#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwa s PRO 43 N -2.03 2.85 -0.28 0.00 0.04 -1.26 -4.93 135.00 129.40 2jwa s PRO 43 Ca 0.39 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 2jwa s PRO 43 Cb 0.19 -4.32 0.08 0.00 0.04 0.00 0.00 34.50 30.49 2jwa s PRO 43 CO -0.07 -2.46 0.68 0.00 0.04 0.00 0.00 177.00 175.19 2jwa s ALA 44 N 8.35 -1.86 -0.37 8.56 0.00 -1.26 -5.04 121.76 130.14 2jwa s ALA 44 Ca 0.70 2.39 0.06 0.00 0.00 0.00 0.00 51.96 55.11 2jwa s ALA 44 Cb -0.15 -1.43 0.60 0.00 0.00 0.00 0.00 23.12 22.14 2jwa s ALA 44 CO 0.24 -0.40 1.71 -1.91 0.00 0.00 0.00 175.76 175.40 2jwa n GLU 45 N 4.38 2.10 -1.24 0.00 0.00 -1.26 -5.06 120.64 119.55 2jwa n GLU 45 Ca -0.20 -3.10 0.15 0.00 0.00 0.00 0.00 57.16 54.02 2jwa n GLU 45 Cb 0.58 -2.01 -0.08 0.00 0.00 0.00 0.00 31.44 29.93 2jwa n GLU 45 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2jwa n GLN 46 N -1.11 -2.87 -4.51 5.31 7.27 -1.26 -5.04 117.38 115.17 2jwa n GLN 46 Ca 0.47 2.33 -0.27 0.00 0.07 0.00 0.00 57.00 59.61 2jwa n GLN 46 Cb 1.37 -3.36 -0.07 0.00 2.41 0.00 0.00 30.24 30.59 2jwa n GLN 46 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jwa n ARG 47 N -4.03 0.58 -1.11 3.69 5.12 -1.26 -5.07 116.66 114.58 2jwa n ARG 47 Ca -0.08 -3.60 -0.01 0.00 -1.93 0.00 0.00 57.85 52.23 2jwa n ARG 47 Cb 0.59 1.90 0.00 0.00 -1.16 0.00 0.00 32.46 33.79 2jwa n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jwa n ALA 48 N -1.01 -0.73 -2.32 7.54 0.00 -1.26 -5.16 120.51 117.56 2jwa n ALA 48 Ca -0.17 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 2jwa n ALA 48 Cb 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2jwa n ALA 48 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jwa s SER 49 N -0.21 6.20 0.10 0.00 0.01 -1.26 -5.02 113.70 113.52 2jwa s SER 49 Ca 0.01 0.80 -0.15 0.00 1.31 0.00 0.00 55.95 57.92 2jwa s SER 49 Cb 0.04 -2.14 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 2jwa s SER 49 CO -0.01 -0.57 1.42 1.55 0.41 0.00 0.00 173.24 176.04 2jwa h PRO 50 N 0.29 0.70 -0.68 12.44 0.13 -2.02 -3.05 132.00 139.80 2jwa h PRO 50 Ca -0.47 -0.37 0.20 0.00 -0.87 0.00 0.00 66.00 64.49 2jwa h PRO 50 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2jwa h PRO 50 CO 0.61 0.98 0.52 -0.07 -0.23 0.00 0.00 178.00 179.81 2jwa h LEU 51 N 0.44 0.00 -1.50 1.56 3.38 -2.01 0.24 115.31 117.42 2jwa h LEU 51 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jwa h LEU 51 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2jwa h LEU 51 CO 0.07 0.00 -0.01 0.74 0.09 0.00 0.00 178.44 179.33 2jwa h THR 52 N 0.00 1.14 0.46 0.22 2.02 -1.94 -2.22 112.91 112.58 2jwa h THR 52 Ca 0.33 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2jwa h THR 52 Cb 1.35 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2jwa h THR 52 CO -0.00 0.18 -0.22 0.28 0.37 0.00 0.00 175.52 176.13 2jwa h SER 53 N 0.31 -0.52 -0.74 4.18 0.02 -0.66 0.10 113.55 116.24 2jwa h SER 53 Ca 0.07 -0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 2jwa h SER 53 Cb 0.22 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 2jwa h SER 53 CO 0.01 -0.12 0.28 0.40 -1.14 0.00 0.00 176.83 176.26 2jwa h ILE 54 N -1.03 0.64 -0.29 3.27 1.08 -1.52 0.26 117.51 119.93 2jwa h ILE 54 Ca -0.06 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 64.20 2jwa h ILE 54 Cb 0.57 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2jwa h ILE 54 CO 0.10 0.08 -0.05 0.40 -0.69 0.00 0.00 178.15 177.99 2jwa h ILE 55 N 0.42 1.28 -0.77 -0.67 2.04 -1.43 -1.90 117.51 116.47 2jwa h ILE 55 Ca 0.41 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2jwa h ILE 55 Cb 0.62 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2jwa h ILE 55 CO -0.41 0.34 0.45 0.77 0.00 0.00 0.00 178.15 179.30 2jwa h SER 56 N 0.30 0.94 -0.16 1.72 4.64 0.13 -2.19 113.55 118.94 2jwa h SER 56 Ca 0.07 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jwa h SER 56 Cb 0.52 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jwa h SER 56 CO 0.02 0.75 0.05 0.00 -0.87 0.00 0.00 176.83 176.78 2jwa h ALA 57 N 1.24 0.21 -0.64 5.18 0.00 -0.46 -2.36 119.26 122.42 2jwa h ALA 57 Ca 0.28 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2jwa h ALA 57 Cb -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2jwa h ALA 57 CO -0.05 -0.18 0.28 0.28 0.00 0.00 0.00 179.25 179.59 2jwa h VAL 58 N 0.08 0.83 -0.18 0.00 2.07 -1.12 0.15 116.25 118.08 2jwa h VAL 58 Ca 0.05 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2jwa h VAL 58 Cb 0.22 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2jwa h VAL 58 CO -0.00 0.09 0.12 0.58 0.02 0.00 0.00 177.57 178.38 2jwa h VAL 59 N 0.50 1.05 -0.24 2.57 2.07 -1.28 0.84 116.25 121.77 2jwa h VAL 59 Ca 0.31 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 2jwa h VAL 59 Cb 0.34 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2jwa h VAL 59 CO -0.27 0.05 0.13 1.23 0.02 0.00 0.00 177.57 178.73 2jwa h GLY 60 N 0.23 0.36 1.95 2.17 0.00 -0.85 -1.22 103.07 105.71 2jwa h GLY 60 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2jwa h GLY 60 CO -0.01 0.16 -0.25 -2.22 0.00 0.00 0.00 176.54 174.22 2jwa h ILE 61 N 0.27 1.20 -0.17 2.60 2.04 -0.85 -2.04 117.51 120.55 2jwa h ILE 61 Ca 0.08 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 2jwa h ILE 61 Cb 0.08 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2jwa h ILE 61 CO -0.01 0.27 -0.21 0.25 0.00 0.00 0.00 178.15 178.45 2jwa h LEU 62 N 0.06 0.48 -0.94 1.44 5.85 -0.44 -2.46 115.31 119.30 2jwa h LEU 62 Ca 0.01 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 2jwa h LEU 62 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2jwa h LEU 62 CO 0.03 0.88 0.10 0.25 -0.34 0.00 0.00 178.44 179.36 2jwa h LEU 63 N 0.09 0.83 0.60 2.25 5.85 -1.03 -2.30 115.31 121.60 2jwa h LEU 63 Ca 0.02 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2jwa h LEU 63 Cb 0.76 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.58 2jwa h LEU 63 CO 0.05 0.83 -0.29 0.58 -0.34 0.00 0.00 178.44 179.27 2jwa h VAL 64 N 0.83 0.35 -0.38 1.05 2.07 -1.35 -1.87 116.25 116.95 2jwa h VAL 64 Ca 0.18 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.57 2jwa h VAL 64 Cb 0.36 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2jwa h VAL 64 CO 0.01 0.03 -0.11 0.58 0.02 0.00 0.00 177.57 178.09 2jwa h VAL 65 N -0.95 0.58 -0.94 2.57 2.07 -1.40 -0.47 116.25 117.72 2jwa h VAL 65 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2jwa h VAL 65 Cb 0.66 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2jwa h VAL 65 CO 0.14 0.00 0.60 0.58 0.02 0.00 0.00 177.57 178.91 2jwa h VAL 66 N -0.03 0.95 -0.03 2.57 2.07 -1.40 -1.82 116.25 118.56 2jwa h VAL 66 Ca 0.18 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jwa h VAL 66 Cb 0.31 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2jwa h VAL 66 CO -0.40 0.17 0.01 0.25 0.02 0.00 0.00 177.57 177.61 2jwa h LEU 67 N 0.92 0.04 -0.60 2.57 7.12 -0.26 -2.38 115.31 122.72 2jwa h LEU 67 Ca 0.45 -0.22 0.07 0.00 0.13 0.00 0.00 57.88 58.30 2jwa h LEU 67 Cb 0.45 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.51 2jwa h LEU 67 CO -0.21 0.25 0.29 1.23 -0.13 0.00 0.00 178.44 179.88 2jwa h GLY 68 N -0.17 0.86 0.91 3.75 0.00 -0.61 -0.15 103.07 107.66 2jwa h GLY 68 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jwa h GLY 68 CO -0.00 0.08 0.06 -2.08 0.00 0.00 0.00 176.54 174.60 2jwa h VAL 69 N 0.54 0.98 0.38 4.60 2.07 -1.29 -0.69 116.25 122.84 2jwa h VAL 69 Ca 0.28 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2jwa h VAL 69 Cb 0.24 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2jwa h VAL 69 CO -0.22 0.03 -0.18 0.58 0.02 0.00 0.00 177.57 177.80 2jwa h VAL 70 N 0.14 0.63 -0.19 2.57 2.07 -0.99 -2.03 116.25 118.45 2jwa h VAL 70 Ca 0.06 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2jwa h VAL 70 Cb 0.02 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2jwa h VAL 70 CO -0.05 0.01 -0.24 0.15 0.02 0.00 0.00 177.57 177.46 2jwa h PHE 71 N -0.54 -0.64 0.06 1.57 3.57 -0.94 0.27 116.94 120.29 2jwa h PHE 71 Ca -0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jwa h PHE 71 Cb 0.41 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 2jwa h PHE 71 CO -0.04 -0.32 -0.43 0.78 -2.23 0.00 0.00 178.31 176.06 2jwa h GLY 72 N -0.27 -0.85 0.84 2.40 0.00 -1.05 0.29 103.07 104.43 2jwa h GLY 72 Ca 0.12 0.52 0.04 0.00 0.00 0.00 0.00 47.33 48.02 2jwa h GLY 72 CO -0.35 -0.26 0.63 -2.22 0.00 0.00 0.00 176.54 174.34 2jwa h ILE 73 N -0.63 1.14 0.56 2.60 2.04 -1.07 -1.13 117.51 121.02 2jwa h ILE 73 Ca 0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2jwa h ILE 73 Cb 0.68 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2jwa h ILE 73 CO -0.28 0.22 -0.37 -0.07 0.00 0.00 0.00 178.15 177.64 2jwa h LEU 74 N 1.19 -0.95 -1.90 1.44 3.38 0.25 -0.36 115.31 118.36 2jwa h LEU 74 Ca 0.39 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.46 2jwa h LEU 74 Cb 0.04 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jwa h LEU 74 CO -0.13 -0.57 0.14 0.40 0.09 0.00 0.00 178.44 178.37 2jwa h ILE 75 N -0.89 0.97 0.08 1.22 2.04 -0.76 -0.31 117.51 119.85 2jwa h ILE 75 Ca -0.07 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jwa h ILE 75 Cb 0.74 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2jwa h ILE 75 CO 0.05 0.02 -0.04 0.11 0.00 0.00 0.00 178.15 178.30 2jwa h LYS 76 N 0.13 -0.10 -0.30 2.37 1.57 -0.64 -0.43 116.57 119.18 2jwa h LYS 76 Ca 0.09 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2jwa h LYS 76 Cb 0.20 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2jwa h LYS 76 CO -0.01 0.24 0.07 0.00 -0.57 0.00 0.00 179.45 179.18 2jwa h ARG 77 N -0.44 0.47 0.00 3.15 2.47 -0.61 -2.64 114.38 116.78 2jwa h ARG 77 Ca -0.01 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 2jwa h ARG 77 Cb 0.38 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2jwa h ARG 77 CO 0.02 0.55 -0.14 0.00 0.56 0.00 0.00 179.97 180.96 2jwa h ARG 78 N 0.31 0.00 0.00 0.04 3.08 -1.10 -3.48 114.38 113.23 2jwa h ARG 78 Ca 0.09 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.30 2jwa h ARG 78 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 2jwa h ARG 78 CO 0.00 0.14 -0.21 1.04 -1.07 0.00 0.00 179.97 179.87 2jwa n GLN 79 N -4.09 -1.19 -0.68 0.04 1.13 -0.17 -4.76 117.38 107.65 2jwa n GLN 79 Ca -0.02 0.78 -0.32 0.00 -1.94 0.00 0.00 57.00 55.50 2jwa n GLN 79 Cb 0.22 -1.45 0.17 0.00 0.11 0.00 0.00 30.24 29.29 2jwa n GLN 79 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2jwa n GLN 80 N -2.43 -1.43 -2.75 -1.09 7.27 -1.26 -4.47 117.38 111.22 2jwa n GLN 80 Ca 0.00 -0.40 -0.03 0.00 0.07 0.00 0.00 57.00 56.65 2jwa n GLN 80 Cb 0.27 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.14 2jwa n GLN 80 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2jwa n LYS 81 N -2.30 -3.01 -3.17 3.69 5.02 -1.26 -4.97 118.16 112.16 2jwa n LYS 81 Ca 0.02 2.50 -0.30 0.00 -2.02 0.00 0.00 58.31 58.51 2jwa n LYS 81 Cb 0.60 -5.46 -0.05 0.00 -0.02 0.00 0.00 35.03 30.10 2jwa n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2jwa n ILE 82 N 0.28 3.27 -2.67 -0.18 5.41 -1.26 -4.84 119.36 119.37 2jwa n ILE 82 Ca 0.05 -5.49 -0.03 0.00 1.00 0.00 0.00 62.75 58.28 2jwa n ILE 82 Cb 0.19 -1.86 0.04 0.00 -0.71 0.00 0.00 39.64 37.30 2jwa n ILE 82 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2jwa n ARG 83 N 0.54 0.08 0.00 0.38 1.85 -1.26 -5.23 116.66 113.02 2jwa n ARG 83 Ca 0.31 -0.72 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 2jwa n ARG 83 Cb 0.38 0.15 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25