#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu s SER 2 N 0.00 -0.87 0.45 6.12 1.04 -1.26 -5.16 113.70 114.02 2jpu s SER 2 Ca 0.00 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.38 2jpu s SER 2 Cb 0.00 1.68 -0.03 0.00 0.10 0.00 0.00 66.02 67.76 2jpu s SER 2 CO 0.00 -0.31 0.20 0.27 0.98 0.00 0.00 173.24 174.38 2jpu s ILE 3 N 2.63 2.06 -0.46 -1.02 -4.36 -1.26 -4.89 121.20 113.91 2jpu s ILE 3 Ca 0.10 -1.69 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 2jpu s ILE 3 Cb -0.11 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.87 2jpu s ILE 3 CO -0.26 0.00 0.61 -1.20 0.24 0.00 0.00 174.94 174.33 2jpu n SER 4 N -1.33 -7.94 -4.07 4.36 7.64 -1.26 -5.02 113.62 106.01 2jpu n SER 4 Ca -0.03 0.48 -0.30 0.00 1.01 0.00 0.00 58.87 60.03 2jpu n SER 4 Cb 0.65 -5.37 0.22 0.00 -1.01 0.00 0.00 64.21 58.70 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jpu s THR 5 N -2.64 1.73 0.24 0.44 -4.23 -1.26 -4.59 115.64 105.32 2jpu s THR 5 Ca 0.23 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 2jpu s THR 5 Cb -0.06 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.47 2jpu s THR 5 CO 0.77 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.86 2jpu h SER 6 N -2.36 0.24 -0.56 3.99 0.02 -1.99 0.15 113.55 113.03 2jpu h SER 6 Ca -0.48 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 2jpu h SER 6 Cb 1.30 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2jpu h SER 6 CO 0.41 0.10 0.23 0.00 -1.14 0.00 0.00 176.83 176.43 2jpu h ALA 7 N 1.52 0.72 -0.70 3.77 0.00 -1.92 -2.36 119.26 120.31 2jpu h ALA 7 Ca 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2jpu h ALA 7 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jpu h ALA 7 CO -0.39 0.33 0.20 0.93 0.00 0.00 0.00 179.25 180.31 2jpu h GLU 8 N 0.76 1.09 -0.02 0.00 5.08 -1.47 0.59 114.58 120.61 2jpu h GLU 8 Ca 0.19 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2jpu h GLU 8 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2jpu h GLU 8 CO -0.02 0.94 -0.10 0.28 -1.00 0.00 0.00 179.01 179.12 2jpu h VAL 9 N 1.04 0.75 -0.16 3.13 2.07 -0.43 0.39 116.25 123.03 2jpu h VAL 9 Ca 0.22 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.61 2jpu h VAL 9 Cb 0.32 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2jpu h VAL 9 CO -0.00 0.00 -0.47 1.88 0.02 0.00 0.00 177.57 179.00 2jpu h TYR 10 N -0.15 0.49 -0.45 1.57 0.05 -1.26 -2.80 116.97 114.41 2jpu h TYR 10 Ca 0.04 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.57 2jpu h TYR 10 Cb 0.21 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2jpu h TYR 10 CO -0.17 0.80 -0.13 -0.92 -1.05 0.00 0.00 178.16 176.69 2jpu h TYR 11 N 0.33 1.01 -0.56 4.88 3.20 -0.51 -2.05 116.97 123.26 2jpu h TYR 11 Ca 0.02 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2jpu h TYR 11 Cb 0.95 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2jpu h TYR 11 CO 0.03 1.00 0.37 1.49 -1.64 0.00 0.00 178.16 179.40 2jpu h GLU 12 N 0.73 0.74 -0.82 1.82 4.57 -0.13 0.10 114.58 121.59 2jpu h GLU 12 Ca 0.11 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2jpu h GLU 12 Cb 0.68 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 2jpu h GLU 12 CO 0.05 0.49 0.42 0.93 -1.18 0.00 0.00 179.01 179.72 2jpu h GLU 13 N 0.76 1.15 -0.49 1.92 4.39 -1.42 0.19 114.58 121.09 2jpu h GLU 13 Ca 0.20 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2jpu h GLU 13 Cb -0.08 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 2jpu h GLU 13 CO -0.04 0.87 0.27 0.00 -1.16 0.00 0.00 179.01 178.94 2jpu h ALA 14 N 1.31 0.62 -0.83 3.43 0.00 -0.58 0.95 119.26 124.17 2jpu h ALA 14 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2jpu h ALA 14 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2jpu h ALA 14 CO -0.04 0.15 0.46 0.93 0.00 0.00 0.00 179.25 180.75 2jpu h GLU 15 N 0.65 1.15 -0.16 0.00 4.39 -0.27 0.14 114.58 120.48 2jpu h GLU 15 Ca 0.17 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jpu h GLU 15 Cb 0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2jpu h GLU 15 CO -0.03 0.84 0.08 0.93 -1.16 0.00 0.00 179.01 179.67 2jpu h GLU 16 N 1.16 0.23 0.00 2.33 4.39 0.01 -0.11 114.58 122.58 2jpu h GLU 16 Ca 0.29 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 2jpu h GLU 16 Cb 0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jpu h GLU 16 CO -0.05 0.27 -0.55 0.74 -1.16 0.00 0.00 179.01 178.27 2jpu h PHE 17 N 0.13 0.00 -0.30 4.33 0.04 -0.56 -0.09 116.94 120.49 2jpu h PHE 17 Ca 0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 2jpu h PHE 17 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2jpu h PHE 17 CO -0.03 0.55 -0.22 1.25 -0.60 0.00 0.00 178.31 179.26 2jpu h LEU 18 N 0.00 0.58 -0.52 1.54 5.85 -0.50 0.10 115.31 122.36 2jpu h LEU 18 Ca -0.01 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2jpu h LEU 18 Cb 0.97 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2jpu h LEU 18 CO 0.07 0.80 -0.52 -1.28 -0.34 0.00 0.00 178.44 177.16 2jpu h SER 19 N 0.51 0.00 -0.54 1.25 0.87 -0.45 -2.90 113.55 112.29 2jpu h SER 19 Ca 0.08 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 2jpu h SER 19 Cb 0.66 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2jpu h SER 19 CO 0.05 0.52 -0.11 0.50 -0.53 0.00 0.00 176.83 177.27 2jpu h LYS 20 N 0.00 1.02 0.00 2.24 3.64 -0.57 -3.48 116.57 119.43 2jpu h LYS 20 Ca -0.01 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2jpu h LYS 20 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2jpu h LYS 20 CO 0.07 1.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.73 2jpu n GLY 21 N -0.26 1.92 3.07 5.01 0.00 -0.39 -5.09 105.19 109.45 2jpu n GLY 21 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 4.34 0.14 1.61 -1.08 -0.12 -4.98 116.67 114.58 2jpu s ASP 22 Ca 0.00 -1.34 0.13 0.00 -0.52 0.00 0.00 52.55 50.82 2jpu s ASP 22 Cb 0.00 -1.53 -0.09 0.00 -1.46 0.00 0.00 42.92 39.84 2jpu s ASP 22 CO 0.00 -0.18 1.13 -0.07 0.52 0.00 0.00 175.17 176.57 2jpu h LEU 23 N 7.79 0.00 -0.06 -1.34 3.38 -1.94 -3.08 115.31 120.06 2jpu h LEU 23 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2jpu h LEU 23 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.80 2jpu h LEU 23 CO 0.47 0.70 -0.40 0.58 0.09 0.00 0.00 178.44 179.88 2jpu h VAL 24 N 0.00 1.43 0.00 1.22 2.07 -1.94 -0.90 116.25 118.13 2jpu h VAL 24 Ca -0.09 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.50 2jpu h VAL 24 Cb 1.61 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.76 2jpu h VAL 24 CO 0.08 0.53 -0.51 1.56 0.02 0.00 0.00 177.57 179.25 2jpu h GLN 25 N -0.13 0.00 0.05 1.57 4.20 -1.96 -3.27 115.11 115.56 2jpu h GLN 25 Ca -0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 2jpu h GLN 25 Cb 1.07 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.87 2jpu h GLN 25 CO 0.08 0.51 -1.09 0.00 -0.67 0.00 0.00 178.83 177.66 2jpu h ALA 26 N 1.49 0.07 -0.37 3.87 0.00 -1.46 -3.27 119.26 119.58 2jpu h ALA 26 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2jpu h ALA 26 Cb 1.01 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2jpu h ALA 26 CO 0.07 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.08 2jpu h GLU 28 N 0.53 0.13 -0.00 0.00 4.11 -1.67 -2.15 114.58 115.53 2jpu h GLU 28 Ca 0.13 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 2jpu h GLU 28 Cb 0.18 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jpu h GLU 28 CO -0.01 0.75 -0.00 0.87 0.07 0.00 0.00 179.01 180.69 2jpu h LYS 29 N 0.09 0.00 0.00 1.06 1.79 -1.29 -0.68 116.57 117.54 2jpu h LYS 29 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2jpu h LYS 29 Cb 1.19 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jpu h LYS 29 CO 0.10 0.35 0.00 0.10 -1.08 0.00 0.00 179.45 178.91 2jpu h TYR 30 N -0.35 0.00 -0.58 -1.35 -0.00 -1.56 -2.56 116.97 110.58 2jpu h TYR 30 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 2jpu h TYR 30 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.05 2jpu h TYR 30 CO 0.05 0.00 0.20 -0.92 -0.00 0.00 0.00 178.16 177.49 2jpu h TYR 31 N 0.00 0.91 -0.40 0.10 3.20 -1.03 -0.42 116.97 119.33 2jpu h TYR 31 Ca 0.00 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 2jpu h TYR 31 Cb 0.73 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2jpu h TYR 31 CO 0.00 0.75 -0.04 0.87 -1.64 0.00 0.00 178.16 178.10 2jpu h LYS 32 N 0.81 0.67 -0.22 1.82 1.79 -0.75 -1.04 116.57 119.66 2jpu h LYS 32 Ca 0.19 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 2jpu h LYS 32 Cb 0.25 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2jpu h LYS 32 CO -0.01 0.71 -0.09 0.00 -1.08 0.00 0.00 179.45 178.99 2jpu h ALA 33 N 1.34 1.45 -0.18 3.86 0.00 -1.09 -1.50 119.26 123.13 2jpu h ALA 33 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2jpu h ALA 33 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jpu h ALA 33 CO 0.02 0.39 -0.17 0.00 0.00 0.00 0.00 179.25 179.48 2jpu h ALA 34 N 1.59 0.27 -0.58 0.00 0.00 -0.11 -1.18 119.26 119.25 2jpu h ALA 34 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jpu h ALA 34 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2jpu h ALA 34 CO 0.02 0.18 0.28 0.93 0.00 0.00 0.00 179.25 180.65 2jpu h GLU 35 N 0.10 0.83 -0.77 0.00 5.08 -1.01 -2.29 114.58 116.52 2jpu h GLU 35 Ca 0.03 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2jpu h GLU 35 Cb 0.71 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2jpu h GLU 35 CO 0.04 0.67 0.41 0.93 -1.00 0.00 0.00 179.01 180.07 2jpu h GLU 36 N 0.78 1.07 -0.45 2.33 4.39 -1.26 -2.88 114.58 118.56 2jpu h GLU 36 Ca 0.20 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2jpu h GLU 36 Cb 0.11 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2jpu h GLU 36 CO -0.03 0.79 0.27 0.00 -1.16 0.00 0.00 179.01 178.88 2jpu h ALA 37 N 1.38 0.57 -0.05 3.43 0.00 -0.66 -1.06 119.26 122.87 2jpu h ALA 37 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2jpu h ALA 37 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jpu h ALA 37 CO -0.04 0.06 -0.01 0.82 0.00 0.00 0.00 179.25 180.07 2jpu h ILE 38 N 0.59 0.95 -0.15 0.00 1.08 -1.25 -0.75 117.51 117.99 2jpu h ILE 38 Ca 0.16 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.56 2jpu h ILE 38 Cb 0.00 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2jpu h ILE 38 CO -0.03 0.00 -0.23 0.07 -0.69 0.00 0.00 178.15 177.27 2jpu h LYS 39 N -0.00 0.26 -0.45 2.37 2.10 -1.42 -1.60 116.57 117.82 2jpu h LYS 39 Ca 0.02 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2jpu h LYS 39 Cb 0.04 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2jpu h LYS 39 CO -0.05 0.48 0.18 -0.07 -2.00 0.00 0.00 179.45 177.98 2jpu h LEU 40 N 0.24 0.62 -1.04 7.07 3.38 -0.61 -2.46 115.31 122.50 2jpu h LEU 40 Ca 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2jpu h LEU 40 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2jpu h LEU 40 CO 0.04 0.63 -0.22 -0.07 0.09 0.00 0.00 178.44 178.91 2jpu h LEU 41 N 0.58 0.42 -1.21 1.67 4.07 -0.69 -2.47 115.31 117.68 2jpu h LEU 41 Ca 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2jpu h LEU 41 Cb 0.20 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 2jpu h LEU 41 CO -0.01 0.65 0.29 0.58 -1.08 0.00 0.00 178.44 178.87 2jpu h VAL 42 N 0.38 1.19 -0.47 1.22 2.07 -1.04 -2.36 116.25 117.25 2jpu h VAL 42 Ca 0.06 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jpu h VAL 42 Cb 0.60 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jpu h VAL 42 CO 0.04 0.23 0.31 0.40 0.02 0.00 0.00 177.57 178.57 2jpu h ILE 43 N 0.84 1.12 0.00 4.57 2.04 -0.98 0.59 117.51 125.70 2jpu h ILE 43 Ca 0.21 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 2jpu h ILE 43 Cb 0.08 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2jpu h ILE 43 CO -0.03 0.12 -0.65 1.05 0.00 0.00 0.00 178.15 178.64 2jpu h GLU 44 N 0.64 0.00 0.00 2.37 4.11 -1.52 -2.88 114.58 117.30 2jpu h GLU 44 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2jpu h GLU 44 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jpu h GLU 44 CO -0.04 0.65 0.00 -0.91 0.07 0.00 0.00 179.01 178.78 2jpu h ASN 45 N 0.00 0.00 -4.48 3.06 2.35 -0.88 -3.47 115.58 112.17 2jpu h ASN 45 Ca -0.01 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.34 2jpu h ASN 45 Cb 1.20 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.63 2jpu h ASN 45 CO 0.08 0.00 -0.61 -3.20 -1.65 0.00 0.00 177.43 172.06 2jpu n ASN 46 N -2.40 -6.10 -4.56 5.81 5.15 0.15 -4.87 115.26 108.46 2jpu n ASN 46 Ca 0.05 -0.29 -0.35 0.00 -0.60 0.00 0.00 54.58 53.39 2jpu n ASN 46 Cb 0.41 -4.93 -0.04 0.00 -0.53 0.00 0.00 39.78 34.70 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 -6.68 3.27 0.51 1.20 1.43 -1.20 -4.79 118.68 112.41 2jpu s LEU 47 Ca 0.30 -0.51 0.29 0.00 -1.03 0.00 0.00 54.13 53.19 2jpu s LEU 47 Cb -0.13 -2.55 1.23 0.00 0.03 0.00 0.00 46.19 44.76 2jpu s LEU 47 CO 0.37 -2.25 1.94 0.50 0.23 0.00 0.00 176.35 177.15 2jpu h LYS 48 N 11.83 0.00 -0.85 1.70 3.64 -1.93 -2.53 116.57 128.44 2jpu h LYS 48 Ca -0.04 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2jpu h LYS 48 Cb 1.06 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 2jpu h LYS 48 CO 1.27 0.10 0.50 1.49 -2.27 0.00 0.00 179.45 180.54 2jpu h GLU 49 N 0.00 0.81 0.07 1.90 4.57 -1.99 -0.70 114.58 119.24 2jpu h GLU 49 Ca -0.00 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 57.85 2jpu h GLU 49 Cb 0.57 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2jpu h GLU 49 CO 0.01 0.53 -1.48 0.82 -1.18 0.00 0.00 179.01 177.72 2jpu h ILE 50 N 0.83 1.18 -0.38 2.32 1.08 -1.87 -2.91 117.51 117.78 2jpu h ILE 50 Ca 0.41 -2.89 -0.13 0.00 -0.39 0.00 0.00 64.86 61.86 2jpu h ILE 50 Cb 0.37 2.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 2jpu h ILE 50 CO -0.25 0.78 -0.29 0.71 -0.69 0.00 0.00 178.15 178.42 2jpu h THR 51 N 0.04 1.28 0.00 -0.27 1.35 -1.27 0.25 112.91 114.29 2jpu h THR 51 Ca -0.21 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2jpu h THR 51 Cb 1.97 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2jpu h THR 51 CO 0.14 0.48 0.00 0.78 -0.25 0.00 0.00 175.52 176.67 2jpu h ASN 52 N 0.67 0.00 0.00 5.36 2.35 -1.25 -0.50 115.58 122.21 2jpu h ASN 52 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2jpu h ASN 52 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2jpu h ASN 52 CO 0.08 0.00 -0.00 -1.13 -1.65 0.00 0.00 177.43 174.73 2jpu h ASN 53 N 0.00 -0.00 1.25 5.81 -0.73 -1.14 -3.31 115.58 117.46 2jpu h ASN 53 Ca 0.00 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.25 2jpu h ASN 53 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2jpu h ASN 53 CO 0.00 0.94 0.00 1.62 -0.37 0.00 0.00 177.43 179.62 2jpu h VAL 54 N -0.96 0.00 -0.54 2.57 3.04 -0.49 -2.88 116.25 116.99 2jpu h VAL 54 Ca -0.00 -0.53 0.16 0.00 -1.01 0.00 0.00 66.70 65.31 2jpu h VAL 54 Cb 0.92 1.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 2jpu h VAL 54 CO 0.00 0.00 0.48 0.50 -1.01 0.00 0.00 177.57 177.54 2jpu h LYS 55 N 0.00 0.00 -0.24 4.17 1.63 -1.17 0.25 116.57 121.21 2jpu h LYS 55 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 2jpu h LYS 55 Cb 0.63 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 2jpu h LYS 55 CO 0.00 0.00 -0.25 -0.97 -3.45 0.00 0.00 179.45 174.78 2jpu h ASN 56 N 0.00 0.64 1.02 4.20 -1.24 -1.68 -3.22 115.58 115.30 2jpu h ASN 56 Ca 0.25 -0.48 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2jpu h ASN 56 Cb 1.20 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.07 2jpu h ASN 56 CO -0.00 0.99 -0.47 0.29 -1.29 0.00 0.00 177.43 176.94 2jpu n LYS 57 N -4.34 0.29 0.00 6.67 4.76 -0.27 -4.93 118.16 120.33 2jpu n LYS 57 Ca -0.05 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2jpu n LYS 57 Cb 0.44 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jpu n GLY 58 N 1.33 2.15 3.05 0.72 0.00 -0.08 -4.88 105.19 107.46 2jpu n GLY 58 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.49 0.39 1.61 3.52 -1.26 -4.94 118.95 118.77 2jpu s ARG 59 Ca 0.00 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 54.47 2jpu s ARG 59 Cb 0.00 0.00 -0.09 0.00 -1.56 0.00 0.00 34.95 33.30 2jpu s ARG 59 CO 0.00 -0.04 1.30 -1.58 -0.81 0.00 0.00 175.30 174.17 2jpu s TRP 60 N -2.27 2.87 0.08 5.12 0.52 -1.26 -4.99 118.94 119.01 2jpu s TRP 60 Ca -0.06 1.42 0.05 0.00 0.02 0.00 0.00 56.10 57.53 2jpu s TRP 60 Cb -0.04 -3.65 -0.03 0.00 -1.15 0.00 0.00 33.47 28.59 2jpu s TRP 60 CO -0.03 -2.01 -0.14 -1.59 0.02 0.00 0.00 176.95 173.20 2jpu s LYS 61 N -2.17 0.84 0.43 4.98 -2.85 -1.26 -5.04 119.74 114.66 2jpu s LYS 61 Ca 0.56 -0.99 0.18 0.00 -1.00 0.00 0.00 55.97 54.72 2jpu s LYS 61 Cb -0.38 -0.83 1.09 0.00 -2.06 0.00 0.00 37.83 35.65 2jpu s LYS 61 CO 0.49 0.18 1.88 0.66 0.10 0.00 0.00 175.35 178.66 2jpu h SER 62 N 4.21 0.38 -0.61 0.03 4.64 -1.98 0.10 113.55 120.32 2jpu h SER 62 Ca -0.41 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2jpu h SER 62 Cb 1.19 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2jpu h SER 62 CO 0.41 0.17 0.30 -0.08 -0.87 0.00 0.00 176.83 176.76 2jpu h GLU 63 N 0.39 0.88 -0.11 4.77 4.81 -1.99 0.25 114.58 123.58 2jpu h GLU 63 Ca 0.43 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2jpu h GLU 63 Cb 1.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jpu h GLU 63 CO -0.14 0.70 -0.55 -0.97 -0.73 0.00 0.00 179.01 177.31 2jpu h ASN 64 N 0.84 0.37 -0.40 1.04 -0.73 -1.32 -2.43 115.58 112.94 2jpu h ASN 64 Ca 0.21 -0.20 -0.10 0.00 1.87 0.00 0.00 56.30 58.09 2jpu h ASN 64 Cb 0.11 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2jpu h ASN 64 CO -0.03 0.85 -0.11 -0.07 -0.37 0.00 0.00 177.43 177.70 2jpu h LEU 65 N 0.25 0.85 -0.77 0.34 3.38 -0.43 -0.50 115.31 118.43 2jpu h LEU 65 Ca 0.00 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2jpu h LEU 65 Cb 1.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2jpu h LEU 65 CO 0.09 0.97 0.26 0.15 0.09 0.00 0.00 178.44 180.01 2jpu h PHE 66 N 0.77 1.21 -0.41 1.13 3.57 -0.37 0.15 116.94 122.98 2jpu h PHE 66 Ca 0.13 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jpu h PHE 66 Cb 0.62 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2jpu h PHE 66 CO 0.03 0.94 0.25 -0.22 -2.23 0.00 0.00 178.31 177.09 2jpu h LYS 67 N 1.13 0.56 -0.64 1.11 3.64 -0.94 -1.90 116.57 119.54 2jpu h LYS 67 Ca 0.25 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2jpu h LYS 67 Cb 0.28 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2jpu h LYS 67 CO -0.01 0.41 0.15 0.00 -2.27 0.00 0.00 179.45 177.73 2jpu h ALA 68 N 1.12 0.84 0.00 5.00 0.00 -0.75 -2.69 119.26 122.78 2jpu h ALA 68 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jpu h ALA 68 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2jpu h ALA 68 CO -0.03 0.56 -0.11 0.77 0.00 0.00 0.00 179.25 180.43 2jpu h SER 69 N 0.94 0.00 -0.42 0.00 0.02 -0.38 0.12 113.55 113.83 2jpu h SER 69 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2jpu h SER 69 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2jpu h SER 69 CO 0.00 0.11 0.13 0.50 -1.14 0.00 0.00 176.83 176.44 2jpu h LYS 70 N 0.00 0.66 -0.14 3.45 3.11 -1.01 -2.51 116.57 120.13 2jpu h LYS 70 Ca -0.00 -0.14 -0.15 0.00 -2.81 0.00 0.00 60.65 57.54 2jpu h LYS 70 Cb 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 2jpu h LYS 70 CO 0.01 0.65 -0.56 -0.07 -2.81 0.00 0.00 179.45 176.67 2jpu h LEU 71 N 0.54 0.49 -0.72 5.20 3.38 -1.18 -2.94 115.31 120.08 2jpu h LEU 71 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jpu h LEU 71 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jpu h LEU 71 CO -0.00 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.65 2jpu n LEU 72 N -3.93 0.45 0.26 1.67 4.77 0.31 -1.76 117.00 118.77 2jpu n LEU 72 Ca -0.03 0.65 0.16 0.00 -0.03 0.00 0.00 56.01 56.76 2jpu n LEU 72 Cb 0.60 -0.63 0.87 0.00 -2.33 0.00 0.00 43.42 41.93 2jpu n LEU 72 CO 0.46 -0.62 1.13 -0.09 -1.33 0.00 0.00 177.39 176.94 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 1.12 -1.26 -1.12 114.38 116.35 2jpu h ARG 73 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2jpu h ARG 73 Cb 0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2jpu h ARG 73 CO 0.00 0.00 -0.07 0.77 -3.11 0.00 0.00 179.97 177.56 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 0.02 -1.56 -2.80 113.55 105.41 2jpu h SER 74 Ca 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2jpu h SER 74 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2jpu h SER 74 CO -0.00 0.07 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.34 2jpu h ASN 75 N 0.00 0.00 -3.69 3.07 -1.24 -1.43 -3.48 115.58 108.81 2jpu h ASN 75 Ca -0.00 -0.72 -0.02 0.00 0.71 0.00 0.00 56.30 56.27 2jpu h ASN 75 Cb 0.15 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 38.99 2jpu h ASN 75 CO 0.01 1.02 0.11 0.21 -1.29 0.00 0.00 177.43 177.49 2jpu s ASN 76 N -6.24 -0.80 0.33 1.15 3.84 -1.06 -5.04 114.94 107.13 2jpu s ASN 76 Ca -0.18 1.46 0.26 0.00 0.21 0.00 0.00 52.86 54.60 2jpu s ASN 76 Cb -0.01 1.44 1.12 0.00 -0.55 0.00 0.00 41.25 43.25 2jpu s ASN 76 CO 0.56 -0.24 1.78 0.00 -2.79 0.00 0.00 177.10 176.40 2jpu h THR 77 N 4.28 0.00 -0.17 -5.21 1.03 -1.87 -2.91 112.91 108.06 2jpu h THR 77 Ca -0.29 -0.25 -0.09 0.00 -0.01 0.00 0.00 66.41 65.76 2jpu h THR 77 Cb 1.18 1.02 -0.01 0.00 -1.07 0.00 0.00 68.15 69.27 2jpu h THR 77 CO 0.08 0.00 -0.29 -0.33 -0.01 0.00 0.00 175.52 174.98 2jpu h GLU 78 N 0.00 0.33 0.53 0.00 5.08 -1.95 -3.21 114.58 115.36 2jpu h GLU 78 Ca 0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jpu h GLU 78 Cb 0.34 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jpu h GLU 78 CO 0.00 0.59 -0.45 0.82 -1.00 0.00 0.00 179.01 178.97 2jpu h ILE 79 N 0.29 0.10 -0.16 3.13 5.03 -1.85 0.22 117.51 124.28 2jpu h ILE 79 Ca 0.04 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.80 2jpu h ILE 79 Cb 0.66 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 2jpu h ILE 79 CO 0.05 0.00 0.11 1.55 -0.68 0.00 0.00 178.15 179.17 2jpu h PRO 80 N -0.97 0.12 -0.11 2.37 0.13 -1.73 0.12 132.00 131.93 2jpu h PRO 80 Ca -0.06 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2jpu h PRO 80 Cb 0.83 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2jpu h PRO 80 CO -0.02 0.08 -0.21 0.82 -0.23 0.00 0.00 178.00 178.44 2jpu h ILE 81 N 0.12 1.38 -0.22 -3.56 2.04 -1.42 -0.34 117.51 115.51 2jpu h ILE 81 Ca 0.07 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.30 2jpu h ILE 81 Cb 0.11 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2jpu h ILE 81 CO -0.01 0.43 -0.47 -0.07 0.00 0.00 0.00 178.15 178.03 2jpu h LEU 82 N -0.09 0.63 -0.85 1.44 3.38 -0.08 -2.10 115.31 117.64 2jpu h LEU 82 Ca 0.01 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2jpu h LEU 82 Cb 0.79 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2jpu h LEU 82 CO 0.05 1.01 -0.01 -0.25 0.09 0.00 0.00 178.44 179.32 2jpu h TRP 83 N 0.46 0.90 -0.86 1.13 2.91 -0.81 -2.70 115.95 116.99 2jpu h TRP 83 Ca 0.03 -0.14 0.05 0.00 1.13 0.00 0.00 58.89 59.96 2jpu h TRP 83 Cb 1.00 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 29.35 2jpu h TRP 83 CO 0.04 0.83 0.54 -0.22 -1.03 0.00 0.00 178.44 178.61 2jpu h LYS 84 N 0.78 0.99 -0.46 2.65 3.64 -0.54 0.75 116.57 124.38 2jpu h LYS 84 Ca 0.15 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2jpu h LYS 84 Cb 0.48 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2jpu h LYS 84 CO 0.02 0.65 0.26 0.77 -2.27 0.00 0.00 179.45 178.89 2jpu h SER 85 N 1.02 0.40 -0.37 4.20 0.02 -1.09 0.42 113.55 118.16 2jpu h SER 85 Ca 0.36 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.16 2jpu h SER 85 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jpu h SER 85 CO -0.15 0.29 -0.38 0.00 -1.14 0.00 0.00 176.83 175.45 2jpu h ALA 86 N 1.22 0.54 -0.99 3.77 0.00 -1.06 -2.80 119.26 119.95 2jpu h ALA 86 Ca 0.19 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2jpu h ALA 86 Cb 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2jpu h ALA 86 CO -0.11 0.64 0.64 2.35 0.00 0.00 0.00 179.25 182.77 2jpu h TRP 87 N 0.72 1.18 -0.20 0.00 2.91 0.90 -0.76 115.95 120.69 2jpu h TRP 87 Ca 0.06 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.07 2jpu h TRP 87 Cb 0.97 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 2jpu h TRP 87 CO 0.07 0.58 -0.05 1.15 -1.03 0.00 0.00 178.44 179.15 2jpu h THR 88 N 1.12 1.16 0.00 2.65 2.02 0.05 -0.81 112.91 119.11 2jpu h THR 88 Ca 0.44 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2jpu h THR 88 Cb 0.24 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2jpu h THR 88 CO -0.19 0.21 -0.17 -0.07 0.37 0.00 0.00 175.52 175.67 2jpu h LEU 89 N 0.30 0.00 0.03 2.58 3.38 -0.89 0.36 115.31 121.08 2jpu h LEU 89 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 2jpu h LEU 89 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2jpu h LEU 89 CO 0.01 0.17 -1.40 -0.74 0.09 0.00 0.00 178.44 176.58 2jpu h HIS 90 N 0.00 0.12 0.26 1.13 2.76 -0.96 -3.07 115.15 115.38 2jpu h HIS 90 Ca -0.00 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 2jpu h HIS 90 Cb 0.43 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2jpu h HIS 90 CO 0.00 1.11 -0.12 0.28 -1.30 0.00 0.00 177.93 177.89 2jpu h VAL 91 N 0.02 0.39 -3.07 5.26 2.07 -0.59 -3.41 116.25 116.92 2jpu h VAL 91 Ca -0.17 -0.89 -0.62 0.00 0.82 0.00 0.00 66.70 65.84 2jpu h VAL 91 Cb 1.92 0.67 -0.41 0.00 -1.52 0.00 0.00 31.29 31.95 2jpu h VAL 91 CO 0.12 0.10 -0.69 -1.61 0.02 0.00 0.00 177.57 175.51 2jpu s GLU 92 N -3.18 1.67 -0.21 1.57 2.02 0.12 -5.01 118.70 115.68 2jpu s GLU 92 Ca -0.09 -2.43 -0.28 0.00 0.02 0.00 0.00 54.97 52.18 2jpu s GLU 92 Cb 0.01 -2.75 0.13 0.00 0.10 0.00 0.00 34.13 31.62 2jpu s GLU 92 CO 0.33 -1.19 1.05 0.20 0.02 0.00 0.00 175.26 175.67 2jpu s GLY 93 N -0.18 -0.18 0.00 -1.39 0.00 -1.16 -4.51 107.32 99.91 2jpu s GLY 93 Ca 0.20 2.34 0.00 0.00 0.00 0.00 0.00 44.72 47.26 2jpu s GLY 93 CO -0.04 1.31 0.00 0.69 0.00 0.00 0.00 173.10 175.06 2jpu n PHE 94 N 1.18 0.00 -2.33 1.90 3.72 -0.84 -4.78 117.46 116.30 2jpu n PHE 94 Ca -0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.94 2jpu n PHE 94 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 2jpu n PHE 94 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2jpu s HIS 95 N 0.00 2.34 0.00 1.38 2.46 -1.26 -4.46 115.29 115.75 2jpu s HIS 95 Ca 0.00 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.02 2jpu s HIS 95 Cb 0.00 -4.40 0.00 0.00 -0.13 0.00 0.00 32.58 28.05 2jpu s HIS 95 CO 0.00 -1.61 0.00 -1.91 -2.47 0.00 0.00 174.74 168.75 2jpu n GLU 96 N 8.48 0.00 -1.94 2.88 2.13 -1.26 -4.84 120.64 126.09 2jpu n GLU 96 Ca 0.44 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.00 2jpu n GLU 96 Cb 0.47 -0.02 -0.05 0.00 0.27 0.00 0.00 31.44 32.11 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jpu s LEU 97 N 0.00 3.14 0.00 4.31 2.01 -1.26 -4.67 118.68 122.20 2jpu s LEU 97 Ca 0.00 -0.35 0.22 0.00 0.01 0.00 0.00 54.13 54.01 2jpu s LEU 97 Cb 0.00 -2.55 -0.08 0.00 0.01 0.00 0.00 46.19 43.56 2jpu s LEU 97 CO 0.00 -2.91 0.97 -1.20 1.01 0.00 0.00 176.35 174.22 2jpu n SER 98 N 14.75 0.81 -0.61 2.29 7.64 -1.26 -1.99 113.62 135.24 2jpu n SER 98 Ca 0.39 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2jpu n SER 98 Cb 0.47 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 -1.60 0.00 -4.29 -3.43 4.77 -1.26 -4.74 117.00 106.45 2jpu n LEU 99 Ca 0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 2jpu n LEU 99 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2jpu n LEU 99 CO 0.42 -1.01 -0.29 0.54 -1.33 0.00 0.00 177.39 175.72 2jpu s ASN 100 N -4.00 1.25 0.24 -1.43 2.20 -1.26 -5.04 114.94 106.90 2jpu s ASN 100 Ca 0.00 -1.29 -0.06 0.00 -0.94 0.00 0.00 52.86 50.57 2jpu s ASN 100 Cb 0.00 0.13 0.33 0.00 -2.00 0.00 0.00 41.25 39.71 2jpu s ASN 100 CO 0.00 -0.65 1.85 -0.08 -2.94 0.00 0.00 177.10 175.27 2jpu h GLU 101 N 2.51 0.92 -0.48 3.55 4.81 -1.98 0.12 114.58 124.02 2jpu h GLU 101 Ca -0.38 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2jpu h GLU 101 Cb 1.23 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 2jpu h GLU 101 CO 0.62 0.61 0.21 -0.22 -0.73 0.00 0.00 179.01 179.49 2jpu h LYS 102 N 0.94 0.40 -0.03 1.92 1.63 -2.00 0.43 116.57 119.87 2jpu h LYS 102 Ca 0.37 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.92 2jpu h LYS 102 Cb 0.17 -0.09 0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2jpu h LYS 102 CO -0.17 0.27 -0.87 0.93 -3.45 0.00 0.00 179.45 176.15 2jpu h GLU 103 N 0.42 0.65 -0.67 1.90 5.08 -1.83 -3.25 114.58 116.89 2jpu h GLU 103 Ca 0.22 -0.65 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2jpu h GLU 103 Cb 0.18 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2jpu h GLU 103 CO -0.19 1.25 0.22 0.28 -1.00 0.00 0.00 179.01 179.57 2jpu h VAL 104 N 0.30 1.25 0.00 3.13 2.07 -0.66 -1.98 116.25 120.36 2jpu h VAL 104 Ca -0.10 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 2jpu h VAL 104 Cb 1.53 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2jpu h VAL 104 CO 0.17 0.33 -0.22 0.07 0.02 0.00 0.00 177.57 177.94 2jpu h LYS 105 N 0.96 0.00 -0.03 1.57 5.09 -1.02 -0.35 116.57 122.80 2jpu h LYS 105 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.93 2jpu h LYS 105 Cb 0.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.61 2jpu h LYS 105 CO -0.01 0.22 -0.08 0.87 -2.09 0.00 0.00 179.45 178.36 2jpu h LYS 106 N 0.00 0.10 -0.78 0.07 1.57 -1.48 -2.86 116.57 113.19 2jpu h LYS 106 Ca -0.00 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2jpu h LYS 106 Cb 0.40 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 2jpu h LYS 106 CO 0.03 0.70 0.51 1.25 -0.57 0.00 0.00 179.45 181.38 2jpu h LEU 107 N -0.48 0.79 -1.13 2.94 7.12 -0.99 0.16 115.31 123.73 2jpu h LEU 107 Ca -0.00 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jpu h LEU 107 Cb 0.71 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 2jpu h LEU 107 CO 0.02 0.53 0.56 0.50 -0.13 0.00 0.00 178.44 179.91 2jpu h LYS 108 N 0.91 1.14 -0.02 1.25 3.11 -1.07 -0.00 116.57 121.89 2jpu h LYS 108 Ca 0.32 -0.08 -0.25 0.00 -2.81 0.00 0.00 60.65 57.84 2jpu h LYS 108 Cb 0.14 -0.25 0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2jpu h LYS 108 CO -0.10 0.77 -0.98 0.93 -2.81 0.00 0.00 179.45 177.25 2jpu h GLU 109 N 1.18 0.63 -0.33 1.90 5.08 -0.75 -0.27 114.58 122.01 2jpu h GLU 109 Ca 0.31 -0.65 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2jpu h GLU 109 Cb -0.11 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2jpu h GLU 109 CO -0.07 1.25 0.21 -0.44 -1.00 0.00 0.00 179.01 178.96 2jpu h ASP 110 N 0.37 0.35 -0.57 1.42 3.32 -0.36 0.34 116.42 121.28 2jpu h ASP 110 Ca -0.11 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 2jpu h ASP 110 Cb 1.63 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.08 2jpu h ASP 110 CO 0.19 0.25 -0.01 0.58 -1.72 0.00 0.00 179.24 178.53 2jpu h VAL 111 N 0.42 1.26 -0.93 -1.35 2.07 -1.05 -2.85 116.25 113.83 2jpu h VAL 111 Ca 0.13 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.60 2jpu h VAL 111 Cb -0.02 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2jpu h VAL 111 CO -0.04 0.42 0.60 -0.09 0.02 0.00 0.00 177.57 178.47 2jpu h ARG 112 N 0.94 0.90 -0.61 1.57 2.43 -0.30 0.42 114.38 119.73 2jpu h ARG 112 Ca 0.17 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2jpu h ARG 112 Cb 0.56 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2jpu h ARG 112 CO 0.03 0.59 0.37 0.87 -1.51 0.00 0.00 179.97 180.33 2jpu h LYS 113 N 0.92 0.70 -0.26 0.20 1.57 -0.71 0.39 116.57 119.39 2jpu h LYS 113 Ca 0.44 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 2jpu h LYS 113 Cb 0.43 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jpu h LYS 113 CO -0.20 0.47 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.85 2jpu h LEU 114 N 0.73 0.64 -0.11 2.94 4.07 -1.04 -3.11 115.31 119.43 2jpu h LEU 114 Ca 0.25 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2jpu h LEU 114 Cb 0.04 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 2jpu h LEU 114 CO -0.11 0.97 0.07 0.58 -1.08 0.00 0.00 178.44 178.87 2jpu h VAL 115 N 0.33 1.02 -0.41 1.22 2.07 0.20 0.26 116.25 120.93 2jpu h VAL 115 Ca 0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2jpu h VAL 115 Cb 0.78 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2jpu h VAL 115 CO 0.06 0.03 0.28 0.40 0.02 0.00 0.00 177.57 178.35 2jpu h ILE 116 N 0.14 0.99 0.17 4.57 2.04 -1.02 0.80 117.51 125.20 2jpu h ILE 116 Ca 0.04 -0.13 -0.31 0.00 1.00 0.00 0.00 64.86 65.47 2jpu h ILE 116 Cb -0.01 0.58 0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2jpu h ILE 116 CO -0.02 0.07 -1.33 0.15 0.00 0.00 0.00 178.15 177.02 2jpu h PHE 117 N 0.38 0.87 -0.23 1.37 3.57 -1.24 -0.88 116.94 120.76 2jpu h PHE 117 Ca 0.18 -0.60 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 2jpu h PHE 117 Cb 0.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2jpu h PHE 117 CO -0.00 1.45 0.08 0.00 -2.23 0.00 0.00 178.31 177.61 2jpu h ALA 118 N 0.33 0.30 -0.82 2.41 0.00 0.17 -1.46 119.26 120.19 2jpu h ALA 118 Ca -0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2jpu h ALA 118 Cb 2.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2jpu h ALA 118 CO 0.24 -0.09 0.35 0.28 0.00 0.00 0.00 179.25 180.04 2jpu h VAL 119 N 0.21 1.26 -0.02 0.00 2.07 -0.92 -1.63 116.25 117.23 2jpu h VAL 119 Ca 0.08 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2jpu h VAL 119 Cb 0.21 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2jpu h VAL 119 CO -0.00 0.33 0.03 -1.13 0.02 0.00 0.00 177.57 176.82 2jpu h ASN 120 N 1.18 0.00 0.39 0.57 -0.73 -0.85 -0.61 115.58 115.54 2jpu h ASN 120 Ca 0.28 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.24 2jpu h ASN 120 Cb 0.18 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 2jpu h ASN 120 CO -0.03 0.00 -0.88 -1.28 -0.37 0.00 0.00 177.43 174.88 2jpu h SER 121 N 0.00 0.44 1.11 1.15 0.87 -0.26 -3.20 113.55 113.66 2jpu h SER 121 Ca 0.01 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2jpu h SER 121 Cb 0.07 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2jpu h SER 121 CO -0.00 1.12 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.96 2jpu h LEU 122 N 0.20 0.00 -1.62 2.23 4.07 -1.06 -3.12 115.31 116.02 2jpu h LEU 122 Ca -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 2jpu h LEU 122 Cb 1.50 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.23 2jpu h LEU 122 CO 0.15 0.06 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.16 2jpu h GLU 123 N 0.00 0.00 -1.46 1.13 5.08 -1.37 -3.49 114.58 114.47 2jpu h GLU 123 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jpu h GLU 123 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jpu h GLU 123 CO 0.00 0.08 -0.34 1.58 -1.00 0.00 0.00 179.01 179.32 2jpu n HIS 124 N -3.26 -1.72 -1.98 4.33 -0.00 -1.18 -5.04 115.22 106.37 2jpu n HIS 124 Ca -0.00 0.90 -0.02 0.00 -0.00 0.00 0.00 57.72 58.60 2jpu n HIS 124 Cb 0.30 -2.23 -0.01 0.00 -0.00 0.00 0.00 29.99 28.04 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 125 N -0.27 -2.89 -2.12 1.57 -0.00 -1.26 -4.86 115.22 105.39 2jpu n HIS 125 Ca 0.00 1.70 -0.43 0.00 -0.00 0.00 0.00 57.72 59.00 2jpu n HIS 125 Cb 0.00 -3.08 -0.02 0.00 -0.00 0.00 0.00 29.99 26.89 2jpu n HIS 125 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jpu s HIS 126 N -0.39 2.04 -0.61 1.57 0.09 -1.26 -4.95 115.29 111.78 2jpu s HIS 126 Ca -0.08 0.62 -0.23 0.00 -0.00 0.00 0.00 55.06 55.36 2jpu s HIS 126 Cb 0.01 -4.13 0.05 0.00 -0.00 0.00 0.00 32.58 28.51 2jpu s HIS 126 CO 0.22 -2.71 0.95 -1.58 -0.00 0.00 0.00 174.74 171.63 2jpu s HIS 127 N 6.06 2.72 -0.39 1.40 5.04 -1.26 -4.93 115.29 123.93 2jpu s HIS 127 Ca 0.73 -0.29 0.08 0.00 -1.54 0.00 0.00 55.06 54.04 2jpu s HIS 127 Cb -0.21 -4.17 0.26 0.00 0.04 0.00 0.00 32.58 28.50 2jpu s HIS 127 CO 0.32 -1.51 0.58 -2.39 -2.34 0.00 0.00 174.74 169.40 2jpu n HIS 128 N 7.61 -0.51 -1.51 3.88 1.44 -1.26 -5.07 115.22 119.79 2jpu n HIS 128 Ca -0.01 -3.47 0.00 0.00 -2.01 0.00 0.00 57.72 52.23 2jpu n HIS 128 Cb 0.46 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.36 2jpu n HIS 128 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25