#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvm n HIS 25 N 0.00 0.00 0.58 -1.77 1.44 -1.26 -2.02 115.22 112.19 1jvm n HIS 25 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1jvm n HIS 25 Cb 0.00 -0.43 0.34 0.00 0.12 0.00 0.00 29.99 30.02 1jvm n HIS 25 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 1jvm h TRP 26 N 0.00 0.00 0.00 -1.40 4.06 -1.99 -2.31 115.95 114.30 1jvm h TRP 26 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1jvm h TRP 26 Cb 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1jvm h TRP 26 CO 0.00 0.00 -0.14 0.00 -3.56 0.00 0.00 178.44 174.74 1jvm h ARG 27 N 0.00 0.00 0.12 0.49 3.08 -1.86 -1.77 114.38 114.44 1jvm h ARG 27 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1jvm h ARG 27 Cb 0.76 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.84 1jvm h ARG 27 CO 0.00 0.14 -1.23 0.00 -1.07 0.00 0.00 179.97 177.80 1jvm h ALA 28 N 1.86 0.05 0.16 0.04 0.00 -1.57 -3.16 119.26 116.64 1jvm h ALA 28 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1jvm h ALA 28 Cb 0.53 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jvm h ALA 28 CO 0.02 0.76 -0.17 0.00 0.00 0.00 0.00 179.25 179.86 1jvm h ALA 29 N 0.40 -0.87 -1.14 0.00 0.00 -1.28 -1.84 119.26 114.52 1jvm h ALA 29 Ca -0.17 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.02 1jvm h ALA 29 Cb 1.91 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 20.01 1jvm h ALA 29 CO 0.23 -0.88 0.71 0.78 0.00 0.00 0.00 179.25 180.09 1jvm h GLY 30 N -0.33 1.48 0.20 0.00 0.00 -1.61 0.16 103.07 102.97 1jvm h GLY 30 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1jvm h GLY 30 CO -0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 176.54 175.87 1jvm h ALA 31 N 1.68 -0.92 -0.53 3.60 0.00 -1.32 -1.50 119.26 120.27 1jvm h ALA 31 Ca 0.72 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.59 1jvm h ALA 31 Cb 1.97 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 20.29 1jvm h ALA 31 CO -0.43 -0.96 -0.51 0.00 0.00 0.00 0.00 179.25 177.35 1jvm h ALA 32 N -1.14 -0.66 -0.71 0.00 0.00 -0.31 -0.29 119.26 116.14 1jvm h ALA 32 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jvm h ALA 32 Cb 0.48 1.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1jvm h ALA 32 CO -0.09 -0.94 -0.39 2.41 0.00 0.00 0.00 179.25 180.23 1jvm n THR 33 N -5.07 -0.46 0.02 0.00 -1.04 -0.85 -0.11 114.28 106.77 1jvm n THR 33 Ca -0.02 1.72 -0.01 0.00 -2.04 0.00 0.00 64.05 63.70 1jvm n THR 33 Cb 0.28 -2.15 -0.01 0.00 -1.82 0.00 0.00 70.33 66.64 1jvm n THR 33 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jvm h VAL 34 N 0.00 0.00 -0.77 12.58 2.07 -0.05 -2.28 116.25 127.80 1jvm h VAL 34 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1jvm h VAL 34 Cb 0.32 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 1jvm h VAL 34 CO -0.68 0.00 -0.41 0.18 0.02 0.00 0.00 177.57 176.69 1jvm n LEU 35 N -2.41 -0.72 -0.08 2.57 4.77 -0.16 -0.08 117.00 120.89 1jvm n LEU 35 Ca -0.01 1.37 -0.08 0.00 -0.03 0.00 0.00 56.01 57.26 1jvm n LEU 35 Cb 0.03 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1jvm n LEU 35 CO 0.01 -1.15 0.65 0.25 -1.33 0.00 0.00 177.39 175.82 1jvm h LEU 36 N 0.00 -1.02 -1.20 2.23 5.85 -0.48 0.67 115.31 121.37 1jvm h LEU 36 Ca 0.17 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.20 1jvm h LEU 36 Cb 0.37 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1jvm h LEU 36 CO -0.74 -0.32 0.59 0.58 -0.34 0.00 0.00 178.44 178.20 1jvm h VAL 37 N -0.29 0.87 0.34 1.05 2.07 0.12 0.43 116.25 120.85 1jvm h VAL 37 Ca 0.15 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1jvm h VAL 37 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jvm h VAL 37 CO -0.47 0.15 -0.16 0.40 0.02 0.00 0.00 177.57 177.50 1jvm h ILE 38 N 0.80 0.62 -0.96 4.57 2.04 0.81 -1.87 117.51 123.52 1jvm h ILE 38 Ca 0.46 -0.56 0.24 0.00 1.00 0.00 0.00 64.86 65.99 1jvm h ILE 38 Cb 0.62 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1jvm h ILE 38 CO -0.22 0.10 0.64 0.58 0.00 0.00 0.00 178.15 179.25 1jvm h VAL 39 N -0.80 0.60 0.40 1.67 2.07 0.18 2.14 116.25 122.50 1jvm h VAL 39 Ca -0.05 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1jvm h VAL 39 Cb 0.52 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1jvm h VAL 39 CO 0.08 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 40 N 0.33 -0.45 -0.60 2.57 3.38 -0.02 2.09 115.31 122.62 1jvm h LEU 40 Ca 0.51 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.60 1jvm h LEU 40 Cb 1.40 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.20 1jvm h LEU 40 CO -0.19 -0.24 0.19 -0.07 0.09 0.00 0.00 178.44 178.22 1jvm h LEU 41 N -0.70 0.14 0.21 1.67 3.38 -0.48 3.32 115.31 122.86 1jvm h LEU 41 Ca -0.05 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jvm h LEU 41 Cb 0.41 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jvm h LEU 41 CO 0.09 0.09 -0.21 0.00 0.09 0.00 0.00 178.44 178.50 1jvm h ALA 42 N 1.43 -0.92 -0.72 1.53 0.00 0.35 0.14 119.26 121.08 1jvm h ALA 42 Ca 0.31 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1jvm h ALA 42 Cb 0.41 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1jvm h ALA 42 CO -0.34 -0.93 0.36 0.78 0.00 0.00 0.00 179.25 179.12 1jvm h GLY 43 N -0.41 1.08 0.00 0.00 0.00 0.42 0.57 103.07 104.73 1jvm h GLY 43 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jvm h GLY 43 CO -0.02 0.05 0.00 1.44 0.00 0.00 0.00 176.54 178.01 1jvm n SER 44 N -4.86 0.00 -0.25 0.19 7.64 1.10 0.11 113.62 117.54 1jvm n SER 44 Ca 0.11 0.82 0.13 0.00 1.01 0.00 0.00 58.87 60.95 1jvm n SER 44 Cb 0.28 -0.32 0.41 0.00 -1.01 0.00 0.00 64.21 63.57 1jvm n SER 44 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1jvm h TYR 45 N 0.00 0.74 0.49 1.43 3.20 -0.64 -2.17 116.97 120.03 1jvm h TYR 45 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1jvm h TYR 45 Cb 0.00 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1jvm h TYR 45 CO -0.16 0.26 -0.24 1.25 -1.64 0.00 0.00 178.16 177.64 1jvm h LEU 46 N 0.62 -0.56 -1.42 2.82 5.85 0.52 -3.30 115.31 119.83 1jvm h LEU 46 Ca 0.44 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1jvm h LEU 46 Cb 0.80 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1jvm h LEU 46 CO -0.20 -0.23 0.19 0.00 -0.34 0.00 0.00 178.44 177.87 1jvm h ALA 47 N -0.57 1.55 -0.15 1.25 0.00 0.11 -2.96 119.26 118.49 1jvm h ALA 47 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jvm h ALA 47 Cb 0.60 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1jvm h ALA 47 CO 0.11 0.36 -0.22 0.28 0.00 0.00 0.00 179.25 179.78 1jvm h VAL 48 N 0.59 0.46 0.00 0.00 2.07 -1.48 -1.18 116.25 116.71 1jvm h VAL 48 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1jvm h VAL 48 Cb 0.08 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jvm h VAL 48 CO -0.02 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 49 N -0.27 0.00 0.00 2.57 3.38 -1.62 0.41 115.31 119.78 1jvm h LEU 49 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jvm h LEU 49 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jvm h LEU 49 CO -0.30 0.03 -0.47 0.00 0.09 0.00 0.00 178.44 177.79 1jvm h ALA 50 N 1.97 0.77 0.00 1.53 0.00 -1.10 -3.40 119.26 119.02 1jvm h ALA 50 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jvm h ALA 50 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jvm h ALA 50 CO 0.00 0.36 -0.65 0.39 0.00 0.00 0.00 179.25 179.35 1jvm n GLU 51 N -3.09 0.35 -0.49 0.00 -0.58 -0.57 -4.60 120.64 111.66 1jvm n GLU 51 Ca 0.01 0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.70 1jvm n GLU 51 Cb 0.65 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 30.40 1jvm n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1jvm n ARG 52 N -3.93 0.00 -0.61 3.49 0.63 0.14 -1.53 116.66 114.85 1jvm n ARG 52 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1jvm n ARG 52 Cb 0.34 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1jvm n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jvm n GLY 53 N 0.71 0.80 3.98 5.14 0.00 -1.26 -4.94 105.19 109.62 1jvm n GLY 53 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1jvm n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 54 N -3.13 4.47 0.34 4.61 0.00 -0.58 -5.07 121.76 122.40 1jvm s ALA 54 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 1jvm s ALA 54 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1jvm s ALA 54 CO 0.00 -0.42 1.15 -2.14 0.00 0.00 0.00 175.76 174.35 1jvm s PRO 55 N -4.38 4.34 -1.45 0.00 0.02 -1.26 -3.08 135.00 129.19 1jvm s PRO 55 Ca 0.54 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1jvm s PRO 55 Cb -0.07 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1jvm s PRO 55 CO 0.33 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 1jvm n GLY 56 N 0.84 1.33 3.76 0.52 0.00 -1.26 -4.92 105.19 105.46 1jvm n GLY 56 Ca 0.02 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1jvm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 57 N -2.23 3.53 0.00 4.61 0.00 -1.18 -4.82 121.76 121.67 1jvm s ALA 57 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1jvm s ALA 57 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1jvm s ALA 57 CO 0.00 -0.64 0.00 1.04 0.00 0.00 0.00 175.76 176.16 1jvm n GLN 58 N 1.39 2.25 -1.53 0.00 6.02 -1.26 -4.75 117.38 119.50 1jvm n GLN 58 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 1jvm n GLN 58 Cb 0.42 -0.84 -0.05 0.00 1.02 0.00 0.00 30.24 30.79 1jvm n GLN 58 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jvm n LEU 59 N -1.20 7.57 -0.03 1.08 4.77 -1.26 -4.57 117.00 123.35 1jvm n LEU 59 Ca 0.00 -4.31 -0.00 0.00 -0.03 0.00 0.00 56.01 51.67 1jvm n LEU 59 Cb 0.13 -1.41 -0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1jvm n LEU 59 CO 0.00 1.95 0.01 0.40 -1.33 0.00 0.00 177.39 178.43 1jvm h ILE 60 N 2.53 0.00 -3.88 -0.08 2.04 -1.88 -3.30 117.51 112.94 1jvm h ILE 60 Ca 0.62 -0.76 -0.49 0.00 1.00 0.00 0.00 64.86 65.24 1jvm h ILE 60 Cb 0.56 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1jvm h ILE 60 CO 1.27 0.00 0.21 0.42 0.00 0.00 0.00 178.15 180.06 1jvm s THR 61 N -1.51 4.73 0.21 -0.27 -4.23 -1.26 -4.71 115.64 108.60 1jvm s THR 61 Ca -0.00 0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1jvm s THR 61 Cb 0.00 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.18 1jvm s THR 61 CO 0.01 -0.67 1.70 0.10 -0.54 0.00 0.00 174.62 175.22 1jvm h TYR 62 N 0.87 1.09 -0.54 3.99 -0.00 -1.95 -2.70 116.97 117.74 1jvm h TYR 62 Ca -0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 58.73 58.11 1jvm h TYR 62 Cb 1.19 -0.30 -0.03 0.00 -0.00 0.00 0.00 36.73 37.60 1jvm h TYR 62 CO 0.62 0.94 0.34 -1.35 -0.00 0.00 0.00 178.16 178.71 1jvm h PRO 63 N 0.95 0.72 0.63 0.10 0.11 -1.98 0.35 132.00 132.88 1jvm h PRO 63 Ca 0.18 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1jvm h PRO 63 Cb 0.47 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1jvm h PRO 63 CO 0.02 0.49 -0.30 0.00 -0.21 0.00 0.00 178.00 177.99 1jvm h ARG 64 N 0.73 -0.82 -0.90 1.05 3.08 -1.92 -2.95 114.38 112.65 1jvm h ARG 64 Ca 0.20 0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.53 1jvm h ARG 64 Cb -0.06 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.05 1jvm h ARG 64 CO -0.04 -0.52 0.38 0.00 -1.07 0.00 0.00 179.97 178.71 1jvm h ALA 65 N -1.11 1.45 0.01 0.04 0.00 -1.15 0.83 119.26 119.33 1jvm h ALA 65 Ca -0.09 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jvm h ALA 65 Cb 0.68 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1jvm h ALA 65 CO 0.14 -0.39 -0.42 1.25 0.00 0.00 0.00 179.25 179.84 1jvm h LEU 66 N 0.35 -1.26 -0.01 0.00 5.85 -0.93 -0.39 115.31 118.93 1jvm h LEU 66 Ca 0.57 0.15 0.02 0.00 0.84 0.00 0.00 57.88 59.47 1jvm h LEU 66 Cb 1.13 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 1jvm h LEU 66 CO -0.56 -0.46 -0.51 -0.25 -0.34 0.00 0.00 178.44 176.32 1jvm h TRP 67 N -0.58 -1.48 -0.95 1.25 -0.00 -0.72 -2.11 115.95 111.36 1jvm h TRP 67 Ca 0.04 0.05 0.17 0.00 -0.00 0.00 0.00 58.89 59.15 1jvm h TRP 67 Cb 0.65 0.65 -0.17 0.00 -0.00 0.00 0.00 29.16 30.30 1jvm h TRP 67 CO -0.42 -0.56 -0.32 2.35 -0.00 0.00 0.00 178.44 179.49 1jvm h TRP 68 N -0.65 -0.84 -0.74 2.65 7.01 -0.67 0.27 115.95 122.98 1jvm h TRP 68 Ca 0.02 0.10 0.15 0.00 2.11 0.00 0.00 58.89 61.27 1jvm h TRP 68 Cb 0.71 0.51 -0.10 0.00 -2.10 0.00 0.00 29.16 28.18 1jvm h TRP 68 CO -0.50 -0.41 0.23 0.77 -2.79 0.00 0.00 178.44 175.75 1jvm h SER 69 N -0.01 0.13 0.77 2.65 0.02 -0.39 0.69 113.55 117.40 1jvm h SER 69 Ca 0.38 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1jvm h SER 69 Cb 0.64 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1jvm h SER 69 CO -0.97 0.02 -0.39 0.58 -1.14 0.00 0.00 176.83 174.94 1jvm h VAL 70 N 0.34 0.20 -0.18 2.27 2.07 -0.34 0.36 116.25 120.97 1jvm h VAL 70 Ca 0.41 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.98 1jvm h VAL 70 Cb 0.67 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1jvm h VAL 70 CO -0.46 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.33 1jvm h GLU 71 N -1.06 0.00 0.03 1.57 4.81 0.31 -2.05 114.58 118.19 1jvm h GLU 71 Ca -0.10 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.82 1jvm h GLU 71 Cb 0.82 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1jvm h GLU 71 CO 0.16 0.00 -1.70 2.41 -0.73 0.00 0.00 179.01 179.15 1jvm n THR 72 N -3.48 1.58 0.32 0.32 -1.04 0.23 -1.69 114.28 110.51 1jvm n THR 72 Ca 0.02 -0.25 0.15 0.00 -2.04 0.00 0.00 64.05 61.93 1jvm n THR 72 Cb 0.39 -1.92 0.65 0.00 -1.82 0.00 0.00 70.33 67.64 1jvm n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvm h ALA 73 N -0.44 1.00 -0.01 2.41 0.00 0.02 -0.11 119.26 122.13 1jvm h ALA 73 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jvm h ALA 73 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jvm h ALA 73 CO -0.18 0.00 -0.64 0.25 0.00 0.00 0.00 179.25 178.67 1jvm n THR 74 N -2.61 0.00 -1.46 0.00 -2.24 -0.80 -3.92 114.28 103.25 1jvm n THR 74 Ca 0.00 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1jvm n THR 74 Cb 0.20 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1jvm n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvm n THR 75 N -0.56 0.00 0.24 4.28 -2.24 -0.05 -4.80 114.28 111.14 1jvm n THR 75 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1jvm n THR 75 Cb 0.40 -1.61 0.58 0.00 -2.10 0.00 0.00 70.33 67.60 1jvm n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jvm h VAL 76 N 0.00 1.01 -6.89 2.28 2.07 -1.72 -3.46 116.25 109.54 1jvm h VAL 76 Ca -0.33 -0.45 -0.58 0.00 0.82 0.00 0.00 66.70 66.16 1jvm h VAL 76 Cb 1.12 1.25 -0.33 0.00 -1.52 0.00 0.00 31.29 31.81 1jvm h VAL 76 CO 0.49 0.12 -0.85 0.61 0.02 0.00 0.00 177.57 177.96 1jvm n GLY 77 N -1.11 -0.33 0.64 2.17 0.00 -0.68 -4.76 105.19 101.11 1jvm n GLY 77 Ca -0.03 0.08 0.43 0.00 0.00 0.00 0.00 46.02 46.50 1jvm n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jvm h TYR 78 N -0.93 0.00 -0.73 1.61 0.99 -1.90 -3.44 116.97 112.57 1jvm h TYR 78 Ca -0.56 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.05 1jvm h TYR 78 Cb 1.28 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.00 1jvm h TYR 78 CO 0.63 0.00 -0.14 0.41 -0.00 0.00 0.00 178.16 179.05 1jvm n GLY 79 N -1.84 0.25 0.02 3.88 0.00 -1.26 -4.91 105.19 101.33 1jvm n GLY 79 Ca 0.35 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1jvm n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jvm n ASP 80 N 0.91 0.58 -3.73 1.61 5.75 -1.26 -4.84 116.55 115.57 1jvm n ASP 80 Ca -0.07 -0.22 -0.12 0.00 -0.01 0.00 0.00 54.79 54.37 1jvm n ASP 80 Cb 0.49 0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.82 1jvm n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jvm s LEU 81 N -3.34 0.37 0.13 -2.12 1.43 -1.26 -5.06 118.68 108.84 1jvm s LEU 81 Ca 0.09 0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 53.71 1jvm s LEU 81 Cb 0.16 1.25 0.07 0.00 0.03 0.00 0.00 46.19 47.70 1jvm s LEU 81 CO 0.73 -0.15 0.88 -0.72 0.23 0.00 0.00 176.35 177.32 1jvm s TYR 82 N 0.64 -0.22 0.44 0.29 -0.85 -1.26 -4.99 117.35 111.40 1jvm s TYR 82 Ca -0.04 -0.06 -0.16 0.00 -0.52 0.00 0.00 57.07 56.29 1jvm s TYR 82 Cb -0.05 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 42.82 1jvm s TYR 82 CO -0.04 -0.82 0.89 -1.25 -1.52 0.00 0.00 175.55 172.81 1jvm s PRO 83 N -3.36 4.00 0.00 -3.49 0.04 -1.26 -4.60 135.00 126.33 1jvm s PRO 83 Ca 0.10 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1jvm s PRO 83 Cb -0.02 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1jvm s PRO 83 CO -0.01 -0.08 0.01 0.28 0.04 0.00 0.00 177.00 177.23 1jvm n VAL 84 N -1.05 0.00 -3.58 -0.36 0.31 -1.26 -4.88 118.33 107.51 1jvm n VAL 84 Ca 0.05 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.81 1jvm n VAL 84 Cb 0.54 1.02 -0.06 0.00 -0.91 0.00 0.00 33.84 34.42 1jvm n VAL 84 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jvm s THR 85 N -0.39 5.13 0.61 2.52 -4.23 -1.26 -4.95 115.64 113.06 1jvm s THR 85 Ca 0.00 0.69 0.28 0.00 -1.18 0.00 0.00 61.69 61.48 1jvm s THR 85 Cb 0.00 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.55 1jvm s THR 85 CO 0.00 0.58 1.86 0.17 -0.54 0.00 0.00 174.62 176.68 1jvm h LEU 86 N 4.72 0.00 0.00 4.79 -0.00 -1.96 -1.18 115.31 121.67 1jvm h LEU 86 Ca -0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.25 1jvm h LEU 86 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 1jvm h LEU 86 CO 0.61 0.00 -0.63 -0.50 -0.00 0.00 0.00 178.44 177.92 1jvm h TRP 87 N 0.00 0.00 -0.90 0.17 4.06 -1.92 -3.34 115.95 114.01 1jvm h TRP 87 Ca 0.18 0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.37 1jvm h TRP 87 Cb 1.16 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.27 1jvm h TRP 87 CO 0.00 1.08 0.63 0.78 -3.56 0.00 0.00 178.44 177.36 1jvm h GLY 88 N -1.00 0.36 2.00 1.49 0.00 -1.54 0.77 103.07 105.16 1jvm h GLY 88 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1jvm h GLY 88 CO -0.10 -0.01 0.00 3.21 0.00 0.00 0.00 176.54 179.64 1jvm h ARG 89 N 0.16 0.00 0.05 4.80 3.08 -1.38 -1.83 114.38 119.26 1jvm h ARG 89 Ca 0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.32 1jvm h ARG 89 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1jvm h ARG 89 CO -0.08 0.00 -0.94 0.00 -1.07 0.00 0.00 179.97 177.88 1jvm h VAL 91 N -0.69 0.57 0.00 0.00 2.07 -1.22 -1.67 116.25 115.32 1jvm h VAL 91 Ca -0.22 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jvm h VAL 91 Cb 1.42 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1jvm h VAL 91 CO -0.03 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1jvm n ALA 92 N -2.59 -0.39 -0.28 1.67 0.00 -0.71 -2.05 120.51 116.16 1jvm n ALA 92 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1jvm n ALA 92 Cb 0.88 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.57 1jvm n ALA 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jvm n VAL 93 N -1.99 -0.34 0.22 0.00 0.31 -0.73 0.10 118.33 115.91 1jvm n VAL 93 Ca 0.00 1.81 -0.15 0.00 -0.01 0.00 0.00 64.34 65.98 1jvm n VAL 93 Cb 0.00 -2.64 -0.08 0.00 -0.91 0.00 0.00 33.84 30.21 1jvm n VAL 93 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvm h VAL 94 N 0.00 0.64 -0.27 2.52 2.07 -1.36 -1.59 116.25 118.26 1jvm h VAL 94 Ca 0.50 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 68.05 1jvm h VAL 94 Cb 1.03 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1jvm h VAL 94 CO -0.77 0.01 -0.15 0.58 0.02 0.00 0.00 177.57 177.25 1jvm h VAL 95 N -0.51 0.55 0.02 2.57 2.07 0.13 0.12 116.25 121.20 1jvm h VAL 95 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jvm h VAL 95 Cb 0.39 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jvm h VAL 95 CO 0.08 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.89 1jvm h MET 96 N -0.12 -0.04 -1.13 1.57 2.07 -0.84 -1.31 114.93 115.13 1jvm h MET 96 Ca 0.15 0.00 0.34 0.00 -2.07 0.00 0.00 59.70 58.11 1jvm h MET 96 Cb 0.34 0.01 -0.12 0.00 -1.87 0.00 0.00 31.60 29.97 1jvm h MET 96 CO -0.35 -0.03 0.72 0.28 1.07 0.00 0.00 176.91 178.60 1jvm h VAL 97 N -0.04 0.34 0.70 -2.22 2.07 -1.24 0.16 116.25 116.02 1jvm h VAL 97 Ca -0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1jvm h VAL 97 Cb 0.04 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1jvm h VAL 97 CO -0.00 0.05 -0.50 0.00 0.02 0.00 0.00 177.57 177.14 1jvm h ALA 98 N 1.65 -1.24 0.23 1.67 0.00 -0.47 0.11 119.26 121.22 1jvm h ALA 98 Ca 0.70 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jvm h ALA 98 Cb 1.92 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 1jvm h ALA 98 CO -0.39 -1.22 -0.16 0.78 0.00 0.00 0.00 179.25 178.26 1jvm h GLY 99 N -1.14 -0.39 -0.29 0.00 0.00 0.34 0.37 103.07 101.96 1jvm h GLY 99 Ca -0.09 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.53 1jvm h GLY 99 CO 0.05 -0.16 -0.22 -2.22 0.00 0.00 0.00 176.54 173.99 1jvm h ILE 100 N -0.39 0.31 0.77 2.60 2.04 -0.78 0.16 117.51 122.22 1jvm h ILE 100 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jvm h ILE 100 Cb 0.34 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1jvm h ILE 100 CO 0.01 0.00 -0.42 0.74 0.00 0.00 0.00 178.15 178.48 1jvm h THR 101 N -0.07 0.15 -0.40 -0.27 2.02 -0.44 0.52 112.91 114.42 1jvm h THR 101 Ca 0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.53 1jvm h THR 101 Cb 0.49 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.97 1jvm h THR 101 CO -0.64 0.00 -0.32 0.28 0.37 0.00 0.00 175.52 175.21 1jvm h SER 102 N -1.09 -1.06 -0.25 4.18 0.02 0.47 0.21 113.55 116.02 1jvm h SER 102 Ca -0.10 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1jvm h SER 102 Cb 0.86 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 1jvm h SER 102 CO 0.14 -0.32 0.07 -0.26 -1.14 0.00 0.00 176.83 175.33 1jvm h PHE 103 N -0.25 0.41 -0.79 3.45 -1.00 -0.99 -1.68 116.94 116.09 1jvm h PHE 103 Ca 0.17 -0.04 0.22 0.00 2.81 0.00 0.00 57.97 61.13 1jvm h PHE 103 Cb 0.53 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 1jvm h PHE 103 CO -0.53 0.46 0.56 0.78 -1.61 0.00 0.00 178.31 177.97 1jvm h GLY 104 N 0.24 0.18 0.61 -1.45 0.00 -0.15 0.12 103.07 102.61 1jvm h GLY 104 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1jvm h GLY 104 CO -0.00 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 174.34 1jvm h LEU 105 N 0.08 -0.48 -2.13 3.11 5.85 0.24 -2.37 115.31 119.61 1jvm h LEU 105 Ca 0.38 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1jvm h LEU 105 Cb 1.40 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1jvm h LEU 105 CO -0.04 -0.08 0.24 0.58 -0.34 0.00 0.00 178.44 178.80 1jvm h VAL 106 N -0.97 0.58 -0.14 1.05 2.07 -0.29 0.99 116.25 119.55 1jvm h VAL 106 Ca -0.06 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 1jvm h VAL 106 Cb 0.56 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1jvm h VAL 106 CO 0.10 0.00 -0.53 0.74 0.02 0.00 0.00 177.57 177.89 1jvm h THR 107 N 0.00 1.34 -0.05 2.57 2.02 -0.71 -2.20 112.91 115.87 1jvm h THR 107 Ca 0.13 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1jvm h THR 107 Cb 0.61 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1jvm h THR 107 CO -0.00 0.55 0.01 0.00 0.37 0.00 0.00 175.52 176.44 1jvm h ALA 108 N 1.12 0.07 -0.61 6.16 0.00 0.15 -2.58 119.26 123.57 1jvm h ALA 108 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jvm h ALA 108 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1jvm h ALA 108 CO 0.09 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.46 1jvm h ALA 109 N 0.75 0.78 -0.78 0.00 0.00 -1.10 0.94 119.26 119.85 1jvm h ALA 109 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 109 Cb 0.29 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jvm h ALA 109 CO 0.00 0.19 0.43 -0.07 0.00 0.00 0.00 179.25 179.80 1jvm h LEU 110 N 0.81 0.59 0.13 0.00 3.38 -1.36 -2.08 115.31 116.80 1jvm h LEU 110 Ca 0.23 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1jvm h LEU 110 Cb -0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jvm h LEU 110 CO -0.06 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.75 1jvm h ALA 111 N 1.44 -0.18 -0.09 1.53 0.00 -1.00 -2.92 119.26 118.05 1jvm h ALA 111 Ca 0.38 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jvm h ALA 111 Cb 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jvm h ALA 111 CO -0.25 -0.26 0.32 0.00 0.00 0.00 0.00 179.25 179.06 1jvm h THR 112 N -0.87 0.10 0.21 0.00 1.03 -0.76 0.60 112.91 113.23 1jvm h THR 112 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.07 1jvm h THR 112 Cb 0.54 0.70 0.04 0.00 -1.07 0.00 0.00 68.15 68.35 1jvm h THR 112 CO 0.03 0.00 -1.33 -0.25 -0.01 0.00 0.00 175.52 173.96 1jvm h TRP 113 N 0.00 0.93 -0.34 0.00 7.01 -1.41 -3.14 115.95 119.00 1jvm h TRP 113 Ca 0.04 -0.66 -0.02 0.00 2.11 0.00 0.00 58.89 60.36 1jvm h TRP 113 Cb 0.67 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 1jvm h TRP 113 CO 0.00 1.51 0.11 0.74 -2.79 0.00 0.00 178.44 178.01 1jvm h PHE 114 N 0.09 0.49 -0.01 2.65 0.05 0.38 0.31 116.94 120.90 1jvm h PHE 114 Ca -0.23 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.54 1jvm h PHE 114 Cb 2.04 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 39.84 1jvm h PHE 114 CO 0.14 0.41 0.00 0.28 -0.18 0.00 0.00 178.31 178.95 1jvm n VAL 115 N -4.38 0.01 0.02 -0.55 0.31 -0.78 -2.17 118.33 110.79 1jvm n VAL 115 Ca 0.02 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1jvm n VAL 115 Cb 0.16 -0.34 -0.14 0.00 -0.91 0.00 0.00 33.84 32.61 1jvm n VAL 115 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1jvm h GLY 116 N 5.06 0.11 -2.16 2.92 0.00 -0.33 -3.14 103.07 105.53 1jvm h GLY 116 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jvm h GLY 116 CO 0.00 0.25 0.00 -0.96 0.00 0.00 0.00 176.54 175.83 1jvm n ARG 117 N -3.26 2.58 -0.06 4.80 1.85 -1.12 -3.45 116.66 118.01 1jvm n ARG 117 Ca -0.15 -2.34 -0.02 0.00 -1.00 0.00 0.00 57.85 54.34 1jvm n ARG 117 Cb 1.03 -1.46 -0.15 0.00 -1.05 0.00 0.00 32.46 30.82 1jvm n ARG 117 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1jvm n GLU 118 N 1.29 0.67 -0.26 2.89 0.28 -0.92 -3.92 120.64 120.67 1jvm n GLU 118 Ca 0.19 -0.04 0.12 0.00 -0.16 0.00 0.00 57.16 57.26 1jvm n GLU 118 Cb 0.55 -1.55 0.26 0.00 1.43 0.00 0.00 31.44 32.13 1jvm n GLU 118 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jvm n GLN 119 N -2.61 2.59 -0.18 3.44 1.13 -1.19 -1.31 117.38 119.26 1jvm n GLN 119 Ca -0.21 -2.43 0.06 0.00 -1.94 0.00 0.00 57.00 52.48 1jvm n GLN 119 Cb 0.93 -1.53 0.16 0.00 0.11 0.00 0.00 30.24 29.92 1jvm n GLN 119 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1jvm n GLU 120 N 1.53 2.60 0.00 -1.09 4.71 -1.22 -3.86 120.64 123.30 1jvm n GLU 120 Ca 0.21 -2.02 0.00 0.00 -0.01 0.00 0.00 57.16 55.34 1jvm n GLU 120 Cb 0.61 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1jvm n GLU 120 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1jvm n ARG 121 N 0.66 0.00 0.19 3.49 -4.01 -1.23 -4.82 116.66 110.94 1jvm n ARG 121 Ca 0.12 0.00 0.14 0.00 -1.04 0.00 0.00 57.85 57.08 1jvm n ARG 121 Cb 0.43 -0.44 0.58 0.00 -3.04 0.00 0.00 32.46 30.00 1jvm n ARG 121 CO 0.00 0.00 0.00 0.07 -3.04 0.00 0.00 177.63 174.66 1jvm h ARG 122 N 0.00 0.00 0.00 2.89 0.11 -1.42 -3.51 114.38 112.45 1jvm h ARG 122 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jvm h ARG 122 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1jvm h ARG 122 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48