#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu n SER 2 N 0.00 0.00 -3.31 6.12 3.41 -1.26 -5.12 113.62 113.46 2jpu n SER 2 Ca 0.00 -1.43 -0.20 0.00 -0.26 0.00 0.00 58.87 56.98 2jpu n SER 2 Cb 0.00 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2jpu n SER 2 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2jpu n ILE 3 N 0.00 0.00 -3.53 -1.33 -5.35 -1.26 -5.12 119.36 102.77 2jpu n ILE 3 Ca 0.00 -2.34 -0.29 0.00 -0.27 0.00 0.00 62.75 59.85 2jpu n ILE 3 Cb 0.59 1.09 -0.13 0.00 -1.74 0.00 0.00 39.64 39.45 2jpu n ILE 3 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jpu s SER 4 N -3.29 3.23 0.88 7.28 0.01 -1.26 -5.13 113.70 115.42 2jpu s SER 4 Ca 0.34 -2.05 -0.10 0.00 1.31 0.00 0.00 55.95 55.45 2jpu s SER 4 Cb 0.02 -0.50 0.12 0.00 0.21 0.00 0.00 66.02 65.87 2jpu s SER 4 CO 0.24 -0.33 1.13 0.42 0.41 0.00 0.00 173.24 175.11 2jpu s THR 5 N 1.20 2.41 0.27 1.44 -4.23 -1.26 -4.69 115.64 110.77 2jpu s THR 5 Ca 0.16 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2jpu s THR 5 Cb -0.22 -2.29 0.26 0.00 1.34 0.00 0.00 72.50 71.59 2jpu s THR 5 CO -0.08 -0.17 1.75 0.28 -0.54 0.00 0.00 174.62 175.86 2jpu h SER 6 N -1.69 0.53 -0.09 3.99 0.02 -1.98 -0.02 113.55 114.31 2jpu h SER 6 Ca -0.44 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2jpu h SER 6 Cb 1.26 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2jpu h SER 6 CO 0.45 0.19 -0.10 0.00 -1.14 0.00 0.00 176.83 176.23 2jpu h ALA 7 N 1.59 -0.03 -0.89 3.77 0.00 -1.91 -0.07 119.26 121.73 2jpu h ALA 7 Ca 0.49 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.45 2jpu h ALA 7 Cb 0.75 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2jpu h ALA 7 CO -0.39 -0.56 0.59 0.93 0.00 0.00 0.00 179.25 179.82 2jpu h GLU 8 N -0.12 1.18 0.62 0.00 5.08 -1.57 -0.29 114.58 119.48 2jpu h GLU 8 Ca 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2jpu h GLU 8 Cb 0.22 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2jpu h GLU 8 CO -0.16 0.78 -0.30 0.28 -1.00 0.00 0.00 179.01 178.61 2jpu h VAL 9 N 1.21 0.38 -0.55 3.13 2.07 -0.33 -0.10 116.25 122.07 2jpu h VAL 9 Ca 0.33 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 2jpu h VAL 9 Cb -0.14 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2jpu h VAL 9 CO -0.07 0.01 0.17 1.88 0.02 0.00 0.00 177.57 179.58 2jpu h TYR 10 N -0.87 0.84 -0.69 1.57 0.05 -0.98 -2.57 116.97 114.31 2jpu h TYR 10 Ca -0.09 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.56 2jpu h TYR 10 Cb 0.65 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 2jpu h TYR 10 CO -0.03 0.68 0.14 -0.92 -1.05 0.00 0.00 178.16 176.99 2jpu h TYR 11 N 0.80 1.19 -0.04 4.88 3.20 -0.89 -1.98 116.97 124.13 2jpu h TYR 11 Ca 0.18 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2jpu h TYR 11 Cb 0.24 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2jpu h TYR 11 CO 0.01 0.98 -0.25 1.49 -1.64 0.00 0.00 178.16 178.75 2jpu h GLU 12 N 1.06 0.07 -0.41 1.82 4.81 -0.63 0.42 114.58 121.71 2jpu h GLU 12 Ca 0.21 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 2jpu h GLU 12 Cb 0.41 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2jpu h GLU 12 CO 0.01 0.33 -0.25 0.93 -0.73 0.00 0.00 179.01 179.29 2jpu h GLU 13 N 0.07 0.86 -0.38 1.92 5.08 -1.06 0.21 114.58 121.28 2jpu h GLU 13 Ca 0.01 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2jpu h GLU 13 Cb 0.49 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2jpu h GLU 13 CO 0.03 1.02 0.15 0.00 -1.00 0.00 0.00 179.01 179.21 2jpu h ALA 14 N 0.97 0.49 -0.07 3.43 0.00 -0.56 -1.40 119.26 122.11 2jpu h ALA 14 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2jpu h ALA 14 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jpu h ALA 14 CO 0.07 0.09 -0.30 0.93 0.00 0.00 0.00 179.25 180.04 2jpu h GLU 15 N 0.46 0.12 0.31 0.00 4.39 -0.77 0.26 114.58 119.35 2jpu h GLU 15 Ca 0.13 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2jpu h GLU 15 Cb 0.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2jpu h GLU 15 CO -0.01 0.41 -0.15 1.49 -1.16 0.00 0.00 179.01 179.59 2jpu h GLU 16 N 0.11 -0.40 -0.11 2.33 4.22 -0.17 0.18 114.58 120.74 2jpu h GLU 16 Ca 0.02 0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.42 2jpu h GLU 16 Cb 0.59 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2jpu h GLU 16 CO 0.04 -0.25 -0.22 0.74 -2.18 0.00 0.00 179.01 177.15 2jpu h PHE 17 N -0.45 0.21 -0.12 0.92 0.04 -0.91 -1.24 116.94 115.39 2jpu h PHE 17 Ca -0.04 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 2jpu h PHE 17 Cb 0.34 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2jpu h PHE 17 CO -0.05 0.40 -0.31 1.25 -0.60 0.00 0.00 178.31 179.01 2jpu h LEU 18 N 0.18 0.22 -0.40 1.54 5.85 -0.23 0.81 115.31 123.28 2jpu h LEU 18 Ca 0.03 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jpu h LEU 18 Cb 0.49 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jpu h LEU 18 CO 0.03 0.53 -0.10 0.28 -0.34 0.00 0.00 178.44 178.84 2jpu h SER 19 N 0.20 0.00 0.09 1.25 0.02 0.27 -3.18 113.55 112.19 2jpu h SER 19 Ca 0.03 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 2jpu h SER 19 Cb 0.66 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.21 2jpu h SER 19 CO 0.05 0.10 -0.63 0.50 -1.14 0.00 0.00 176.83 175.71 2jpu h LYS 20 N 0.00 0.27 0.00 3.45 1.63 -0.47 -3.49 116.57 117.96 2jpu h LYS 20 Ca -0.00 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2jpu h LYS 20 Cb 0.94 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2jpu h LYS 20 CO 0.01 1.17 0.00 0.41 -3.45 0.00 0.00 179.45 177.59 2jpu n GLY 21 N 1.52 1.70 3.36 5.01 0.00 0.20 -5.10 105.19 111.88 2jpu n GLY 21 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2jpu n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jpu s ASP 22 N -1.73 4.65 0.01 1.61 -1.08 -0.73 -4.98 116.67 114.42 2jpu s ASP 22 Ca 0.00 -0.35 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 2jpu s ASP 22 Cb 0.00 -1.81 -0.23 0.00 -1.46 0.00 0.00 42.92 39.42 2jpu s ASP 22 CO 0.00 -0.04 0.86 -0.07 0.52 0.00 0.00 175.17 176.45 2jpu h LEU 23 N 8.16 0.06 0.08 -1.34 3.38 -1.96 -3.29 115.31 120.41 2jpu h LEU 23 Ca -0.40 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jpu h LEU 23 Cb 1.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2jpu h LEU 23 CO 0.59 1.09 -0.04 0.58 0.09 0.00 0.00 178.44 180.75 2jpu h VAL 24 N 0.01 1.16 -0.03 1.22 2.07 -1.93 -1.46 116.25 117.29 2jpu h VAL 24 Ca -0.20 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.18 2jpu h VAL 24 Cb 1.94 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2jpu h VAL 24 CO 0.11 0.25 -0.54 1.56 0.02 0.00 0.00 177.57 178.96 2jpu h GLN 25 N -0.59 0.09 -0.70 1.57 4.20 -1.99 -2.77 115.11 114.92 2jpu h GLN 25 Ca -0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2jpu h GLN 25 Cb 0.49 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2jpu h GLN 25 CO 0.02 0.61 0.21 0.00 -0.67 0.00 0.00 178.83 178.99 2jpu h ALA 26 N 1.38 0.92 -0.35 3.87 0.00 -1.61 -2.22 119.26 121.25 2jpu h ALA 26 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jpu h ALA 26 Cb 0.98 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2jpu h ALA 26 CO 0.08 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.02 2jpu h GLU 28 N 0.22 0.84 -0.12 0.00 4.39 -1.49 -1.07 114.58 117.35 2jpu h GLU 28 Ca 0.17 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jpu h GLU 28 Cb 0.17 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2jpu h GLU 28 CO -0.20 0.61 0.07 0.87 -1.16 0.00 0.00 179.01 179.20 2jpu h LYS 29 N 0.83 0.16 0.00 2.33 1.79 -0.71 0.22 116.57 121.19 2jpu h LYS 29 Ca 0.22 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2jpu h LYS 29 Cb -0.00 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 2jpu h LYS 29 CO -0.04 0.17 -0.17 0.10 -1.08 0.00 0.00 179.45 178.42 2jpu h TYR 30 N 0.11 0.00 -0.29 -1.35 -0.00 -1.22 -2.62 116.97 111.60 2jpu h TYR 30 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.63 2jpu h TYR 30 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.77 2jpu h TYR 30 CO -0.05 0.17 -0.40 -0.92 -0.00 0.00 0.00 178.16 176.96 2jpu h TYR 31 N 0.00 0.84 -0.88 0.10 3.20 -0.66 -1.95 116.97 117.62 2jpu h TYR 31 Ca -0.00 -0.25 0.08 0.00 3.14 0.00 0.00 58.73 61.71 2jpu h TYR 31 Cb 0.94 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 2jpu h TYR 31 CO 0.00 0.99 0.54 0.87 -1.64 0.00 0.00 178.16 178.91 2jpu h LYS 32 N 0.57 0.90 -0.26 1.82 1.79 -0.22 -0.68 116.57 120.50 2jpu h LYS 32 Ca 0.05 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 2jpu h LYS 32 Cb 0.94 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2jpu h LYS 32 CO 0.09 0.59 -0.15 0.00 -1.08 0.00 0.00 179.45 178.90 2jpu h ALA 33 N 1.45 1.26 -0.29 3.86 0.00 -1.28 -0.95 119.26 123.31 2jpu h ALA 33 Ca 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jpu h ALA 33 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jpu h ALA 33 CO -0.22 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.54 2jpu h ALA 34 N 1.44 0.39 -0.45 0.00 0.00 -0.39 0.66 119.26 120.90 2jpu h ALA 34 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jpu h ALA 34 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jpu h ALA 34 CO 0.03 0.11 -0.07 0.93 0.00 0.00 0.00 179.25 180.25 2jpu h GLU 35 N 0.30 0.79 0.05 0.00 5.08 -1.05 -2.19 114.58 117.57 2jpu h GLU 35 Ca 0.09 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2jpu h GLU 35 Cb 0.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2jpu h GLU 35 CO 0.01 0.84 -0.11 0.93 -1.00 0.00 0.00 179.01 179.68 2jpu h GLU 36 N 0.72 -0.21 -0.51 2.33 4.39 -0.95 -2.87 114.58 117.49 2jpu h GLU 36 Ca 0.13 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.88 2jpu h GLU 36 Cb 0.54 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 2jpu h GLU 36 CO 0.03 -0.14 0.27 0.00 -1.16 0.00 0.00 179.01 178.02 2jpu h ALA 37 N 0.71 0.65 -0.12 3.43 0.00 -0.57 0.07 119.26 123.43 2jpu h ALA 37 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jpu h ALA 37 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jpu h ALA 37 CO -0.07 -0.06 -0.03 0.82 0.00 0.00 0.00 179.25 179.90 2jpu h ILE 38 N 0.53 0.87 -0.04 0.00 1.08 -1.33 0.39 117.51 119.00 2jpu h ILE 38 Ca 0.22 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.57 2jpu h ILE 38 Cb 0.10 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2jpu h ILE 38 CO -0.14 0.00 -0.53 0.07 -0.69 0.00 0.00 178.15 176.86 2jpu h LYS 39 N -0.01 0.12 -0.68 2.37 2.10 -1.27 -1.29 116.57 117.92 2jpu h LYS 39 Ca 0.06 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2jpu h LYS 39 Cb 0.09 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 2jpu h LYS 39 CO -0.13 0.62 0.40 -0.07 -2.00 0.00 0.00 179.45 178.27 2jpu h LEU 40 N 0.09 0.82 -0.66 7.07 3.38 -0.41 -0.59 115.31 125.01 2jpu h LEU 40 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2jpu h LEU 40 Cb 0.97 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jpu h LEU 40 CO 0.08 0.65 0.29 -0.07 0.09 0.00 0.00 178.44 179.48 2jpu h LEU 41 N 0.92 0.89 -1.64 1.67 4.07 -0.50 -1.58 115.31 119.13 2jpu h LEU 41 Ca 0.24 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 58.05 2jpu h LEU 41 Cb -0.01 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 2jpu h LEU 41 CO -0.04 0.80 0.25 0.58 -1.08 0.00 0.00 178.44 178.94 2jpu h VAL 42 N 0.93 1.09 -0.01 1.22 2.07 -0.70 0.23 116.25 121.08 2jpu h VAL 42 Ca 0.22 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jpu h VAL 42 Cb 0.16 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2jpu h VAL 42 CO -0.02 0.09 -0.04 0.40 0.02 0.00 0.00 177.57 178.02 2jpu h ILE 43 N 0.49 1.51 -0.16 4.57 2.04 -0.60 -0.55 117.51 124.81 2jpu h ILE 43 Ca 0.14 -1.54 -0.19 0.00 1.00 0.00 0.00 64.86 64.26 2jpu h ILE 43 Cb -0.05 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2jpu h ILE 43 CO -0.03 0.41 -0.68 1.05 0.00 0.00 0.00 178.15 178.90 2jpu h GLU 44 N -0.59 0.64 0.00 2.37 4.11 -1.02 -2.15 114.58 117.93 2jpu h GLU 44 Ca -0.00 -0.48 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 2jpu h GLU 44 Cb 0.68 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jpu h GLU 44 CO 0.01 1.10 -0.14 -0.91 0.07 0.00 0.00 179.01 179.14 2jpu h ASN 45 N 0.46 0.00 -4.68 3.06 -0.26 -0.67 -3.48 115.58 110.01 2jpu h ASN 45 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2jpu h ASN 45 Cb 1.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 2jpu h ASN 45 CO 0.13 0.14 -0.36 -3.20 -1.06 0.00 0.00 177.43 173.08 2jpu n ASN 46 N -3.29 -6.40 -4.37 5.81 5.15 -0.42 -4.97 115.26 106.78 2jpu n ASN 46 Ca 0.00 0.39 -0.46 0.00 -0.60 0.00 0.00 54.58 53.91 2jpu n ASN 46 Cb 0.38 -4.25 -0.02 0.00 -0.53 0.00 0.00 39.78 35.36 2jpu n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jpu s LEU 47 N -2.21 6.26 0.26 1.20 1.43 -0.35 -4.91 118.68 120.36 2jpu s LEU 47 Ca 0.18 -2.50 -0.04 0.00 -1.03 0.00 0.00 54.13 50.74 2jpu s LEU 47 Cb -0.05 -2.27 0.33 0.00 0.03 0.00 0.00 46.19 44.24 2jpu s LEU 47 CO 0.57 -0.72 1.90 0.11 0.23 0.00 0.00 176.35 178.44 2jpu h LYS 48 N 8.09 1.20 0.00 1.70 1.79 -1.93 -0.15 116.57 127.28 2jpu h LYS 48 Ca 0.12 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2jpu h LYS 48 Cb 1.04 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2jpu h LYS 48 CO 0.86 0.80 -0.00 0.93 -1.08 0.00 0.00 179.45 180.95 2jpu h GLU 49 N 1.24 0.00 0.00 3.15 4.39 -1.99 0.07 114.58 121.44 2jpu h GLU 49 Ca 0.40 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.70 2jpu h GLU 49 Cb 0.02 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 2jpu h GLU 49 CO -0.13 0.00 -2.44 -0.89 -1.16 0.00 0.00 179.01 174.39 2jpu n ILE 50 N -3.10 1.44 0.20 3.13 2.08 -0.32 -4.41 119.36 118.38 2jpu n ILE 50 Ca -0.03 -0.49 0.09 0.00 0.56 0.00 0.00 62.75 62.89 2jpu n ILE 50 Cb 0.10 -1.54 0.17 0.00 -0.75 0.00 0.00 39.64 37.62 2jpu n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jpu h THR 51 N -0.31 0.31 0.00 1.39 1.03 -0.88 -2.85 112.91 111.60 2jpu h THR 51 Ca -0.59 -1.38 -0.01 0.00 -0.01 0.00 0.00 66.41 64.42 2jpu h THR 51 Cb 1.77 2.10 -0.00 0.00 -1.07 0.00 0.00 68.15 70.95 2jpu h THR 51 CO -0.19 0.17 -0.03 -0.55 -0.01 0.00 0.00 175.52 174.91 2jpu h ASN 52 N 0.00 0.00 0.49 0.00 -1.07 -1.21 -2.76 115.58 111.03 2jpu h ASN 52 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 2jpu h ASN 52 Cb 1.08 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 2jpu h ASN 52 CO 0.02 0.03 -0.37 0.78 0.07 0.00 0.00 177.43 177.96 2jpu h ASN 53 N 0.00 0.00 0.00 6.14 2.35 -1.71 -3.02 115.58 119.34 2jpu h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jpu h ASN 53 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2jpu h ASN 53 CO 0.00 0.37 0.00 0.52 -1.65 0.00 0.00 177.43 176.67 2jpu n VAL 54 N -3.90 0.00 0.19 2.81 0.31 -0.98 -2.76 118.33 114.00 2jpu n VAL 54 Ca -0.01 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 2jpu n VAL 54 Cb 0.43 -0.13 0.37 0.00 -0.91 0.00 0.00 33.84 33.60 2jpu n VAL 54 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2jpu h LYS 55 N 0.00 0.00 0.00 5.55 1.63 -1.70 -3.46 116.57 118.59 2jpu h LYS 55 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jpu h LYS 55 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2jpu h LYS 55 CO 0.00 0.35 0.00 -1.71 -3.45 0.00 0.00 179.45 174.64 2jpu n ASN 56 N -4.10 0.00 -4.48 4.20 2.85 -1.14 -5.07 115.26 107.52 2jpu n ASN 56 Ca -0.02 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.02 2jpu n ASN 56 Cb 0.39 0.10 -0.03 0.00 1.24 0.00 0.00 39.78 41.48 2jpu n ASN 56 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jpu s LYS 57 N -0.36 3.22 0.00 1.20 -0.14 -1.22 -4.26 119.74 118.18 2jpu s LYS 57 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 2jpu s LYS 57 Cb 0.00 -4.38 0.00 0.00 -1.68 0.00 0.00 37.83 31.77 2jpu s LYS 57 CO 0.00 -1.89 0.00 0.41 -0.76 0.00 0.00 175.35 173.11 2jpu n GLY 58 N 5.46 -0.03 3.96 -3.33 0.00 -1.11 -4.66 105.19 105.47 2jpu n GLY 58 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2jpu n GLY 58 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jpu s ARG 59 N 0.00 3.01 0.00 1.61 3.52 -1.26 -2.31 118.95 123.52 2jpu s ARG 59 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2jpu s ARG 59 Cb 0.00 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2jpu s ARG 59 CO 0.00 -0.27 1.27 0.91 -0.81 0.00 0.00 175.30 176.40 2jpu n TRP 60 N -2.04 0.00 0.24 5.12 7.02 -1.26 -4.07 117.44 122.45 2jpu n TRP 60 Ca 0.02 -0.64 -0.10 0.00 -1.02 0.00 0.00 57.50 55.76 2jpu n TRP 60 Cb 0.58 -0.37 -0.05 0.00 -2.42 0.00 0.00 31.31 29.05 2jpu n TRP 60 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2jpu h LYS 61 N 1.44 -0.64 0.00 -0.99 1.57 -1.98 -3.46 116.57 112.51 2jpu h LYS 61 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jpu h LYS 61 Cb 0.74 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2jpu h LYS 61 CO 0.00 -0.42 0.00 -1.13 -0.57 0.00 0.00 179.45 177.33 2jpu n SER 62 N -5.01 0.00 -0.08 0.86 3.41 -1.26 -4.94 113.62 106.59 2jpu n SER 62 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.46 2jpu n SER 62 Cb 0.26 0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2jpu n SER 62 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jpu h GLU 63 N 0.00 0.03 0.00 4.33 4.11 -1.92 -1.64 114.58 119.49 2jpu h GLU 63 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2jpu h GLU 63 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jpu h GLU 63 CO 0.00 0.02 -0.19 -0.97 0.07 0.00 0.00 179.01 177.94 2jpu h ASN 64 N 0.04 0.00 0.09 3.06 -1.24 -1.92 -2.42 115.58 113.18 2jpu h ASN 64 Ca 0.15 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 2jpu h ASN 64 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2jpu h ASN 64 CO -0.29 0.19 -0.04 -0.07 -1.29 0.00 0.00 177.43 175.93 2jpu h LEU 65 N 0.00 -0.10 -0.51 0.34 3.38 -1.60 -2.04 115.31 114.78 2jpu h LEU 65 Ca -0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 2jpu h LEU 65 Cb 0.64 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2jpu h LEU 65 CO 0.03 0.36 -0.49 2.19 0.09 0.00 0.00 178.44 180.61 2jpu h PHE 66 N -0.58 0.00 0.09 1.13 -5.15 -1.49 -2.27 116.94 108.67 2jpu h PHE 66 Ca -0.01 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 2jpu h PHE 66 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.65 2jpu h PHE 66 CO 0.07 0.49 -0.04 -0.22 -2.00 0.00 0.00 178.31 176.61 2jpu h LYS 67 N 0.00 -0.12 -0.19 6.09 3.11 -1.42 -2.16 116.57 121.88 2jpu h LYS 67 Ca -0.00 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 2jpu h LYS 67 Cb 1.16 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2jpu h LYS 67 CO 0.06 -0.05 -0.27 0.00 -2.81 0.00 0.00 179.45 176.38 2jpu h ALA 68 N 0.76 0.29 -0.11 5.00 0.00 -1.34 -3.16 119.26 120.70 2jpu h ALA 68 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jpu h ALA 68 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jpu h ALA 68 CO 0.02 0.28 -0.16 0.66 0.00 0.00 0.00 179.25 180.06 2jpu h SER 69 N 0.17 0.16 -0.37 0.00 4.64 -1.41 -1.23 113.55 115.51 2jpu h SER 69 Ca 0.02 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2jpu h SER 69 Cb 0.84 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 2jpu h SER 69 CO 0.06 0.34 0.11 0.50 -0.87 0.00 0.00 176.83 176.97 2jpu h LYS 70 N 0.16 0.57 -0.28 4.77 3.64 -1.40 -2.71 116.57 121.33 2jpu h LYS 70 Ca 0.03 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2jpu h LYS 70 Cb 0.38 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2jpu h LYS 70 CO 0.02 0.59 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.68 2jpu h LEU 71 N 0.45 0.42 0.00 5.20 3.38 -1.35 -2.64 115.31 120.77 2jpu h LEU 71 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jpu h LEU 71 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jpu h LEU 71 CO -0.00 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.22 2jpu n LEU 72 N -4.27 0.00 0.05 1.67 4.77 -0.53 -2.70 117.00 115.98 2jpu n LEU 72 Ca 0.01 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.22 2jpu n LEU 72 Cb 0.26 -0.20 0.39 0.00 -2.33 0.00 0.00 43.42 41.53 2jpu n LEU 72 CO 0.39 -0.12 1.02 -0.09 -1.33 0.00 0.00 177.39 177.25 2jpu h ARG 73 N 0.00 0.43 -0.16 3.23 1.12 -1.48 0.15 114.38 117.66 2jpu h ARG 73 Ca 0.00 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 2jpu h ARG 73 Cb 0.09 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 2jpu h ARG 73 CO 0.00 0.40 -0.27 0.77 -3.11 0.00 0.00 179.97 177.76 2jpu h SER 74 N 0.42 0.29 -0.00 -3.80 0.02 -1.76 -2.80 113.55 105.93 2jpu h SER 74 Ca 0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2jpu h SER 74 Cb 0.17 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jpu h SER 74 CO -0.00 0.57 -0.02 0.78 -1.14 0.00 0.00 176.83 177.01 2jpu h ASN 75 N 0.26 0.02 -2.75 3.07 4.21 -1.44 -3.45 115.58 115.51 2jpu h ASN 75 Ca 0.04 -0.75 -0.06 0.00 1.21 0.00 0.00 56.30 56.74 2jpu h ASN 75 Cb 0.63 -0.01 -0.25 0.00 -1.12 0.00 0.00 38.32 37.57 2jpu h ASN 75 CO 0.05 0.77 -0.25 0.21 -1.29 0.00 0.00 177.43 176.92 2jpu s ASN 76 N -6.00 -0.59 0.48 5.81 3.84 0.40 -5.05 114.94 113.84 2jpu s ASN 76 Ca -0.17 1.14 0.26 0.00 0.21 0.00 0.00 52.86 54.29 2jpu s ASN 76 Cb -0.01 1.31 1.18 0.00 -0.55 0.00 0.00 41.25 43.19 2jpu s ASN 76 CO 0.69 -0.22 1.95 0.00 -2.79 0.00 0.00 177.10 176.73 2jpu h THR 77 N 5.75 0.57 0.00 -5.21 1.03 -1.73 -2.72 112.91 110.61 2jpu h THR 77 Ca -0.25 -0.85 -0.08 0.00 -0.01 0.00 0.00 66.41 65.22 2jpu h THR 77 Cb 1.15 1.56 -0.01 0.00 -1.07 0.00 0.00 68.15 69.78 2jpu h THR 77 CO 0.18 0.18 -0.40 -0.33 -0.01 0.00 0.00 175.52 175.14 2jpu h GLU 78 N 0.00 0.00 0.53 0.00 5.08 -1.92 -3.32 114.58 114.96 2jpu h GLU 78 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jpu h GLU 78 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jpu h GLU 78 CO 0.02 0.40 -0.47 0.82 -1.00 0.00 0.00 179.01 178.79 2jpu h ILE 79 N 0.00 0.07 -0.09 3.13 2.04 -1.80 0.26 117.51 121.13 2jpu h ILE 79 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jpu h ILE 79 Cb 0.86 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2jpu h ILE 79 CO 0.05 0.00 -0.08 1.55 0.00 0.00 0.00 178.15 179.67 2jpu h PRO 80 N -0.99 0.13 -0.13 2.37 0.13 -1.68 -0.34 132.00 131.49 2jpu h PRO 80 Ca -0.06 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 2jpu h PRO 80 Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2jpu h PRO 80 CO -0.03 0.23 -0.32 0.82 -0.23 0.00 0.00 178.00 178.47 2jpu h ILE 81 N 0.13 1.37 -0.27 -3.56 2.04 -1.54 -0.76 117.51 114.92 2jpu h ILE 81 Ca 0.03 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.17 2jpu h ILE 81 Cb 0.24 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2jpu h ILE 81 CO 0.01 0.48 -0.33 -0.07 0.00 0.00 0.00 178.15 178.24 2jpu h LEU 82 N 0.05 0.61 -1.27 1.44 3.38 -0.25 -2.25 115.31 117.02 2jpu h LEU 82 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2jpu h LEU 82 Cb 0.93 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2jpu h LEU 82 CO 0.07 0.90 -0.04 -0.25 0.09 0.00 0.00 178.44 179.21 2jpu h TRP 83 N 0.50 0.46 -0.87 1.13 2.91 -1.03 -2.74 115.95 116.32 2jpu h TRP 83 Ca 0.06 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 2jpu h TRP 83 Cb 0.81 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 29.29 2jpu h TRP 83 CO 0.03 0.49 0.48 -0.22 -1.03 0.00 0.00 178.44 178.20 2jpu h LYS 84 N 0.42 1.21 -0.13 2.65 3.64 -0.52 0.70 116.57 124.54 2jpu h LYS 84 Ca 0.09 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jpu h LYS 84 Cb 0.35 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2jpu h LYS 84 CO 0.01 0.88 0.08 0.77 -2.27 0.00 0.00 179.45 178.93 2jpu h SER 85 N 1.21 0.15 -0.46 4.20 0.02 -1.29 -1.67 113.55 115.71 2jpu h SER 85 Ca 0.31 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 2jpu h SER 85 Cb 0.02 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jpu h SER 85 CO -0.05 0.13 0.13 0.00 -1.14 0.00 0.00 176.83 175.89 2jpu h ALA 86 N 1.03 0.61 -0.27 3.77 0.00 -1.14 -2.44 119.26 120.82 2jpu h ALA 86 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jpu h ALA 86 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jpu h ALA 86 CO -0.01 0.28 0.19 2.35 0.00 0.00 0.00 179.25 182.06 2jpu h TRP 87 N 0.62 0.05 -0.45 0.00 2.91 0.54 0.85 115.95 120.48 2jpu h TRP 87 Ca 0.15 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 2jpu h TRP 87 Cb 0.29 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 2jpu h TRP 87 CO 0.02 0.03 0.26 1.15 -1.03 0.00 0.00 178.44 178.87 2jpu h THR 88 N 0.05 1.13 0.00 2.65 2.02 -0.79 -0.39 112.91 117.58 2jpu h THR 88 Ca 0.12 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 2jpu h THR 88 Cb 0.43 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jpu h THR 88 CO -0.01 0.14 -0.43 -0.07 0.37 0.00 0.00 175.52 175.52 2jpu h LEU 89 N 0.61 0.00 0.10 2.58 3.38 -0.85 0.17 115.31 121.30 2jpu h LEU 89 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2jpu h LEU 89 Cb -0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jpu h LEU 89 CO -0.03 0.43 -0.63 -0.74 0.09 0.00 0.00 178.44 177.56 2jpu h HIS 90 N 0.00 0.38 0.11 1.13 2.76 -1.16 -2.63 115.15 115.74 2jpu h HIS 90 Ca -0.00 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 57.88 2jpu h HIS 90 Cb 0.83 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2jpu h HIS 90 CO 0.00 1.24 -0.05 0.28 -1.30 0.00 0.00 177.93 178.10 2jpu h VAL 91 N -0.55 1.02 -0.74 5.26 2.07 -1.10 -3.36 116.25 118.85 2jpu h VAL 91 Ca -0.12 -1.32 -0.33 0.00 0.82 0.00 0.00 66.70 65.75 2jpu h VAL 91 Cb 1.47 1.75 -0.20 0.00 -1.52 0.00 0.00 31.29 32.79 2jpu h VAL 91 CO 0.10 0.28 0.34 -0.62 0.02 0.00 0.00 177.57 177.69 2jpu n GLU 92 N -4.86 2.56 0.00 1.57 1.02 0.59 -4.59 120.64 116.93 2jpu n GLU 92 Ca -0.08 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 2jpu n GLU 92 Cb 0.28 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jpu n GLY 93 N -0.86 1.79 2.72 0.62 0.00 -0.99 -4.44 105.19 104.03 2jpu n GLY 93 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 2jpu n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jpu n PHE 94 N -0.43 -0.02 -0.82 1.61 7.35 -1.26 -1.12 117.46 122.77 2jpu n PHE 94 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jpu n PHE 94 Cb 0.00 -2.79 0.00 0.00 0.35 0.00 0.00 39.48 37.04 2jpu n PHE 94 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2jpu n HIS 95 N -2.16 0.00 -0.05 -5.13 -0.00 -1.26 -4.81 115.22 101.81 2jpu n HIS 95 Ca -0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.38 2jpu n HIS 95 Cb 0.59 -1.11 -0.13 0.00 -0.00 0.00 0.00 29.99 29.34 2jpu n HIS 95 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2jpu n GLU 96 N -1.30 0.68 -2.57 1.57 -0.58 -0.27 -4.68 120.64 113.49 2jpu n GLU 96 Ca 0.00 0.34 -0.41 0.00 -0.42 0.00 0.00 57.16 56.67 2jpu n GLU 96 Cb 0.14 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jpu s LEU 97 N -7.27 3.50 -1.33 -4.62 2.01 -1.08 -4.86 118.68 105.03 2jpu s LEU 97 Ca -0.27 -1.38 -0.09 0.00 0.01 0.00 0.00 54.13 52.40 2jpu s LEU 97 Cb 0.07 -2.57 0.13 0.00 0.01 0.00 0.00 46.19 43.84 2jpu s LEU 97 CO 0.68 -1.53 2.08 -1.20 1.01 0.00 0.00 176.35 177.39 2jpu n SER 98 N 8.88 5.72 -4.50 2.29 7.64 -1.26 -4.99 113.62 127.41 2jpu n SER 98 Ca 0.31 -3.06 -0.44 0.00 1.01 0.00 0.00 58.87 56.69 2jpu n SER 98 Cb 0.51 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpu n LEU 99 N 3.68 0.53 -4.73 -3.43 4.77 -1.26 -4.95 117.00 111.61 2jpu n LEU 99 Ca 0.48 1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 57.21 2jpu n LEU 99 Cb 0.34 -1.16 0.12 0.00 -2.33 0.00 0.00 43.42 40.39 2jpu n LEU 99 CO 0.81 -2.29 0.69 0.20 -1.33 0.00 0.00 177.39 175.46 2jpu s ASN 100 N -0.80 3.88 0.25 -1.43 0.01 -1.26 -4.75 114.94 110.83 2jpu s ASN 100 Ca 0.62 1.91 -0.06 0.00 -0.71 0.00 0.00 52.86 54.61 2jpu s ASN 100 Cb -0.70 -2.51 0.26 0.00 0.41 0.00 0.00 41.25 38.71 2jpu s ASN 100 CO 0.58 -2.45 1.90 -0.08 -1.51 0.00 0.00 177.10 175.55 2jpu h GLU 101 N -1.41 1.27 -0.78 -0.60 4.22 -1.98 0.12 114.58 115.41 2jpu h GLU 101 Ca -0.44 -0.11 0.02 0.00 0.08 0.00 0.00 59.36 58.91 2jpu h GLU 101 Cb 1.25 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2jpu h GLU 101 CO 0.49 0.88 0.51 -0.22 -2.18 0.00 0.00 179.01 178.48 2jpu h LYS 102 N 1.29 0.98 0.00 1.92 3.64 -2.00 -1.17 116.57 121.23 2jpu h LYS 102 Ca 0.34 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2jpu h LYS 102 Cb -0.07 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2jpu h LYS 102 CO -0.06 0.65 -0.52 1.49 -2.27 0.00 0.00 179.45 178.74 2jpu h GLU 103 N 1.01 0.00 -0.45 1.90 4.81 -1.57 -2.25 114.58 118.03 2jpu h GLU 103 Ca 0.30 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2jpu h GLU 103 Cb -0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2jpu h GLU 103 CO -0.09 0.52 0.12 0.28 -0.73 0.00 0.00 179.01 179.10 2jpu h VAL 104 N 0.00 1.20 -0.63 0.32 2.07 0.07 -2.17 116.25 117.11 2jpu h VAL 104 Ca -0.01 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2jpu h VAL 104 Cb 1.00 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2jpu h VAL 104 CO 0.07 0.25 0.41 0.11 0.02 0.00 0.00 177.57 178.44 2jpu h LYS 105 N 0.66 0.64 0.20 1.57 1.57 -0.62 0.73 116.57 121.32 2jpu h LYS 105 Ca 0.15 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2jpu h LYS 105 Cb 0.24 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2jpu h LYS 105 CO -0.00 0.42 -0.40 0.87 -0.57 0.00 0.00 179.45 179.77 2jpu h LYS 106 N 0.66 -0.66 -0.28 3.15 1.57 -1.36 0.24 116.57 119.88 2jpu h LYS 106 Ca 0.26 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2jpu h LYS 106 Cb 0.22 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jpu h LYS 106 CO -0.08 -0.44 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.09 2jpu h LEU 107 N -0.69 0.51 -0.96 2.94 -0.00 -1.52 -1.34 115.31 114.26 2jpu h LEU 107 Ca 0.01 -0.16 0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2jpu h LEU 107 Cb 0.68 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2jpu h LEU 107 CO -0.18 0.72 0.62 0.50 -0.00 0.00 0.00 178.44 180.09 2jpu h LYS 108 N 0.46 1.11 -0.03 1.13 3.64 -0.24 0.21 116.57 122.85 2jpu h LYS 108 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jpu h LYS 108 Cb 0.61 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2jpu h LYS 108 CO 0.04 0.73 -0.04 0.93 -2.27 0.00 0.00 179.45 178.85 2jpu h GLU 109 N 1.14 0.07 -0.24 1.90 5.08 -0.05 -1.66 114.58 120.82 2jpu h GLU 109 Ca 0.41 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2jpu h GLU 109 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2jpu h GLU 109 CO -0.16 0.57 0.15 -0.44 -1.00 0.00 0.00 179.01 178.13 2jpu h ASP 110 N -0.42 0.24 -0.34 1.42 5.19 -0.92 -0.05 116.42 121.54 2jpu h ASP 110 Ca 0.00 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 2jpu h ASP 110 Cb 0.57 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 2jpu h ASP 110 CO 0.01 0.18 -0.05 0.58 -3.12 0.00 0.00 179.24 176.84 2jpu h VAL 111 N 0.30 1.24 -0.64 -1.35 2.07 -0.69 -2.44 116.25 114.74 2jpu h VAL 111 Ca 0.09 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2jpu h VAL 111 Cb -0.01 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2jpu h VAL 111 CO -0.04 0.36 0.31 -0.09 0.02 0.00 0.00 177.57 178.13 2jpu h ARG 112 N 0.68 0.91 -0.48 1.57 2.43 -0.59 0.03 114.38 118.93 2jpu h ARG 112 Ca 0.13 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2jpu h ARG 112 Cb 0.49 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2jpu h ARG 112 CO 0.03 0.71 0.25 0.87 -1.51 0.00 0.00 179.97 180.32 2jpu h LYS 113 N 0.91 0.67 -0.58 0.20 1.57 -0.58 0.37 116.57 119.13 2jpu h LYS 113 Ca 0.22 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2jpu h LYS 113 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2jpu h LYS 113 CO -0.03 0.54 0.31 -0.07 -0.57 0.00 0.00 179.45 179.63 2jpu h LEU 114 N 0.63 0.73 0.22 2.94 4.07 -0.91 -0.56 115.31 122.43 2jpu h LEU 114 Ca 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2jpu h LEU 114 Cb 0.07 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2jpu h LEU 114 CO -0.03 0.62 -0.11 0.58 -1.08 0.00 0.00 178.44 178.42 2jpu h VAL 115 N 0.78 0.85 -0.42 1.22 2.07 -0.78 -2.51 116.25 117.46 2jpu h VAL 115 Ca 0.20 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2jpu h VAL 115 Cb 0.05 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2jpu h VAL 115 CO -0.03 0.12 0.29 0.40 0.02 0.00 0.00 177.57 178.36 2jpu h ILE 116 N -0.59 0.93 -0.05 4.57 2.04 -0.88 -0.82 117.51 122.71 2jpu h ILE 116 Ca -0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2jpu h ILE 116 Cb 0.43 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2jpu h ILE 116 CO 0.05 0.05 0.01 0.15 0.00 0.00 0.00 178.15 178.41 2jpu h PHE 117 N 0.29 0.09 -0.13 1.37 3.57 -0.85 0.73 116.94 122.00 2jpu h PHE 117 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 2jpu h PHE 117 Cb 0.38 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2jpu h PHE 117 CO -0.00 0.29 -0.16 0.00 -2.23 0.00 0.00 178.31 176.21 2jpu h ALA 118 N 0.78 0.19 -0.32 2.41 0.00 -1.00 -1.81 119.26 119.52 2jpu h ALA 118 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2jpu h ALA 118 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jpu h ALA 118 CO 0.00 0.10 -0.03 0.28 0.00 0.00 0.00 179.25 179.59 2jpu h VAL 119 N -0.06 1.20 -0.16 0.00 2.07 -1.16 0.61 116.25 118.77 2jpu h VAL 119 Ca 0.02 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 2jpu h VAL 119 Cb 0.71 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2jpu h VAL 119 CO 0.04 0.28 -0.42 -1.13 0.02 0.00 0.00 177.57 176.36 2jpu h ASN 120 N 0.48 0.39 0.03 0.57 -0.73 -0.83 -2.90 115.58 112.59 2jpu h ASN 120 Ca 0.10 -0.17 -0.13 0.00 1.87 0.00 0.00 56.30 57.98 2jpu h ASN 120 Cb 0.36 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 2jpu h ASN 120 CO 0.01 0.76 -0.41 0.28 -0.37 0.00 0.00 177.43 177.71 2jpu h SER 121 N 0.30 0.50 0.18 1.15 0.02 -0.25 -2.74 113.55 112.72 2jpu h SER 121 Ca 0.03 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2jpu h SER 121 Cb 0.87 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jpu h SER 121 CO 0.07 0.86 0.00 0.18 -1.14 0.00 0.00 176.83 176.80 2jpu n LEU 122 N -4.03 0.00 -0.01 5.07 4.32 0.06 -2.94 117.00 119.48 2jpu n LEU 122 Ca -0.02 0.10 0.05 0.00 -0.02 0.00 0.00 56.01 56.12 2jpu n LEU 122 Cb 0.51 -0.10 0.27 0.00 -1.62 0.00 0.00 43.42 42.47 2jpu n LEU 122 CO 0.44 -0.01 0.67 -0.62 -1.22 0.00 0.00 177.39 176.65 2jpu n GLU 123 N -1.10 1.01 -1.71 3.23 -0.58 -1.03 -4.85 120.64 115.60 2jpu n GLU 123 Ca 0.19 -0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.48 2jpu n GLU 123 Cb 0.14 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 2jpu n GLU 123 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2jpu n HIS 124 N -0.63 2.57 -0.40 -0.32 1.44 -1.15 -0.71 115.22 116.02 2jpu n HIS 124 Ca 0.07 0.30 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 2jpu n HIS 124 Cb 0.03 -2.55 0.00 0.00 0.12 0.00 0.00 29.99 27.59 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jpu n HIS 125 N 2.29 0.00 0.54 -1.40 -0.00 -1.26 -4.73 115.22 110.66 2jpu n HIS 125 Ca 0.11 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.88 2jpu n HIS 125 Cb 0.34 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 2jpu n HIS 125 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 126 N -2.00 0.00 -0.94 1.57 -0.00 0.11 -5.09 115.22 108.87 2jpu n HIS 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jpu n HIS 126 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jpu n HIS 126 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jpu n HIS 127 N -0.81 -1.71 -4.19 1.57 8.25 -0.87 -4.98 115.22 112.48 2jpu n HIS 127 Ca 0.03 1.00 -0.31 0.00 -0.26 0.00 0.00 57.72 58.18 2jpu n HIS 127 Cb 0.21 -2.50 -0.08 0.00 1.12 0.00 0.00 29.99 28.74 2jpu n HIS 127 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jpu s HIS 128 N -0.48 3.06 0.00 4.41 -0.00 -1.26 -4.97 115.29 116.04 2jpu s HIS 128 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 55.06 55.10 2jpu s HIS 128 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 32.58 30.97 2jpu s HIS 128 CO 0.00 0.48 0.12 0.72 -0.00 0.00 0.00 174.74 176.05