#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwa h PRO 43 N 3.95 0.44 -7.09 0.00 0.13 -2.12 -3.45 132.00 123.86 2jwa h PRO 43 Ca 0.13 -0.23 -0.47 0.00 -0.87 0.00 0.00 66.00 64.56 2jwa h PRO 43 Cb 0.77 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.93 2jwa h PRO 43 CO 0.65 0.79 0.38 0.00 -0.23 0.00 0.00 178.00 179.59 2jwa s ALA 44 N -4.33 2.89 -0.76 -0.56 0.00 -1.26 -5.00 121.76 112.74 2jwa s ALA 44 Ca -0.14 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.37 2jwa s ALA 44 Cb 0.06 -3.23 0.31 0.00 0.00 0.00 0.00 23.12 20.26 2jwa s ALA 44 CO 0.77 -0.29 1.17 -1.91 0.00 0.00 0.00 175.76 175.49 2jwa n GLU 45 N -1.07 3.73 -3.32 0.00 2.13 -1.26 -5.01 120.64 115.84 2jwa n GLU 45 Ca 0.09 -4.74 -0.09 0.00 0.66 0.00 0.00 57.16 53.08 2jwa n GLU 45 Cb 0.53 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2jwa n GLU 45 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2jwa n GLN 46 N 0.28 0.73 -2.84 5.31 7.27 -1.26 -5.13 117.38 121.74 2jwa n GLN 46 Ca 0.34 -1.97 -0.05 0.00 0.07 0.00 0.00 57.00 55.38 2jwa n GLN 46 Cb 0.36 2.16 0.00 0.00 2.41 0.00 0.00 30.24 35.17 2jwa n GLN 46 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2jwa s ARG 47 N -2.34 1.04 -0.15 3.69 3.52 -1.26 -5.14 118.95 118.32 2jwa s ARG 47 Ca 0.17 -1.07 -0.17 0.00 -0.13 0.00 0.00 55.73 54.54 2jwa s ARG 47 Cb -0.02 -0.13 0.04 0.00 -1.56 0.00 0.00 34.95 33.28 2jwa s ARG 47 CO 0.13 -1.32 0.45 0.00 -0.81 0.00 0.00 175.30 173.75 2jwa s ALA 48 N 0.90 -1.13 0.28 6.12 0.00 -1.26 -5.17 121.76 121.50 2jwa s ALA 48 Ca 0.29 1.19 0.11 0.00 0.00 0.00 0.00 51.96 53.55 2jwa s ALA 48 Cb -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 2jwa s ALA 48 CO -0.06 -0.23 -0.12 -1.54 0.00 0.00 0.00 175.76 173.81 2jwa s SER 49 N 0.01 3.93 0.38 0.00 1.04 -1.26 -5.04 113.70 112.77 2jwa s SER 49 Ca -0.02 -0.91 0.17 0.00 0.48 0.00 0.00 55.95 55.66 2jwa s SER 49 Cb -0.03 -0.49 0.74 0.00 0.10 0.00 0.00 66.02 66.34 2jwa s SER 49 CO 0.01 -0.00 1.79 1.55 0.98 0.00 0.00 173.24 177.57 2jwa h PRO 50 N 2.11 0.00 -0.85 4.02 0.13 -2.03 -3.05 132.00 132.33 2jwa h PRO 50 Ca -0.42 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2jwa h PRO 50 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2jwa h PRO 50 CO 0.61 0.38 0.58 -0.07 -0.23 0.00 0.00 178.00 179.27 2jwa h LEU 51 N 0.00 0.26 -1.77 1.56 3.38 -2.01 0.10 115.31 116.83 2jwa h LEU 51 Ca -0.00 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.22 2jwa h LEU 51 Cb 0.78 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2jwa h LEU 51 CO 0.05 0.11 0.60 0.74 0.09 0.00 0.00 178.44 180.02 2jwa h THR 52 N 0.26 0.63 0.49 0.22 2.02 -1.97 -1.57 112.91 112.99 2jwa h THR 52 Ca 0.43 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 2jwa h THR 52 Cb 1.27 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2jwa h THR 52 CO -0.11 0.03 -0.23 -1.28 0.37 0.00 0.00 175.52 174.30 2jwa h SER 53 N 0.18 -0.55 -0.73 4.18 0.87 -1.02 0.28 113.55 116.76 2jwa h SER 53 Ca 0.43 -0.07 0.14 0.00 -1.23 0.00 0.00 61.79 61.06 2jwa h SER 53 Cb 1.40 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 63.41 2jwa h SER 53 CO -0.09 -0.16 0.28 0.40 -0.53 0.00 0.00 176.83 176.73 2jwa h ILE 54 N -1.04 0.66 -0.32 2.23 2.04 -1.45 0.27 117.51 119.89 2jwa h ILE 54 Ca -0.07 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2jwa h ILE 54 Cb 0.59 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2jwa h ILE 54 CO 0.11 0.08 -0.05 0.40 0.00 0.00 0.00 178.15 178.69 2jwa h ILE 55 N 0.42 1.27 -0.76 -0.67 1.08 -1.34 -1.86 117.51 115.65 2jwa h ILE 55 Ca 0.40 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 2jwa h ILE 55 Cb 0.60 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.63 2jwa h ILE 55 CO -0.40 0.35 0.41 0.77 -0.69 0.00 0.00 178.15 178.58 2jwa h SER 56 N 0.38 0.96 -0.19 1.72 4.64 0.19 -2.22 113.55 119.04 2jwa h SER 56 Ca 0.08 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 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 0.03 0.79 0.05 0.00 -0.87 0.00 0.00 176.83 176.83 2jwa h ALA 57 N 1.21 0.24 -0.58 5.18 0.00 -0.44 -2.36 119.26 122.51 2jwa h ALA 57 Ca 0.27 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2jwa h ALA 57 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2jwa h ALA 57 CO -0.04 -0.13 0.25 0.28 0.00 0.00 0.00 179.25 179.61 2jwa h VAL 58 N 0.12 0.84 -0.17 0.00 2.07 -1.13 -0.64 116.25 117.33 2jwa h VAL 58 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2jwa h VAL 58 Cb 0.24 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2jwa h VAL 58 CO -0.00 0.08 0.10 0.58 0.02 0.00 0.00 177.57 178.35 2jwa h VAL 59 N 0.45 1.03 -0.19 2.57 2.07 -1.29 0.39 116.25 121.28 2jwa h VAL 59 Ca 0.28 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.74 2jwa h VAL 59 Cb 0.30 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2jwa h VAL 59 CO -0.26 0.04 0.10 1.23 0.02 0.00 0.00 177.57 178.71 2jwa h GLY 60 N 0.21 0.25 1.46 2.17 0.00 -0.87 0.71 103.07 107.00 2jwa h GLY 60 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2jwa h GLY 60 CO -0.03 0.07 0.07 -2.22 0.00 0.00 0.00 176.54 174.43 2jwa h ILE 61 N 0.22 1.21 -0.14 2.60 2.04 -0.99 -1.97 117.51 120.48 2jwa h ILE 61 Ca 0.07 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 2jwa h ILE 61 Cb -0.00 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2jwa h ILE 61 CO -0.04 0.29 -0.09 0.25 0.00 0.00 0.00 178.15 178.56 2jwa h LEU 62 N 0.66 0.33 -1.06 1.44 7.12 -0.51 -2.45 115.31 120.83 2jwa h LEU 62 Ca 0.14 -0.43 0.02 0.00 0.13 0.00 0.00 57.88 57.74 2jwa h LEU 62 Cb 0.31 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.30 2jwa h LEU 62 CO 0.00 0.69 0.63 0.25 -0.13 0.00 0.00 178.44 179.89 2jwa h LEU 63 N -0.03 1.07 0.52 2.25 5.85 -0.69 -1.50 115.31 122.78 2jwa h LEU 63 Ca 0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2jwa h LEU 63 Cb 0.57 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jwa h LEU 63 CO 0.02 0.76 -0.25 0.58 -0.34 0.00 0.00 178.44 179.21 2jwa h VAL 64 N 1.26 0.46 -0.54 1.05 2.07 -1.31 -2.00 116.25 117.24 2jwa h VAL 64 Ca 0.37 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.77 2jwa h VAL 64 Cb -0.07 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 2jwa h VAL 64 CO -0.10 0.03 0.13 0.58 0.02 0.00 0.00 177.57 178.24 2jwa h VAL 65 N -0.83 0.72 -0.97 2.57 2.07 -1.26 -0.93 116.25 117.61 2jwa h VAL 65 Ca -0.07 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2jwa h VAL 65 Cb 0.59 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2jwa h VAL 65 CO 0.12 0.05 0.62 0.58 0.02 0.00 0.00 177.57 178.96 2jwa h VAL 66 N 0.28 1.05 -0.10 2.57 2.07 -1.22 -1.91 116.25 118.99 2jwa h VAL 66 Ca 0.27 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jwa h VAL 66 Cb 0.37 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2jwa h VAL 66 CO -0.33 0.20 0.04 0.25 0.02 0.00 0.00 177.57 177.75 2jwa h LEU 67 N 1.10 0.13 -0.59 2.57 6.46 -0.42 -2.31 115.31 122.26 2jwa h LEU 67 Ca 0.43 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 2jwa h LEU 67 Cb 0.23 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 2jwa h LEU 67 CO -0.19 0.24 0.30 1.23 -0.62 0.00 0.00 178.44 179.40 2jwa h GLY 68 N 0.01 0.85 0.90 3.75 0.00 -0.82 -1.41 103.07 106.36 2jwa h GLY 68 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2jwa h GLY 68 CO -0.00 0.11 0.08 -2.08 0.00 0.00 0.00 176.54 174.64 2jwa h VAL 69 N 0.57 0.98 0.23 4.60 2.07 -1.25 -1.37 116.25 122.08 2jwa h VAL 69 Ca 0.27 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2jwa h VAL 69 Cb 0.19 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2jwa h VAL 69 CO -0.19 0.03 -0.23 0.58 0.02 0.00 0.00 177.57 177.78 2jwa h VAL 70 N 0.17 0.50 -0.16 2.57 2.07 -1.02 -1.57 116.25 118.82 2jwa h VAL 70 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2jwa h VAL 70 Cb 0.02 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2jwa h VAL 70 CO -0.06 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.42 2jwa h PHE 71 N -0.50 -0.71 0.14 1.57 3.57 -1.14 0.27 116.94 120.14 2jwa h PHE 71 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2jwa h PHE 71 Cb 0.46 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2jwa h PHE 71 CO -0.16 -0.34 -0.49 0.78 -2.23 0.00 0.00 178.31 175.87 2jwa h GLY 72 N -0.32 -1.04 0.77 2.40 0.00 -1.08 0.12 103.07 103.92 2jwa h GLY 72 Ca 0.11 0.59 0.07 0.00 0.00 0.00 0.00 47.33 48.09 2jwa h GLY 72 CO -0.34 -0.27 0.63 -2.22 0.00 0.00 0.00 176.54 174.33 2jwa h ILE 73 N -0.73 1.07 0.93 2.60 1.08 -1.04 0.39 117.51 121.82 2jwa h ILE 73 Ca 0.00 -0.38 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2jwa h ILE 73 Cb 0.74 -0.14 0.01 0.00 -3.07 0.00 0.00 36.82 34.35 2jwa h ILE 73 CO -0.26 0.20 -0.45 -0.07 -0.69 0.00 0.00 178.15 176.88 2jwa h LEU 74 N 1.12 -1.06 -1.75 1.44 3.38 0.27 0.19 115.31 118.89 2jwa h LEU 74 Ca 0.42 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.49 2jwa h LEU 74 Cb 0.19 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jwa h LEU 74 CO -0.17 -0.75 0.29 0.40 0.09 0.00 0.00 178.44 178.30 2jwa h ILE 75 N -1.28 0.94 0.55 1.22 1.08 -0.61 -1.08 117.51 118.34 2jwa h ILE 75 Ca -0.13 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 2jwa h ILE 75 Cb 0.96 0.62 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2jwa h ILE 75 CO 0.21 0.05 -0.27 0.11 -0.69 0.00 0.00 178.15 177.57 2jwa h LYS 76 N 0.30 -0.72 -0.93 2.37 1.57 -0.67 -1.62 116.57 116.88 2jwa h LYS 76 Ca 0.19 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.19 2jwa h LYS 76 Cb 0.36 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2jwa h LYS 76 CO -0.04 -0.48 0.60 0.00 -0.57 0.00 0.00 179.45 178.96 2jwa h ARG 77 N -1.18 0.60 0.26 3.15 3.08 -0.42 -1.98 114.38 117.90 2jwa h ARG 77 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2jwa h ARG 77 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2jwa h ARG 77 CO 0.12 0.40 -0.12 0.00 -1.07 0.00 0.00 179.97 179.30 2jwa h ARG 78 N 0.62 -0.33 0.00 0.04 2.47 -1.21 -3.49 114.38 112.48 2jwa h ARG 78 Ca 0.49 0.02 0.15 0.00 -1.26 0.00 0.00 59.98 59.39 2jwa h ARG 78 Cb 0.92 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.28 2jwa h ARG 78 CO -0.24 -0.03 -0.20 1.04 0.56 0.00 0.00 179.97 181.09 2jwa n GLN 79 N -5.12 -1.13 -0.44 0.04 6.02 -0.61 -4.94 117.38 111.20 2jwa n GLN 79 Ca -0.09 0.75 0.06 0.00 -0.01 0.00 0.00 57.00 57.70 2jwa n GLN 79 Cb 0.24 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 2jwa n GLN 79 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jwa n GLN 80 N -2.37 -0.88 -2.68 -1.09 6.02 -1.26 -4.99 117.38 110.13 2jwa n GLN 80 Ca 0.00 0.58 -0.03 0.00 -0.01 0.00 0.00 57.00 57.54 2jwa n GLN 80 Cb 0.26 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 2jwa n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jwa n LYS 81 N -2.23 -3.97 -3.16 -1.09 4.76 -1.26 -4.95 118.16 106.26 2jwa n LYS 81 Ca 0.00 3.07 -0.30 0.00 -2.87 0.00 0.00 58.31 58.21 2jwa n LYS 81 Cb 0.20 -4.96 -0.05 0.00 -1.84 0.00 0.00 35.03 28.39 2jwa n LYS 81 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2jwa n ILE 82 N 1.34 3.32 -2.67 -0.18 5.41 -1.26 -4.73 119.36 120.60 2jwa n ILE 82 Ca -0.23 -5.50 -0.04 0.00 1.00 0.00 0.00 62.75 57.98 2jwa n ILE 82 Cb 0.38 -1.85 0.06 0.00 -0.71 0.00 0.00 39.64 37.52 2jwa n ILE 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2jwa n ARG 83 N 0.52 0.30 0.00 0.38 3.00 -1.26 -5.35 116.66 114.25 2jwa n ARG 83 Ca 0.31 -0.87 0.12 0.00 -0.00 0.00 0.00 57.85 57.41 2jwa n ARG 83 Cb 0.38 -0.15 0.21 0.00 0.00 0.00 0.00 32.46 32.89 2jwa n ARG 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80