#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 -4.71 2.59 -0.13 0.00 0.04 -1.26 -4.93 135.00 126.59 2jwa s PRO 43 Ca 0.65 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 2jwa s PRO 43 Cb -0.21 -4.79 0.03 0.00 0.04 0.00 0.00 34.50 29.56 2jwa s PRO 43 CO 0.58 -3.11 -0.08 0.00 0.04 0.00 0.00 177.00 174.42 2jwa s ALA 44 N 9.67 1.45 -0.42 8.56 0.00 -1.26 -5.06 121.76 134.70 2jwa s ALA 44 Ca 0.69 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2jwa s ALA 44 Cb -0.09 -0.98 0.21 0.00 0.00 0.00 0.00 23.12 22.26 2jwa s ALA 44 CO 0.08 -0.49 0.48 -1.91 0.00 0.00 0.00 175.76 173.92 2jwa n GLU 45 N 4.90 0.46 -3.79 0.00 2.13 -1.26 -5.11 120.64 117.98 2jwa n GLU 45 Ca -0.13 -3.01 -0.13 0.00 0.66 0.00 0.00 57.16 54.56 2jwa n GLU 45 Cb 0.50 -1.46 -0.12 0.00 0.27 0.00 0.00 31.44 30.63 2jwa n GLU 45 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2jwa s GLN 46 N -0.33 0.26 -0.25 5.31 -2.07 -1.26 -5.16 119.66 116.16 2jwa s GLN 46 Ca 0.33 0.34 -0.28 0.00 -1.82 0.00 0.00 55.36 53.94 2jwa s GLN 46 Cb 0.10 0.11 0.16 0.00 -1.09 0.00 0.00 33.01 32.29 2jwa s GLN 46 CO -0.16 -0.05 1.23 -0.98 -1.32 0.00 0.00 175.29 174.02 2jwa s ARG 47 N 0.24 0.28 -0.02 9.60 1.04 -1.26 -5.07 118.95 123.76 2jwa s ARG 47 Ca -0.01 0.16 0.01 0.00 -1.04 0.00 0.00 55.73 54.84 2jwa s ARG 47 Cb -0.03 0.13 0.02 0.00 -2.04 0.00 0.00 34.95 33.04 2jwa s ARG 47 CO -0.01 -0.07 0.43 0.00 -0.04 0.00 0.00 175.30 175.61 2jwa n ALA 48 N 1.10 0.21 -2.71 7.88 0.00 -1.26 -5.16 120.51 120.56 2jwa n ALA 48 Ca -0.07 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2jwa n ALA 48 Cb 0.58 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 2jwa n ALA 48 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jwa s SER 49 N -0.35 5.05 0.43 0.00 1.04 -1.26 -5.02 113.70 113.59 2jwa s SER 49 Ca 0.00 -0.46 0.29 0.00 0.48 0.00 0.00 55.95 56.27 2jwa s SER 49 Cb 0.02 -1.11 1.22 0.00 0.10 0.00 0.00 66.02 66.26 2jwa s SER 49 CO -0.01 -0.05 1.87 1.55 0.98 0.00 0.00 173.24 177.59 2jwa h PRO 50 N 1.65 0.00 -0.98 4.02 0.13 -2.02 -3.13 132.00 131.68 2jwa h PRO 50 Ca -0.46 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.84 2jwa h PRO 50 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2jwa h PRO 50 CO 0.61 0.00 0.61 -0.07 -0.23 0.00 0.00 178.00 178.92 2jwa h LEU 51 N 0.00 0.72 -1.54 1.56 3.38 -2.00 0.21 115.31 117.64 2jwa h LEU 51 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jwa h LEU 51 Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2jwa h LEU 51 CO 0.00 0.30 0.01 0.74 0.09 0.00 0.00 178.44 179.58 2jwa h THR 52 N 0.73 1.13 0.43 0.22 2.02 -1.98 -2.21 112.91 113.24 2jwa h THR 52 Ca 0.53 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2jwa h THR 52 Cb 0.87 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2jwa h THR 52 CO -0.30 0.17 -0.20 0.28 0.37 0.00 0.00 175.52 175.83 2jwa h SER 53 N 0.30 -0.48 -0.75 4.18 0.02 -0.80 0.03 113.55 116.04 2jwa h SER 53 Ca 0.07 -0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.06 2jwa h SER 53 Cb 0.19 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.76 2jwa h SER 53 CO 0.00 -0.07 0.30 0.40 -1.14 0.00 0.00 176.83 176.32 2jwa h ILE 54 N -1.01 0.66 -0.27 3.27 2.04 -1.38 0.27 117.51 121.09 2jwa h ILE 54 Ca -0.06 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2jwa h ILE 54 Cb 0.55 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2jwa h ILE 54 CO 0.10 0.08 -0.08 0.40 0.00 0.00 0.00 178.15 178.65 2jwa h ILE 55 N 0.45 1.29 -0.83 -0.67 2.04 -1.43 -1.93 117.51 116.42 2jwa h ILE 55 Ca 0.41 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2jwa h ILE 55 Cb 0.62 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 2jwa h ILE 55 CO -0.40 0.35 0.48 0.77 0.00 0.00 0.00 178.15 179.35 2jwa h SER 56 N 0.28 1.01 -0.11 1.72 4.64 0.09 -2.18 113.55 118.99 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 0.56 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2jwa h SER 56 CO 0.03 0.79 0.03 0.00 -0.87 0.00 0.00 176.83 176.81 2jwa h ALA 57 N 1.26 0.14 -0.69 5.18 0.00 -0.46 -2.36 119.26 122.33 2jwa h ALA 57 Ca 0.30 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2jwa h ALA 57 Cb -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2jwa h ALA 57 CO -0.05 -0.23 0.32 0.28 0.00 0.00 0.00 179.25 179.57 2jwa h VAL 58 N -0.03 0.82 -0.16 0.00 2.07 -1.13 0.14 116.25 117.96 2jwa h VAL 58 Ca 0.03 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2jwa h VAL 58 Cb 0.25 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2jwa h VAL 58 CO 0.00 0.10 0.09 0.58 0.02 0.00 0.00 177.57 178.37 2jwa h VAL 59 N 0.55 1.07 -0.28 2.57 2.07 -1.29 0.55 116.25 121.49 2jwa h VAL 59 Ca 0.35 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2jwa h VAL 59 Cb 0.39 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2jwa h VAL 59 CO -0.29 0.07 0.16 1.23 0.02 0.00 0.00 177.57 178.76 2jwa h GLY 60 N 0.18 0.42 1.89 2.17 0.00 -0.84 -1.21 103.07 105.68 2jwa h GLY 60 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2jwa h GLY 60 CO -0.01 0.18 -0.24 -2.22 0.00 0.00 0.00 176.54 174.26 2jwa h ILE 61 N 0.34 1.21 -0.16 2.60 2.04 -0.88 -2.14 117.51 120.53 2jwa h ILE 61 Ca 0.10 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2jwa h ILE 61 Cb 0.06 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2jwa h ILE 61 CO -0.02 0.29 -0.14 0.25 0.00 0.00 0.00 178.15 178.53 2jwa h LEU 62 N 0.12 0.39 -1.02 1.44 5.85 -0.49 -2.45 115.31 119.15 2jwa h LEU 62 Ca 0.02 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2jwa h LEU 62 Cb 0.49 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jwa h LEU 62 CO 0.03 0.78 0.25 0.25 -0.34 0.00 0.00 178.44 179.41 2jwa h LEU 63 N 0.01 0.87 0.63 2.25 6.46 -1.05 -2.25 115.31 122.23 2jwa h LEU 63 Ca 0.03 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2jwa h LEU 63 Cb 0.66 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2jwa h LEU 63 CO 0.04 0.78 -0.30 0.58 -0.62 0.00 0.00 178.44 178.92 2jwa h VAL 64 N 0.93 0.32 -0.40 1.05 2.07 -1.35 -1.93 116.25 116.94 2jwa h VAL 64 Ca 0.22 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.64 2jwa h VAL 64 Cb 0.20 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 2jwa h VAL 64 CO -0.02 0.02 -0.12 0.58 0.02 0.00 0.00 177.57 178.06 2jwa h VAL 65 N -0.98 0.56 -0.97 2.57 2.07 -1.38 -0.40 116.25 117.73 2jwa h VAL 65 Ca -0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.55 2jwa h VAL 65 Cb 0.69 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 2jwa h VAL 65 CO 0.14 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.93 2jwa h VAL 66 N -0.02 0.94 -0.03 2.57 2.07 -1.38 -1.82 116.25 118.58 2jwa h VAL 66 Ca 0.20 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jwa h VAL 66 Cb 0.32 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2jwa h VAL 66 CO -0.43 0.18 0.01 0.25 0.02 0.00 0.00 177.57 177.60 2jwa h LEU 67 N 0.97 0.04 -0.60 2.57 6.46 -0.28 -2.36 115.31 122.10 2jwa h LEU 67 Ca 0.47 -0.20 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 2jwa h LEU 67 Cb 0.46 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 2jwa h LEU 67 CO -0.23 0.22 0.28 1.23 -0.62 0.00 0.00 178.44 179.33 2jwa h GLY 68 N -0.15 0.86 0.91 3.75 0.00 -0.61 -0.25 103.07 107.59 2jwa h GLY 68 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2jwa h GLY 68 CO -0.00 0.07 0.05 -2.08 0.00 0.00 0.00 176.54 174.58 2jwa h VAL 69 N 0.52 0.98 0.39 4.60 2.07 -1.27 -0.77 116.25 122.76 2jwa h VAL 69 Ca 0.28 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 2jwa h VAL 69 Cb 0.26 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2jwa h VAL 69 CO -0.23 0.02 -0.19 0.58 0.02 0.00 0.00 177.57 177.78 2jwa h VAL 70 N 0.11 0.62 -0.18 2.57 2.07 -0.99 -1.96 116.25 118.50 2jwa h VAL 70 Ca 0.05 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2jwa h VAL 70 Cb 0.03 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 2jwa h VAL 70 CO -0.05 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.43 2jwa h PHE 71 N -0.52 -0.70 0.12 1.57 3.57 -0.96 0.27 116.94 120.29 2jwa h PHE 71 Ca -0.05 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jwa h PHE 71 Cb 0.40 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 2jwa h PHE 71 CO -0.05 -0.34 -0.48 0.78 -2.23 0.00 0.00 178.31 176.00 2jwa h GLY 72 N -0.30 -1.00 0.77 2.40 0.00 -1.06 0.89 103.07 104.77 2jwa h GLY 72 Ca 0.11 0.58 0.06 0.00 0.00 0.00 0.00 47.33 48.08 2jwa h GLY 72 CO -0.35 -0.27 0.64 -2.22 0.00 0.00 0.00 176.54 174.34 2jwa h ILE 73 N -0.71 1.10 0.93 2.60 1.08 -1.09 -1.95 117.51 119.47 2jwa h ILE 73 Ca 0.01 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2jwa h ILE 73 Cb 0.73 -0.17 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2jwa h ILE 73 CO -0.27 0.21 -0.47 -0.07 -0.69 0.00 0.00 178.15 176.87 2jwa h LEU 74 N 1.17 -1.12 -1.53 1.44 3.38 0.26 -0.54 115.31 118.37 2jwa h LEU 74 Ca 0.42 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.65 2jwa h LEU 74 Cb 0.15 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 2jwa h LEU 74 CO -0.16 -0.78 0.61 0.40 0.09 0.00 0.00 178.44 178.60 2jwa h ILE 75 N -1.28 0.66 0.65 1.22 2.04 -0.65 -0.01 117.51 120.14 2jwa h ILE 75 Ca -0.13 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 2jwa h ILE 75 Cb 0.99 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jwa h ILE 75 CO 0.20 0.07 -0.31 0.11 0.00 0.00 0.00 178.15 178.22 2jwa h LYS 76 N 0.38 -0.84 -0.25 2.37 1.57 -0.98 -3.05 116.57 115.78 2jwa h LYS 76 Ca 0.48 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.39 2jwa h LYS 76 Cb 1.23 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 2jwa h LYS 76 CO -0.18 -0.56 0.27 0.00 -0.57 0.00 0.00 179.45 178.42 2jwa h ARG 77 N -1.23 0.00 0.00 3.15 2.47 -0.52 0.24 114.38 118.49 2jwa h ARG 77 Ca -0.09 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 2jwa h ARG 77 Cb 0.67 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2jwa h ARG 77 CO 0.15 0.00 -0.10 0.00 0.56 0.00 0.00 179.97 180.58 2jwa h ARG 78 N 0.00 0.00 -6.55 0.04 2.47 -0.91 -3.45 114.38 105.98 2jwa h ARG 78 Ca 0.12 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.25 2jwa h ARG 78 Cb 0.66 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 29.13 2jwa h ARG 78 CO -0.00 0.10 -0.11 0.00 0.56 0.00 0.00 179.97 180.52 2jwa n GLN 79 N -3.39 0.90 -3.31 0.04 10.64 0.84 -2.66 117.38 120.45 2jwa n GLN 79 Ca -0.01 0.33 -0.17 0.00 -1.83 0.00 0.00 57.00 55.32 2jwa n GLN 79 Cb 0.27 -1.84 0.07 0.00 -0.86 0.00 0.00 30.24 27.88 2jwa n GLN 79 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2jwa n GLN 80 N 0.07 -6.11 -1.10 2.61 -0.06 -1.26 -4.99 117.38 106.54 2jwa n GLN 80 Ca 0.11 0.70 -0.30 0.00 -2.00 0.00 0.00 57.00 55.51 2jwa n GLN 80 Cb 0.42 -5.32 0.15 0.00 -4.06 0.00 0.00 30.24 21.44 2jwa n GLN 80 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2jwa s LYS 81 N -5.62 0.96 -0.99 3.69 -0.14 -1.09 -4.93 119.74 111.62 2jwa s LYS 81 Ca 0.25 0.85 -0.04 0.00 -1.36 0.00 0.00 55.97 55.67 2jwa s LYS 81 Cb -0.11 -1.77 0.15 0.00 -1.68 0.00 0.00 37.83 34.42 2jwa s LYS 81 CO 0.61 -2.45 2.39 -0.89 -0.76 0.00 0.00 175.35 174.24 2jwa n ILE 82 N -4.03 4.71 -2.75 2.17 2.08 -1.26 -4.72 119.36 115.55 2jwa n ILE 82 Ca 0.07 -4.20 -0.33 0.00 0.56 0.00 0.00 62.75 58.85 2jwa n ILE 82 Cb 0.55 -1.79 -0.01 0.00 -0.75 0.00 0.00 39.64 37.64 2jwa n ILE 82 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2jwa n ARG 83 N 1.04 4.15 0.00 0.38 1.85 -1.26 -5.32 116.66 117.50 2jwa n ARG 83 Ca 0.56 -4.71 0.01 0.00 -1.00 0.00 0.00 57.85 52.70 2jwa n ARG 83 Cb 0.33 -2.34 0.01 0.00 -1.05 0.00 0.00 32.46 29.41 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25