#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 0.01 0.00 -3.26 0.00 0.13 -2.10 -3.49 132.00 123.28 2jwa h PRO 43 Ca -0.24 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.28 2jwa h PRO 43 Cb 1.14 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 2jwa h PRO 43 CO 0.34 0.44 -0.63 0.00 -0.23 0.00 0.00 178.00 177.91 2jwa n ALA 44 N -2.41 -3.78 -3.10 -0.56 0.00 -1.26 -4.86 120.51 104.55 2jwa n ALA 44 Ca -0.01 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.80 2jwa n ALA 44 Cb 0.48 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2jwa n ALA 44 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jwa s GLU 45 N -2.53 0.96 -0.17 0.00 -6.30 -1.26 -4.97 118.70 104.43 2jwa s GLU 45 Ca 0.00 -1.50 0.17 0.00 -2.50 0.00 0.00 54.97 51.13 2jwa s GLU 45 Cb 0.00 -0.71 0.44 0.00 0.00 0.00 0.00 34.13 33.86 2jwa s GLU 45 CO 0.00 -1.34 1.18 1.04 0.02 0.00 0.00 175.26 176.16 2jwa n GLN 46 N 3.03 1.49 -3.64 4.30 6.02 -1.26 -5.03 117.38 122.29 2jwa n GLN 46 Ca 0.23 -3.10 -0.07 0.00 -0.01 0.00 0.00 57.00 54.05 2jwa n GLN 46 Cb 0.52 -1.25 -0.07 0.00 1.02 0.00 0.00 30.24 30.46 2jwa n GLN 46 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2jwa s ARG 47 N -2.41 0.55 -0.29 -1.09 1.70 -1.26 -5.14 118.95 111.01 2jwa s ARG 47 Ca 0.38 0.83 0.02 0.00 -0.47 0.00 0.00 55.73 56.48 2jwa s ARG 47 Cb 0.38 0.18 0.20 0.00 -0.57 0.00 0.00 34.95 35.13 2jwa s ARG 47 CO -0.08 -0.10 0.69 0.00 -1.08 0.00 0.00 175.30 174.73 2jwa s ALA 48 N 1.01 -2.71 0.26 7.88 0.00 -1.26 -5.17 121.76 121.78 2jwa s ALA 48 Ca -0.05 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.18 2jwa s ALA 48 Cb -0.04 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2jwa s ALA 48 CO -0.12 -1.82 0.22 -1.54 0.00 0.00 0.00 175.76 172.50 2jwa s SER 49 N 2.86 5.55 0.29 0.00 1.04 -1.26 -5.01 113.70 117.17 2jwa s SER 49 Ca 0.14 -0.26 0.24 0.00 0.48 0.00 0.00 55.95 56.56 2jwa s SER 49 Cb -0.09 -1.38 1.02 0.00 0.10 0.00 0.00 66.02 65.67 2jwa s SER 49 CO -0.25 -0.08 1.73 1.55 0.98 0.00 0.00 173.24 177.18 2jwa h PRO 50 N 1.44 0.00 -0.98 4.02 0.13 -2.03 -3.15 132.00 131.43 2jwa h PRO 50 Ca -0.48 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.60 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 -1.91 1.56 3.38 -2.01 0.15 115.31 117.19 2jwa h LEU 51 Ca 0.00 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.26 2jwa h LEU 51 Cb 0.37 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2jwa h LEU 51 CO 0.00 0.29 0.56 0.74 0.09 0.00 0.00 178.44 180.12 2jwa h THR 52 N 0.72 0.63 0.42 0.22 2.02 -1.98 -1.71 112.91 113.23 2jwa h THR 52 Ca 0.53 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.67 2jwa h THR 52 Cb 0.88 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2jwa h THR 52 CO -0.30 0.01 -0.20 -1.28 0.37 0.00 0.00 175.52 174.12 2jwa h SER 53 N 0.07 -0.48 -0.74 4.18 0.87 -0.95 -0.05 113.55 116.45 2jwa h SER 53 Ca 0.38 -0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.99 2jwa h SER 53 Cb 1.41 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 63.40 2jwa h SER 53 CO -0.03 -0.07 0.28 0.40 -0.53 0.00 0.00 176.83 176.88 2jwa h ILE 54 N -1.02 0.64 -0.27 2.23 1.08 -1.39 0.26 117.51 119.05 2jwa h ILE 54 Ca -0.06 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 2jwa h ILE 54 Cb 0.55 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2jwa h ILE 54 CO 0.10 0.08 -0.06 0.40 -0.69 0.00 0.00 178.15 177.98 2jwa h ILE 55 N 0.42 1.28 -0.79 -0.67 1.08 -1.38 -1.91 117.51 115.54 2jwa h ILE 55 Ca 0.41 -1.06 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2jwa h ILE 55 Cb 0.62 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 2jwa h ILE 55 CO -0.41 0.34 0.47 0.77 -0.69 0.00 0.00 178.15 178.63 2jwa h SER 56 N 0.27 0.94 -0.13 1.72 4.64 0.09 -2.18 113.55 118.91 2jwa h SER 56 Ca 0.07 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jwa h SER 56 Cb 0.52 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2jwa h SER 56 CO 0.02 0.73 0.04 0.00 -0.87 0.00 0.00 176.83 176.76 2jwa h ALA 57 N 1.25 0.17 -0.75 5.18 0.00 -0.46 -2.34 119.26 122.30 2jwa h ALA 57 Ca 0.28 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2jwa h ALA 57 Cb -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2jwa h ALA 57 CO -0.05 -0.22 0.38 0.28 0.00 0.00 0.00 179.25 179.64 2jwa h VAL 58 N 0.02 0.84 -0.23 0.00 2.07 -1.12 -0.99 116.25 116.85 2jwa h VAL 58 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2jwa h VAL 58 Cb 0.22 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2jwa h VAL 58 CO -0.00 0.12 0.13 0.58 0.02 0.00 0.00 177.57 178.41 2jwa h VAL 59 N 0.64 1.11 0.27 2.57 2.07 -1.26 -0.30 116.25 121.36 2jwa h VAL 59 Ca 0.37 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2jwa h VAL 59 Cb 0.40 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2jwa h VAL 59 CO -0.28 0.11 -0.16 1.23 0.02 0.00 0.00 177.57 178.49 2jwa h GLY 60 N 0.26 -0.43 2.00 2.17 0.00 -0.82 -0.32 103.07 105.93 2jwa h GLY 60 Ca 0.08 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2jwa h GLY 60 CO -0.01 -0.17 -0.09 -2.22 0.00 0.00 0.00 176.54 174.05 2jwa h ILE 61 N -0.42 1.01 0.03 2.60 1.08 -1.17 -1.83 117.51 118.81 2jwa h ILE 61 Ca -0.03 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2jwa h ILE 61 Cb 0.34 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2jwa h ILE 61 CO 0.03 0.09 -0.01 0.25 -0.69 0.00 0.00 178.15 177.82 2jwa h LEU 62 N 0.00 -0.03 -1.28 1.44 5.85 -0.54 -2.45 115.31 118.29 2jwa h LEU 62 Ca -0.00 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.23 2jwa h LEU 62 Cb 0.17 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2jwa h LEU 62 CO 0.01 0.49 0.47 0.25 -0.34 0.00 0.00 178.44 179.32 2jwa h LEU 63 N -0.57 0.84 0.73 2.25 5.85 -0.81 -1.93 115.31 121.68 2jwa h LEU 63 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2jwa h LEU 63 Cb 0.52 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jwa h LEU 63 CO 0.01 0.61 -0.35 0.58 -0.34 0.00 0.00 178.44 178.95 2jwa h VAL 64 N 0.98 0.19 -0.47 1.05 2.07 -1.34 -1.87 116.25 116.86 2jwa h VAL 64 Ca 0.26 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2jwa h VAL 64 Cb -0.10 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 29.81 2jwa h VAL 64 CO -0.06 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.10 2jwa h VAL 65 N -1.12 0.60 -0.95 2.57 2.07 -1.30 -0.24 116.25 117.88 2jwa h VAL 65 Ca -0.10 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2jwa h VAL 65 Cb 0.77 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2jwa h VAL 65 CO 0.16 0.02 0.61 0.58 0.02 0.00 0.00 177.57 178.96 2jwa h VAL 66 N 0.08 0.97 -0.01 2.57 2.07 -1.33 -1.84 116.25 118.76 2jwa h VAL 66 Ca 0.24 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2jwa h VAL 66 Cb 0.36 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2jwa h VAL 66 CO -0.42 0.18 0.00 0.25 0.02 0.00 0.00 177.57 177.60 2jwa h LEU 67 N 0.98 0.02 -0.62 2.57 6.46 -0.21 -2.38 115.31 122.13 2jwa h LEU 67 Ca 0.45 -0.21 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 2jwa h LEU 67 Cb 0.40 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 2jwa h LEU 67 CO -0.21 0.23 0.30 1.23 -0.62 0.00 0.00 178.44 179.37 2jwa h GLY 68 N -0.18 0.89 0.92 3.75 0.00 -0.70 -0.87 103.07 106.88 2jwa h GLY 68 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.15 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 0.55 0.98 0.31 4.60 2.07 -1.28 -1.12 116.25 122.37 2jwa h VAL 69 Ca 0.29 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2jwa h VAL 69 Cb 0.25 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2jwa h VAL 69 CO -0.22 0.02 -0.21 0.58 0.02 0.00 0.00 177.57 177.76 2jwa h VAL 70 N 0.13 0.55 -0.19 2.57 2.07 -0.98 -1.81 116.25 118.58 2jwa h VAL 70 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2jwa h VAL 70 Cb 0.02 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2jwa h VAL 70 CO -0.05 0.00 -0.25 0.15 0.02 0.00 0.00 177.57 177.44 2jwa h PHE 71 N -0.52 -0.68 0.10 1.57 3.57 -1.06 0.27 116.94 120.19 2jwa h PHE 71 Ca -0.03 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2jwa h PHE 71 Cb 0.44 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2jwa h PHE 71 CO -0.11 -0.33 -0.47 0.78 -2.23 0.00 0.00 178.31 175.95 2jwa h GLY 72 N -0.29 -0.96 0.78 2.40 0.00 -1.07 0.58 103.07 104.50 2jwa h GLY 72 Ca 0.12 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.07 2jwa h GLY 72 CO -0.35 -0.27 0.65 -2.22 0.00 0.00 0.00 176.54 174.35 2jwa h ILE 73 N -0.69 1.11 0.89 2.60 1.08 -1.05 -1.76 117.51 119.70 2jwa h ILE 73 Ca 0.02 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2jwa h ILE 73 Cb 0.71 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2jwa h ILE 73 CO -0.28 0.22 -0.49 -0.07 -0.69 0.00 0.00 178.15 176.84 2jwa h LEU 74 N 1.20 -1.21 -1.06 1.44 3.38 0.24 -0.43 115.31 118.87 2jwa h LEU 74 Ca 0.42 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.63 2jwa h LEU 74 Cb 0.12 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 2jwa h LEU 74 CO -0.16 -0.79 0.62 0.40 0.09 0.00 0.00 178.44 178.60 2jwa h ILE 75 N -1.28 0.74 -0.16 1.22 2.04 -0.73 0.18 117.51 119.52 2jwa h ILE 75 Ca -0.12 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2jwa h ILE 75 Cb 1.01 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jwa h ILE 75 CO 0.16 0.14 0.07 0.11 0.00 0.00 0.00 178.15 178.63 2jwa h LYS 76 N 0.77 0.23 -0.21 2.37 1.57 -1.03 0.32 116.57 120.59 2jwa h LYS 76 Ca 0.56 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2jwa h LYS 76 Cb 0.86 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2jwa h LYS 76 CO -0.34 0.30 0.05 0.00 -0.57 0.00 0.00 179.45 178.89 2jwa h ARG 77 N 0.10 0.34 -0.09 3.15 3.08 0.25 -2.77 114.38 118.44 2jwa h ARG 77 Ca 0.05 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2jwa h ARG 77 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2jwa h ARG 77 CO -0.00 0.47 -0.05 0.00 -1.07 0.00 0.00 179.97 179.31 2jwa h ARG 78 N 0.15 0.13 0.00 0.04 3.08 -0.65 -3.48 114.38 113.65 2jwa h ARG 78 Ca 0.07 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.25 2jwa h ARG 78 Cb 0.29 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2jwa h ARG 78 CO 0.00 0.19 -0.20 1.04 -1.07 0.00 0.00 179.97 179.94 2jwa n GLN 79 N -4.40 -1.12 -0.01 0.04 1.13 0.09 -4.84 117.38 108.27 2jwa n GLN 79 Ca -0.01 0.74 -0.01 0.00 -1.94 0.00 0.00 57.00 55.78 2jwa n GLN 79 Cb 0.18 -1.37 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 2jwa n GLN 79 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jwa n GLN 80 N -2.35 0.04 -3.61 -1.09 6.02 -1.26 -4.98 117.38 110.14 2jwa n GLN 80 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 2jwa n GLN 80 Cb 0.25 -0.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.99 2jwa n GLN 80 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jwa s LYS 81 N -1.18 0.58 -0.72 -1.09 -2.85 -1.26 -5.09 119.74 108.14 2jwa s LYS 81 Ca -0.02 0.48 0.04 0.00 -1.00 0.00 0.00 55.97 55.47 2jwa s LYS 81 Cb 0.00 0.28 0.29 0.00 -2.06 0.00 0.00 37.83 36.34 2jwa s LYS 81 CO 0.03 -0.11 1.00 -0.89 0.10 0.00 0.00 175.35 175.48 2jwa n ILE 82 N 1.77 3.30 -3.90 3.79 5.41 -1.26 -4.99 119.36 123.49 2jwa n ILE 82 Ca -0.12 -5.49 -0.30 0.00 1.00 0.00 0.00 62.75 57.83 2jwa n ILE 82 Cb 0.56 -1.86 -0.15 0.00 -0.71 0.00 0.00 39.64 37.48 2jwa n ILE 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jwa s ARG 83 N -2.96 1.32 0.00 0.38 0.52 -1.26 -5.34 118.95 111.61 2jwa s ARG 83 Ca 0.41 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2jwa s ARG 83 Cb 0.18 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 33.09 2jwa s ARG 83 CO -0.04 -0.77 0.00 1.17 0.02 0.00 0.00 175.30 175.68