0.21 0.00 0.00 0.00 0.00 60.65 61.85 1v4r s ILE 78 Cb -0.54 -3.27 -0.20 0.00 0.01 0.00 0.00 42.46 38.46 1v4r s ILE 78 CO 0.43 0.01 2.35 0.52 0.00 0.00 0.00 174.94 178.25 1v4r n VAL 79 N 4.39 -0.01 -3.80 2.92 0.31 -1.26 -4.89 118.33 116.00 1v4r n VAL 79 Ca 0.15 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.62 1v4r n VAL 79 Cb 0.39 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.85 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 9.60 4.58 -0.01 2.52 1.01 -1.26 -4.99 121.20 132.65 1v4r s ILE 80 Ca 1.08 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.45 1v4r s ILE 80 Cb -0.43 -3.13 -0.29 0.00 0.01 0.00 0.00 42.46 38.62 1v4r s ILE 80 CO 0.28 0.35 0.99 0.74 0.00 0.00 0.00 174.94 177.30 1v4r h THR 81 N 5.36 1.44 -1.06 2.92 2.02 -2.00 -3.33 112.91 118.27 1v4r h THR 81 Ca -0.37 -2.40 -0.63 0.00 0.77 0.00 0.00 66.41 63.77 1v4r h THR 81 Cb 1.18 2.95 -0.14 0.00 -1.74 0.00 0.00 68.15 70.39 1v4r h THR 81 CO 0.60 0.70 1.60 0.61 0.37 0.00 0.00 175.52 179.39 1v4r n GLY 82 N 1.46 4.80 1.55 2.16 0.00 -1.26 -4.54 105.19 109.36 1v4r n GLY 82 Ca -0.13 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1v4r n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r n ALA 83 N 1.47 0.43 0.77 4.61 0.00 -1.25 -5.00 120.51 121.54 1v4r n ALA 83 Ca 0.57 -0.83 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1v4r n ALA 83 Cb 0.38 0.21 0.50 0.00 0.00 0.00 0.00 19.45 20.54 1v4r n ALA 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1v4r n ASP 84 N -2.77 0.43 0.03 0.00 5.75 -1.26 -2.97 116.55 115.76 1v4r n ASP 84 Ca 0.07 0.54 -0.12 0.00 -0.01 0.00 0.00 54.79 55.27 1v4r n ASP 84 Cb 0.24 -0.66 -0.09 0.00 -1.03 0.00 0.00 41.12 39.58 1v4r n ASP 84 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1v4r h ARG 85 N 0.00 -0.14 0.00 0.11 3.08 -1.94 -3.46 114.38 112.02 1v4r h ARG 85 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1v4r h ARG 85 Cb 0.60 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1v4r h ARG 85 CO 0.00 0.33 0.00 -0.11 -1.07 0.00 0.00 179.97 179.12 1v4r n LEU 86 N -4.90 0.00 -3.66 3.04 -0.00 -1.16 -4.23 117.00 106.09 1v4r n LEU 86 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.87 1v4r n LEU 86 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.62 1v4r n LEU 86 CO 0.30 0.00 0.15 -0.75 -0.00 0.00 0.00 177.39 177.09 1v4r s LYS 87 N 0.00 0.47 -0.35 1.96 2.20 -1.26 -4.65 119.74 118.11 1v4r s LYS 87 Ca 0.00 1.18 0.07 0.00 -0.36 0.00 0.00 55.97 56.85 1v4r s LYS 87 Cb 0.00 0.45 0.51 0.00 -1.51 0.00 0.00 37.83 37.28 1v4r s LYS 87 CO 0.00 -0.21 1.52 2.89 -0.36 0.00 0.00 175.35 179.19 1v4r n ARG 88 N 5.14 2.26 0.00 4.03 1.85 -1.15 -4.95 116.66 123.84 1v4r n ARG 88 Ca -0.13 -3.36 0.00 0.00 -1.00 0.00 0.00 57.85 53.36 1v4r n ARG 88 Cb 0.51 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 1v4r n ARG 88 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1v4r n MET 89 N -1.04 0.00 0.04 2.89 2.81 -1.26 -4.36 117.12 116.20 1v4r n MET 89 Ca 0.41 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.28 1v4r n MET 89 Cb 1.03 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.53 1v4r n MET 89 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1v4r h GLU 90 N 0.00 -0.10 -6.21 0.03 4.81 -2.03 -3.41 114.58 107.67 1v4r h GLU 90 Ca 0.00 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 1v4r h GLU 90 Cb 0.00 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1v4r h GLU 90 CO 0.00 -0.07 0.71 0.15 -0.73 0.00 0.00 179.01 179.07 1v4r s LYS 91 N -3.00 3.92 -0.01 1.92 1.02 -1.26 -5.02 119.74 117.30 1v4r s LYS 91 Ca -0.02 0.76 0.04 0.00 0.02 0.00 0.00 55.97 56.77 1v4r s LYS 91 Cb 0.00 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1v4r s LYS 91 CO 0.05 -0.96 -0.12 1.21 -0.92 0.00 0.00 175.35 174.61 1v4r s ASN 92 N 1.84 4.24 0.55 2.83 2.47 -1.26 -2.92 114.94 122.69 1v4r s ASN 92 Ca 0.41 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1v4r s ASN 92 Cb -0.12 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.78 1v4r s ASN 92 CO 0.18 0.31 0.00 0.61 -3.72 0.00 0.00 177.10 174.48 1v4r n GLY 93 N 1.89 -1.70 2.29 1.21 0.00 -1.26 -4.84 105.19 102.78 1v4r n GLY 93 Ca -0.16 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1v4r n GLY 93 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1v4r n MET 94 N -0.71 3.32 -3.91 1.61 0.00 -1.26 -4.78 117.12 111.40 1v4r n MET 94 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 57.70 55.65 1v4r n MET 94 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 33.22 30.50 1v4r n MET 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1v4r s ARG 95 N 2.12 1.00 -0.06 3.17 1.70 -1.26 -5.16 118.95 120.45 1v4r s ARG 95 Ca 0.67 -1.06 0.05 0.00 -0.47 0.00 0.00 55.73 54.92 1v4r s ARG 95 Cb 0.19 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1v4r s ARG 95 CO -0.05 -0.34 -0.23 -0.47 -1.08 0.00 0.00 175.30 173.13 1v4r s TYR 96 N -3.91 2.27 -0.57 5.89 5.04 -1.26 -5.05 117.35 119.75 1v4r s TYR 96 Ca 0.11 -0.70 -0.28 0.00 -2.44 0.00 0.00 57.07 53.76 1v4r s TYR 96 Cb 0.04 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.88 1v4r s TYR 96 CO -0.06 -0.23 1.19 0.00 -1.34 0.00 0.00 175.55 175.12 1v4r s ALA 97 N -0.06 3.00 -2.02 3.97 0.00 -1.26 -4.87 121.76 120.53 1v4r s ALA 97 Ca -0.05 -0.80 0.30 0.00 0.00 0.00 0.00 51.96 51.41 1v4r s ALA 97 Cb -0.14 -4.03 1.56 0.00 0.00 0.00 0.00 23.12 20.51 1v4r s ALA 97 CO 0.04 -2.64 2.04 -0.35 0.00 0.00 0.00 175.76 174.84 1v4r n PRO 98 N 8.41 1.07 -0.19 0.00 -0.04 -1.26 -3.15 135.00 139.83 1v4r n PRO 98 Ca 0.09 -0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1v4r n PRO 98 Cb 0.49 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.11 4.51 0.81 0.55 0.00 -1.26 -5.38 105.19 105.53 1v4r n GLY 99 Ca 0.20 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11