#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 4.20 0.64 7.83 1.04 -1.26 -5.12 113.70 121.03 2jpu s SER 2 Ca 0.00 -2.06 -0.04 0.00 0.48 0.00 0.00 55.95 54.32 2jpu s SER 2 Cb 0.00 -1.17 0.05 0.00 0.10 0.00 0.00 66.02 64.99 2jpu s SER 2 CO 0.00 -0.37 0.93 0.27 0.98 0.00 0.00 173.24 175.06 2jpu s ILE 3 N 1.05 2.62 -0.52 -1.02 -4.36 -1.26 -4.97 121.20 112.73 2jpu s ILE 3 Ca 0.12 -0.33 -0.02 0.00 -0.26 0.00 0.00 60.65 60.16 2jpu s ILE 3 Cb -0.20 -3.08 0.27 0.00 1.25 0.00 0.00 42.46 40.70 2jpu s ILE 3 CO -0.14 -0.08 2.19 -1.20 0.24 0.00 0.00 174.94 175.96 2jpu n SER 4 N -2.71 6.97 -0.66 4.36 7.64 -1.26 -4.99 113.62 122.97 2jpu n SER 4 Ca 0.07 -3.40 0.08 0.00 1.01 0.00 0.00 58.87 56.63 2jpu n SER 4 Cb 0.60 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2jpu n SER 4 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jpu n THR 5 N -0.01 -0.07 0.25 0.44 -2.24 -1.26 -2.75 114.28 108.64 2jpu n THR 5 Ca 0.47 0.26 0.18 0.00 -2.27 0.00 0.00 64.05 62.68 2jpu n THR 5 Cb 0.55 -0.48 0.89 0.00 -2.10 0.00 0.00 70.33 69.19 2jpu n THR 5 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jpu h SER 6 N -0.63 0.00 0.42 3.42 0.02 -1.97 -1.00 113.55 113.80 2jpu h SER 6 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2jpu h SER 6 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2jpu h SER 6 CO 0.02 0.00 -0.20 0.00 -1.14 0.00 0.00 176.83 175.51 2jpu h ALA 7 N 1.71 -0.56 0.00 3.77 0.00 -1.83 0.24 119.26 122.59 2jpu h ALA 7 Ca 0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2jpu h ALA 7 Cb 0.47 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2jpu h ALA 7 CO -0.00 -0.78 -0.75 0.93 0.00 0.00 0.00 179.25 178.65 2jpu h GLU 8 N -0.63 0.00 0.16 0.00 5.08 -1.24 -2.32 114.58 115.64 2jpu h GLU 8 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jpu h GLU 8 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jpu h GLU 8 CO 0.09 0.75 -0.16 0.28 -1.00 0.00 0.00 179.01 178.98 2jpu h VAL 9 N 0.00 0.64 -0.52 3.13 2.07 -1.07 0.16 116.25 120.67 2jpu h VAL 9 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2jpu h VAL 9 Cb 1.47 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2jpu h VAL 9 CO 0.10 0.00 0.16 1.88 0.02 0.00 0.00 177.57 179.73 2jpu h TYR 10 N -0.35 0.78 -0.70 1.57 0.05 -0.56 -1.87 116.97 115.90 2jpu h TYR 10 Ca 0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2jpu h TYR 10 Cb 0.33 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2jpu h TYR 10 CO -0.14 0.64 0.42 -0.92 -1.05 0.00 0.00 178.16 177.11 2jpu h TYR 11 N 0.75 0.92 -0.70 4.88 3.20 -1.08 -1.18 116.97 123.76 2jpu h TYR 11 Ca 0.17 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2jpu h TYR 11 Cb 0.23 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2jpu h TYR 11 CO 0.01 0.62 0.24 1.49 -1.64 0.00 0.00 178.16 178.89 2jpu h GLU 12 N 0.95 1.07 -0.88 1.82 4.81 -0.06 -0.11 114.58 122.17 2jpu h GLU 12 Ca 0.25 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2jpu h GLU 12 Cb -0.03 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 2jpu h GLU 12 CO -0.05 0.91 0.58 0.93 -0.73 0.00 0.00 179.01 180.65 2jpu h GLU 13 N 1.01 1.12 -0.59 1.92 5.08 -0.97 0.38 114.58 122.54 2jpu h GLU 13 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2jpu h GLU 13 Cb 0.26 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2jpu h GLU 13 CO -0.01 0.74 0.33 0.00 -1.00 0.00 0.00 179.01 179.08 2jpu h ALA 14 N 1.34 0.76 -0.30 3.43 0.00 -0.55 0.26 119.26 124.19 2jpu h ALA 14 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jpu h ALA 14 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2jpu h ALA 14 CO -0.09 0.27 -0.05 0.93 0.00 0.00 0.00 179.25 180.31 2jpu h GLU 15 N 0.80 0.48 -0.31 0.00 4.39 -0.27 0.17 114.58 119.84 2jpu h GLU 15 Ca 0.21 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 2jpu h GLU 15 Cb 0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jpu h GLU 15 CO -0.04 0.55 -0.40 0.93 -1.16 0.00 0.00 179.01 178.90 2jpu h GLU 16 N 0.46 0.73 0.00 2.33 4.39 0.65 0.14 114.58 123.29 2jpu h GLU 16 Ca 0.09 -0.38 -0.14 0.00 0.34 0.00 0.00 59.36 59.27 2jpu h GLU 16 Cb 0.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2jpu h GLU 16 CO 0.02 1.00 -0.67 0.74 -1.16 0.00 0.00 179.01 178.93 2jpu h PHE 17 N 0.60 0.00 -0.15 4.33 0.04 -0.11 -0.83 116.94 120.82 2jpu h PHE 17 Ca 0.05 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 2jpu h PHE 17 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2jpu h PHE 17 CO 0.05 0.67 -0.39 1.25 -0.60 0.00 0.00 178.31 179.29 2jpu h LEU 18 N 0.00 0.33 -1.07 1.54 5.85 -0.43 -0.57 115.31 120.96 2jpu h LEU 18 Ca -0.01 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 2jpu h LEU 18 Cb 1.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2jpu h LEU 18 CO 0.09 0.70 -0.42 -1.28 -0.34 0.00 0.00 178.44 177.18 2jpu h SER 19 N 0.27 0.00 -0.05 1.25 0.87 -0.36 -2.95 113.55 112.58 2jpu h SER 19 Ca 0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2jpu h SER 19 Cb 0.81 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2jpu h SER 19 CO 0.06 0.42 -0.04 0.50 -0.53 0.00 0.00 176.83 177.25 2jpu h LYS 20 N 0.00 0.12 0.00 2.24 1.63 -0.53 -3.48 116.57 116.55 2jpu h LYS 20 Ca -0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2jpu h LYS 20 Cb 0.83 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2jpu h LYS 20 CO 0.06 0.53 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 2jpu n GLY 21 N 0.11 1.96 3.04 5.01 0.00 -0.28 -5.09 105.19 109.94 2jpu n GLY 21 Ca -0.07 0.00 -0.24 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 -1.96 1.72 0.15 1.61 2.15 -0.92 -5.02 116.67 114.42 2jpu s ASP 22 Ca 0.00 -0.28 0.19 0.00 0.43 0.00 0.00 52.55 52.89 2jpu s ASP 22 Cb 0.00 -0.64 -0.04 0.00 -0.30 0.00 0.00 42.92 41.93 2jpu s ASP 22 CO 0.00 0.07 1.00 -0.07 -0.17 0.00 0.00 175.17 176.00 2jpu h LEU 23 N 6.66 0.00 0.28 -1.34 3.38 -1.90 -3.27 115.31 119.11 2jpu h LEU 23 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2jpu h LEU 23 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jpu h LEU 23 CO 0.48 0.32 -0.13 0.58 0.09 0.00 0.00 178.44 179.77 2jpu h VAL 24 N 0.00 0.76 -0.24 1.22 2.07 -1.92 0.18 116.25 118.33 2jpu h VAL 24 Ca -0.08 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2jpu h VAL 24 Cb 1.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2jpu h VAL 24 CO 0.03 0.10 -0.24 1.56 0.02 0.00 0.00 177.57 179.04 2jpu h GLN 25 N -0.63 0.45 -0.13 1.57 4.20 -1.95 -2.85 115.11 115.76 2jpu h GLN 25 Ca -0.04 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2jpu h GLN 25 Cb 0.45 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2jpu h GLN 25 CO 0.06 0.66 -0.00 0.00 -0.67 0.00 0.00 178.83 178.88 2jpu h ALA 26 N 1.35 0.18 -0.85 3.87 0.00 -1.58 -3.11 119.26 119.13 2jpu h ALA 26 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jpu h ALA 26 Cb 0.63 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2jpu h ALA 26 CO 0.05 -0.12 0.56 0.00 0.00 0.00 0.00 179.25 179.73 2jpu h GLU 28 N 0.94 0.94 -0.04 0.00 4.57 -1.45 0.70 114.58 120.24 2jpu h GLU 28 Ca 0.37 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 58.29 2jpu h GLU 28 Cb 0.24 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2jpu h GLU 28 CO -0.14 0.62 -0.85 0.87 -1.18 0.00 0.00 179.01 178.34 2jpu h LYS 29 N 0.97 0.42 -0.43 1.92 6.56 -1.16 -1.88 116.57 122.96 2jpu h LYS 29 Ca 0.28 -0.40 0.01 0.00 -1.06 0.00 0.00 60.65 59.48 2jpu h LYS 29 Cb -0.07 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 2jpu h LYS 29 CO -0.08 1.05 0.27 1.88 -2.06 0.00 0.00 179.45 180.52 2jpu h TYR 30 N 0.26 0.52 -0.13 -1.35 0.05 -0.47 0.89 116.97 116.74 2jpu h TYR 30 Ca -0.06 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2jpu h TYR 30 Cb 1.46 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 2jpu h TYR 30 CO 0.05 0.32 0.07 -0.92 -1.05 0.00 0.00 178.16 176.63 2jpu h TYR 31 N 0.56 0.19 -0.18 4.88 3.20 -0.80 -2.54 116.97 122.27 2jpu h TYR 31 Ca 0.16 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 2jpu h TYR 31 Cb -0.04 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2jpu h TYR 31 CO -0.05 0.21 -0.29 0.87 -1.64 0.00 0.00 178.16 177.26 2jpu h LYS 32 N 0.11 0.35 -0.96 1.82 1.79 -1.17 0.55 116.57 119.06 2jpu h LYS 32 Ca 0.05 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2jpu h LYS 32 Cb 0.09 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 2jpu h LYS 32 CO -0.01 0.61 0.63 0.00 -1.08 0.00 0.00 179.45 179.61 2jpu h ALA 33 N 1.39 1.33 -0.12 3.86 0.00 -0.66 0.10 119.26 125.17 2jpu h ALA 33 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2jpu h ALA 33 Cb 0.67 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jpu h ALA 33 CO 0.05 0.62 -0.54 0.00 0.00 0.00 0.00 179.25 179.38 2jpu h ALA 34 N 1.41 0.22 -0.76 0.00 0.00 -0.97 -2.98 119.26 116.18 2jpu h ALA 34 Ca 0.36 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 34 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jpu h ALA 34 CO -0.08 0.44 0.44 1.49 0.00 0.00 0.00 179.25 181.53 2jpu h GLU 35 N 0.20 1.05 -0.36 0.00 4.81 -0.49 -0.27 114.58 119.53 2jpu h GLU 35 Ca -0.03 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2jpu h GLU 35 Cb 1.18 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2jpu h GLU 35 CO 0.11 0.76 0.12 0.93 -0.73 0.00 0.00 179.01 180.20 2jpu h GLU 36 N 1.05 0.26 -0.24 1.92 4.39 -0.86 -2.60 114.58 118.50 2jpu h GLU 36 Ca 0.27 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2jpu h GLU 36 Cb -0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jpu h GLU 36 CO -0.05 0.17 0.11 0.00 -1.16 0.00 0.00 179.01 178.09 2jpu h ALA 37 N 1.24 0.31 -0.28 3.43 0.00 -1.23 -2.81 119.26 119.91 2jpu h ALA 37 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jpu h ALA 37 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2jpu h ALA 37 CO -0.18 -0.13 -0.07 0.82 0.00 0.00 0.00 179.25 179.69 2jpu h ILE 38 N 0.25 0.72 -0.70 0.00 1.08 -0.83 -0.56 117.51 117.47 2jpu h ILE 38 Ca 0.08 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2jpu h ILE 38 Cb 0.12 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 2jpu h ILE 38 CO -0.01 0.00 0.25 0.07 -0.69 0.00 0.00 178.15 177.77 2jpu h LYS 39 N -0.00 1.06 -0.42 2.37 2.10 -1.45 -0.90 116.57 119.33 2jpu h LYS 39 Ca 0.13 -0.21 0.04 0.00 -2.00 0.00 0.00 60.65 58.62 2jpu h LYS 39 Cb 0.20 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 31.33 2jpu h LYS 39 CO -0.29 0.90 0.18 -0.07 -2.00 0.00 0.00 179.45 178.18 2jpu h LEU 40 N 1.01 0.24 -1.03 7.07 4.07 -1.13 -1.80 115.31 123.74 2jpu h LEU 40 Ca 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 2jpu h LEU 40 Cb 0.25 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2jpu h LEU 40 CO -0.01 0.18 0.01 -0.07 -1.08 0.00 0.00 178.44 177.47 2jpu h LEU 41 N 0.38 0.68 -1.03 1.67 4.07 -0.60 -2.38 115.31 118.08 2jpu h LEU 41 Ca 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2jpu h LEU 41 Cb 0.13 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 2jpu h LEU 41 CO -0.16 0.74 0.31 0.58 -1.08 0.00 0.00 178.44 178.83 2jpu h VAL 42 N 0.67 1.23 0.10 1.22 2.07 -0.69 -1.94 116.25 118.92 2jpu h VAL 42 Ca 0.14 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2jpu h VAL 42 Cb 0.40 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2jpu h VAL 42 CO 0.01 0.28 -0.05 0.40 0.02 0.00 0.00 177.57 178.23 2jpu h ILE 43 N 0.99 1.05 -0.27 4.57 1.08 -0.83 -1.26 117.51 122.84 2jpu h ILE 43 Ca 0.24 -0.57 -0.15 0.00 -0.39 0.00 0.00 64.86 63.99 2jpu h ILE 43 Cb 0.13 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2jpu h ILE 43 CO -0.03 0.14 -0.44 1.05 -0.69 0.00 0.00 178.15 178.18 2jpu h GLU 44 N -0.40 0.68 0.00 2.37 4.11 -1.43 -2.32 114.58 117.59 2jpu h GLU 44 Ca -0.01 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2jpu h GLU 44 Cb 0.33 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jpu h GLU 44 CO 0.02 0.98 0.00 0.09 0.07 0.00 0.00 179.01 180.18 2jpu n ASN 45 N -4.02 0.55 -3.08 3.06 3.02 -0.73 -4.96 115.26 109.10 2jpu n ASN 45 Ca -0.02 0.58 -0.07 0.00 -0.03 0.00 0.00 54.58 55.04 2jpu n ASN 45 Cb 0.55 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 39.01 2jpu n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jpu n ASN 46 N -2.04 -7.49 -4.44 6.41 5.15 -0.51 -4.91 115.26 107.43 2jpu n ASN 46 Ca 0.05 0.04 -0.44 0.00 -0.60 0.00 0.00 54.58 53.62 2jpu n ASN 46 Cb 0.34 -4.85 -0.02 0.00 -0.53 0.00 0.00 39.78 34.72 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 -3.58 5.23 0.26 1.20 1.43 -1.00 -4.86 118.68 117.36 2jpu s LEU 47 Ca 0.10 -2.43 -0.04 0.00 -1.03 0.00 0.00 54.13 50.73 2jpu s LEU 47 Cb -0.02 -2.38 0.36 0.00 0.03 0.00 0.00 46.19 44.18 2jpu s LEU 47 CO 0.78 -0.91 1.90 0.50 0.23 0.00 0.00 176.35 178.85 2jpu h LYS 48 N 8.18 1.21 -0.55 1.70 3.11 -1.91 -0.68 116.57 127.63 2jpu h LYS 48 Ca 0.20 -0.07 0.10 0.00 -2.81 0.00 0.00 60.65 58.07 2jpu h LYS 48 Cb 0.98 -0.27 -0.03 0.00 -1.00 0.00 0.00 32.23 31.90 2jpu h LYS 48 CO 1.12 0.80 0.37 1.49 -2.81 0.00 0.00 179.45 180.42 2jpu h GLU 49 N 1.24 0.31 0.00 1.90 4.81 -1.99 -1.29 114.58 119.56 2jpu h GLU 49 Ca 0.41 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.41 2jpu h GLU 49 Cb 0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2jpu h GLU 49 CO -0.14 0.21 -1.17 0.82 -0.73 0.00 0.00 179.01 178.00 2jpu h ILE 50 N 0.32 0.93 0.00 2.32 1.08 -1.60 -3.32 117.51 117.25 2jpu h ILE 50 Ca 0.26 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 2jpu h ILE 50 Cb 0.58 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2jpu h ILE 50 CO -0.06 0.32 0.00 0.71 -0.69 0.00 0.00 178.15 178.43 2jpu h THR 51 N -1.00 0.00 0.00 -0.27 1.35 -1.06 0.27 112.91 112.19 2jpu h THR 51 Ca -0.32 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2jpu h THR 51 Cb 1.26 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2jpu h THR 51 CO -0.19 0.00 -0.40 -0.55 -0.25 0.00 0.00 175.52 174.13 2jpu h ASN 52 N 0.00 0.00 0.09 5.36 7.08 -1.43 -3.24 115.58 123.44 2jpu h ASN 52 Ca 0.00 -0.01 -0.35 0.00 -3.08 0.00 0.00 56.30 52.86 2jpu h ASN 52 Cb 0.57 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.78 2jpu h ASN 52 CO 0.00 0.01 -1.94 -3.20 -2.08 0.00 0.00 177.43 170.22 2jpu n ASN 53 N -2.85 2.07 0.27 6.14 5.15 -0.23 -3.94 115.26 121.88 2jpu n ASN 53 Ca 0.03 0.22 0.18 0.00 -0.60 0.00 0.00 54.58 54.40 2jpu n ASN 53 Cb 0.53 -0.84 0.79 0.00 -0.53 0.00 0.00 39.78 39.73 2jpu n ASN 53 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2jpu h VAL 54 N -0.14 0.00 0.00 3.44 2.07 -0.70 -2.37 116.25 118.55 2jpu h VAL 54 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2jpu h VAL 54 Cb 1.90 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2jpu h VAL 54 CO 0.01 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.77 2jpu n LYS 55 N -2.94 0.15 0.18 1.57 3.00 -1.22 -0.50 118.16 118.41 2jpu n LYS 55 Ca -0.00 0.49 0.06 0.00 -0.00 0.00 0.00 58.31 58.87 2jpu n LYS 55 Cb 0.22 -1.86 0.25 0.00 0.00 0.00 0.00 35.03 33.64 2jpu n LYS 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2jpu h ASN 56 N 0.00 0.00 -2.08 3.14 -1.24 -1.64 -3.45 115.58 110.32 2jpu h ASN 56 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2jpu h ASN 56 Cb 0.21 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 2jpu h ASN 56 CO 0.00 0.35 -0.49 -0.54 -1.29 0.00 0.00 177.43 175.46 2jpu s LYS 57 N -3.35 2.92 0.00 6.67 -0.14 0.35 -5.01 119.74 121.18 2jpu s LYS 57 Ca 0.02 -1.09 0.25 0.00 -1.36 0.00 0.00 55.97 53.79 2jpu s LYS 57 Cb 0.09 -2.58 0.51 0.00 -1.68 0.00 0.00 37.83 34.17 2jpu s LYS 57 CO 0.69 0.30 1.43 0.41 -0.76 0.00 0.00 175.35 177.42 2jpu n GLY 58 N -1.28 0.21 3.16 -3.33 0.00 -1.26 -4.91 105.19 97.78 2jpu n GLY 58 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.19 0.50 -0.14 1.61 6.06 -1.26 -5.11 118.95 118.42 2jpu s ARG 59 Ca 0.28 -0.14 -0.29 0.00 -2.50 0.00 0.00 55.73 53.08 2jpu s ARG 59 Cb 0.20 0.22 -0.05 0.00 0.06 0.00 0.00 34.95 35.37 2jpu s ARG 59 CO 0.41 -0.12 1.88 -1.58 -2.50 0.00 0.00 175.30 173.39 2jpu s TRP 60 N -0.98 1.60 0.32 5.12 0.52 -1.26 -4.96 118.94 119.30 2jpu s TRP 60 Ca -0.11 0.24 -0.10 0.00 0.02 0.00 0.00 56.10 56.15 2jpu s TRP 60 Cb -0.05 -4.04 -0.07 0.00 -1.15 0.00 0.00 33.47 28.16 2jpu s TRP 60 CO 0.02 -4.04 0.66 -1.59 0.02 0.00 0.00 176.95 172.02 2jpu s LYS 61 N 5.05 3.80 0.27 4.98 -2.85 -1.26 -4.97 119.74 124.77 2jpu s LYS 61 Ca 0.84 0.37 -0.02 0.00 -1.00 0.00 0.00 55.97 56.16 2jpu s LYS 61 Cb -0.32 -2.51 0.60 0.00 -2.06 0.00 0.00 37.83 33.53 2jpu s LYS 61 CO 0.34 0.14 1.63 0.77 0.10 0.00 0.00 175.35 178.34 2jpu h SER 62 N 1.88 -0.23 -0.96 0.03 0.02 -2.01 -1.90 113.55 110.39 2jpu h SER 62 Ca -0.47 0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2jpu h SER 62 Cb 1.18 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 2jpu h SER 62 CO 0.66 -0.20 0.63 1.05 -1.14 0.00 0.00 176.83 177.83 2jpu h GLU 63 N 0.13 1.19 0.00 3.45 4.11 -2.02 -1.73 114.58 119.72 2jpu h GLU 63 Ca 0.50 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.78 2jpu h GLU 63 Cb 0.96 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jpu h GLU 63 CO -0.70 0.79 -0.35 -0.91 0.07 0.00 0.00 179.01 177.91 2jpu h ASN 64 N 1.23 0.00 0.19 3.06 2.35 -1.74 -2.66 115.58 118.01 2jpu h ASN 64 Ca 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2jpu h ASN 64 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2jpu h ASN 64 CO -0.11 0.35 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.86 2jpu h LEU 65 N 0.00 -0.21 -0.36 1.61 3.38 -1.23 0.13 115.31 118.63 2jpu h LEU 65 Ca -0.00 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2jpu h LEU 65 Cb 1.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jpu h LEU 65 CO 0.05 -0.04 -0.56 2.19 0.09 0.00 0.00 178.44 180.17 2jpu h PHE 66 N -0.38 0.00 -0.29 1.13 -5.15 -1.62 -2.90 116.94 107.74 2jpu h PHE 66 Ca -0.03 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.72 2jpu h PHE 66 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.45 2jpu h PHE 66 CO -0.03 0.56 0.10 -0.22 -2.00 0.00 0.00 178.31 176.72 2jpu h LYS 67 N 0.00 0.44 -0.24 6.09 3.11 -1.24 -1.88 116.57 122.85 2jpu h LYS 67 Ca -0.01 -0.09 -0.10 0.00 -2.81 0.00 0.00 60.65 57.64 2jpu h LYS 67 Cb 1.28 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2jpu h LYS 67 CO 0.07 0.49 -0.26 0.00 -2.81 0.00 0.00 179.45 176.95 2jpu h ALA 68 N 0.93 0.35 -0.23 5.00 0.00 -1.01 -3.00 119.26 121.30 2jpu h ALA 68 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jpu h ALA 68 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jpu h ALA 68 CO -0.00 0.34 0.15 0.77 0.00 0.00 0.00 179.25 180.50 2jpu h SER 69 N 0.30 0.27 0.30 0.00 0.02 -1.45 -0.83 113.55 112.15 2jpu h SER 69 Ca 0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2jpu h SER 69 Cb 0.82 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2jpu h SER 69 CO 0.06 0.20 -0.15 0.50 -1.14 0.00 0.00 176.83 176.30 2jpu h LYS 70 N 0.31 -0.39 -0.42 3.45 3.64 -1.26 -3.01 116.57 118.90 2jpu h LYS 70 Ca 0.08 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2jpu h LYS 70 Cb -0.03 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2jpu h LYS 70 CO -0.02 -0.16 0.28 -0.07 -2.27 0.00 0.00 179.45 177.21 2jpu h LEU 71 N -0.56 0.40 0.00 5.20 3.38 -1.23 -1.68 115.31 120.81 2jpu h LEU 71 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jpu h LEU 71 Cb 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2jpu h LEU 71 CO 0.07 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.05 2jpu n LEU 72 N -4.48 0.00 0.23 1.67 4.77 -0.39 -2.39 117.00 116.41 2jpu n LEU 72 Ca 0.04 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2jpu n LEU 72 Cb 0.14 -0.11 0.73 0.00 -2.33 0.00 0.00 43.42 41.84 2jpu n LEU 72 CO 0.35 -0.07 1.11 -0.09 -1.33 0.00 0.00 177.39 177.36 2jpu h ARG 73 N 0.00 0.00 -0.16 3.23 2.43 -1.36 -0.52 114.38 118.00 2jpu h ARG 73 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jpu h ARG 73 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2jpu h ARG 73 CO 0.00 0.00 0.09 0.77 -1.51 0.00 0.00 179.97 179.32 2jpu h SER 74 N 0.00 0.18 0.00 -3.80 0.02 -1.72 -3.14 113.55 105.09 2jpu h SER 74 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2jpu h SER 74 Cb 0.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2jpu h SER 74 CO -0.00 0.15 -0.09 -1.13 -1.14 0.00 0.00 176.83 174.61 2jpu h ASN 75 N 0.22 0.00 -3.42 3.07 -0.73 -1.36 -3.47 115.58 109.89 2jpu h ASN 75 Ca 0.06 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.80 2jpu h ASN 75 Cb -0.00 0.00 -0.34 0.00 0.27 0.00 0.00 38.32 38.24 2jpu h ASN 75 CO -0.01 0.40 -0.78 0.21 -0.37 0.00 0.00 177.43 176.89 2jpu s ASN 76 N -4.90 1.15 0.54 1.15 3.84 -0.88 -5.03 114.94 110.81 2jpu s ASN 76 Ca -0.03 -0.15 0.29 0.00 0.21 0.00 0.00 52.86 53.19 2jpu s ASN 76 Cb 0.00 -0.50 1.52 0.00 -0.55 0.00 0.00 41.25 41.73 2jpu s ASN 76 CO 0.04 -0.07 2.10 0.00 -2.79 0.00 0.00 177.10 176.38 2jpu h THR 77 N 6.15 0.49 0.00 -5.21 1.03 -1.82 -2.23 112.91 111.33 2jpu h THR 77 Ca -0.35 -0.47 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 2jpu h THR 77 Cb 1.15 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 2jpu h THR 77 CO 0.44 0.10 -0.35 -0.62 -0.01 0.00 0.00 175.52 175.08 2jpu n GLU 78 N -3.58 0.24 0.02 0.00 1.02 -1.26 -4.26 120.64 112.82 2jpu n GLU 78 Ca -0.02 0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2jpu n GLU 78 Cb 0.22 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2jpu n GLU 78 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jpu h ILE 79 N 0.00 0.48 -0.39 -3.67 2.04 -1.71 0.19 117.51 114.44 2jpu h ILE 79 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2jpu h ILE 79 Cb 0.71 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2jpu h ILE 79 CO 0.00 0.00 0.28 1.55 0.00 0.00 0.00 178.15 179.98 2jpu h PRO 80 N -0.29 0.07 -0.05 2.37 0.13 -1.72 -1.46 132.00 131.04 2jpu h PRO 80 Ca 0.09 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.01 2jpu h PRO 80 Cb 0.42 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.55 2jpu h PRO 80 CO -0.26 0.04 -0.77 0.82 -0.23 0.00 0.00 178.00 177.60 2jpu h ILE 81 N 0.07 1.33 -0.08 -3.56 2.04 -1.31 -1.19 117.51 114.80 2jpu h ILE 81 Ca 0.18 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 64.00 2jpu h ILE 81 Cb 0.65 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 2jpu h ILE 81 CO -0.01 0.63 -0.00 -0.07 0.00 0.00 0.00 178.15 178.69 2jpu h LEU 82 N 0.24 -0.03 -0.52 1.44 3.38 0.28 -1.91 115.31 118.19 2jpu h LEU 82 Ca -0.08 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2jpu h LEU 82 Cb 1.43 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2jpu h LEU 82 CO 0.15 -0.00 -0.23 -0.25 0.09 0.00 0.00 178.44 178.20 2jpu h TRP 83 N 0.03 1.10 -0.29 1.13 2.91 -1.42 -2.83 115.95 116.57 2jpu h TRP 83 Ca 0.04 -0.27 0.07 0.00 1.13 0.00 0.00 58.89 59.86 2jpu h TRP 83 Cb 0.05 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 28.36 2jpu h TRP 83 CO -0.12 1.08 -0.24 -0.22 -1.03 0.00 0.00 178.44 177.91 2jpu h LYS 84 N 0.82 -0.22 -0.41 2.65 3.64 -0.82 0.65 116.57 122.89 2jpu h LYS 84 Ca 0.10 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2jpu h LYS 84 Cb 0.80 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2jpu h LYS 84 CO 0.07 -0.15 0.18 0.77 -2.27 0.00 0.00 179.45 178.05 2jpu h SER 85 N -0.23 0.55 -0.41 4.20 0.02 -1.35 -1.66 113.55 114.67 2jpu h SER 85 Ca 0.15 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2jpu h SER 85 Cb 0.47 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jpu h SER 85 CO -0.43 0.56 -0.09 0.00 -1.14 0.00 0.00 176.83 175.73 2jpu h ALA 86 N 1.02 0.57 -0.85 3.77 0.00 -1.13 -2.87 119.26 119.77 2jpu h ALA 86 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jpu h ALA 86 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jpu h ALA 86 CO -0.01 0.43 0.54 2.35 0.00 0.00 0.00 179.25 182.56 2jpu h TRP 87 N 0.61 1.10 -0.60 0.00 -0.00 0.36 -2.03 115.95 115.39 2jpu h TRP 87 Ca 0.11 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.04 2jpu h TRP 87 Cb 0.61 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 29.37 2jpu h TRP 87 CO 0.05 0.71 0.40 1.15 -0.00 0.00 0.00 178.44 180.75 2jpu h THR 88 N 1.16 1.08 0.00 2.65 2.02 -1.11 -0.33 112.91 118.39 2jpu h THR 88 Ca 0.31 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 2jpu h THR 88 Cb -0.09 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2jpu h THR 88 CO -0.06 0.13 -0.43 -0.07 0.37 0.00 0.00 175.52 175.46 2jpu h LEU 89 N 0.71 0.00 0.15 2.58 3.38 -1.16 -0.08 115.31 120.89 2jpu h LEU 89 Ca 0.24 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.90 2jpu h LEU 89 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jpu h LEU 89 CO -0.06 0.43 -1.48 -0.74 0.09 0.00 0.00 178.44 176.68 2jpu h HIS 90 N 0.00 0.59 0.29 1.13 2.76 -1.02 -2.89 115.15 116.01 2jpu h HIS 90 Ca -0.00 -0.43 -0.01 0.00 -2.20 0.00 0.00 60.37 57.72 2jpu h HIS 90 Cb 0.78 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2jpu h HIS 90 CO 0.00 1.43 -0.14 0.28 -1.30 0.00 0.00 177.93 178.20 2jpu h VAL 91 N 0.09 0.48 -0.59 5.26 2.07 -1.01 -3.28 116.25 119.27 2jpu h VAL 91 Ca -0.23 -0.84 -0.40 0.00 0.82 0.00 0.00 66.70 66.05 2jpu h VAL 91 Cb 2.04 0.79 -0.17 0.00 -1.52 0.00 0.00 31.29 32.43 2jpu h VAL 91 CO 0.20 0.12 0.52 -0.62 0.02 0.00 0.00 177.57 177.80 2jpu n GLU 92 N -5.04 1.99 -2.64 1.57 -0.58 -0.05 -3.85 120.64 112.03 2jpu n GLU 92 Ca -0.08 -1.93 -0.02 0.00 -0.42 0.00 0.00 57.16 54.71 2jpu n GLU 92 Cb 0.25 -1.76 0.12 0.00 -0.57 0.00 0.00 31.44 29.48 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jpu n GLY 93 N 0.08 2.01 0.13 0.62 0.00 -1.09 -4.79 105.19 102.15 2jpu n GLY 93 Ca 0.37 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.47 0.35 0.00 1.61 7.35 -1.25 -4.74 117.46 119.31 2jpu n PHE 94 Ca -0.17 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2jpu n PHE 94 Cb 0.87 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.66 2jpu n PHE 94 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2jpu n HIS 95 N -4.00 0.00 -3.50 -5.13 8.25 -1.26 -4.89 115.22 104.68 2jpu n HIS 95 Ca -0.46 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.73 2jpu n HIS 95 Cb 0.88 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.89 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2jpu n GLU 96 N -0.32 0.61 -4.00 -0.41 0.00 -1.26 -5.04 120.64 110.22 2jpu n GLU 96 Ca 0.00 -3.50 -0.31 0.00 0.00 0.00 0.00 57.16 53.35 2jpu n GLU 96 Cb 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 31.44 29.48 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jpu s LEU 97 N -0.37 3.80 0.00 4.31 2.01 -1.26 -4.95 118.68 122.21 2jpu s LEU 97 Ca 0.31 -1.72 0.25 0.00 0.01 0.00 0.00 54.13 52.99 2jpu s LEU 97 Cb 0.03 -1.48 1.16 0.00 0.01 0.00 0.00 46.19 45.91 2jpu s LEU 97 CO -0.19 -0.30 1.82 -1.20 1.01 0.00 0.00 176.35 177.50 2jpu n SER 98 N 4.42 0.00 -0.39 2.29 7.64 -1.26 -4.87 113.62 121.44 2jpu n SER 98 Ca -0.05 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2jpu n SER 98 Cb 0.42 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.40 0.00 -4.16 -3.43 4.77 -1.26 -4.82 117.00 106.69 2jpu n LEU 99 Ca 0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 2jpu n LEU 99 Cb 0.25 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2jpu n LEU 99 CO 0.21 -0.88 -0.45 0.20 -1.33 0.00 0.00 177.39 175.14 2jpu s ASN 100 N -4.00 1.60 0.18 -1.43 0.01 -1.26 -5.04 114.94 105.01 2jpu s ASN 100 Ca 0.00 -0.62 -0.03 0.00 -0.71 0.00 0.00 52.86 51.50 2jpu s ASN 100 Cb 0.00 -0.04 0.08 0.00 0.41 0.00 0.00 41.25 41.70 2jpu s ASN 100 CO 0.00 -0.09 1.47 -0.08 -1.51 0.00 0.00 177.10 176.89 2jpu h GLU 101 N 4.27 0.53 -0.98 -0.60 4.81 -2.00 -3.08 114.58 117.53 2jpu h GLU 101 Ca -0.40 -0.36 0.14 0.00 -0.13 0.00 0.00 59.36 58.60 2jpu h GLU 101 Cb 1.19 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.54 2jpu h GLU 101 CO 0.41 0.98 0.62 -0.22 -0.73 0.00 0.00 179.01 180.06 2jpu h LYS 102 N 0.39 0.87 0.06 1.92 3.11 -2.01 -1.33 116.57 119.58 2jpu h LYS 102 Ca -0.01 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.54 2jpu h LYS 102 Cb 1.17 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 2jpu h LYS 102 CO 0.11 0.58 -1.12 0.93 -2.81 0.00 0.00 179.45 177.14 2jpu h GLU 103 N 0.90 0.12 -0.27 1.90 5.08 -1.99 -3.22 114.58 117.10 2jpu h GLU 103 Ca 0.50 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2jpu h GLU 103 Cb 0.60 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2jpu h GLU 103 CO -0.27 1.09 -0.01 0.28 -1.00 0.00 0.00 179.01 179.09 2jpu h VAL 104 N 0.03 1.17 -0.97 3.13 2.07 -1.19 -0.92 116.25 119.58 2jpu h VAL 104 Ca -0.07 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2jpu h VAL 104 Cb 1.86 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2jpu h VAL 104 CO 0.16 0.23 0.63 0.11 0.02 0.00 0.00 177.57 178.72 2jpu h LYS 105 N 0.40 1.16 -0.02 1.57 1.57 -1.34 -1.04 116.57 118.86 2jpu h LYS 105 Ca 0.09 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2jpu h LYS 105 Cb 0.29 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2jpu h LYS 105 CO 0.01 0.77 -0.42 0.87 -0.57 0.00 0.00 179.45 180.11 2jpu h LYS 106 N 1.20 0.31 -0.60 3.15 1.79 -1.47 -3.29 116.57 117.65 2jpu h LYS 106 Ca 0.40 -0.31 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 2jpu h LYS 106 Cb 0.05 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 2jpu h LYS 106 CO -0.14 1.00 0.40 -0.07 -1.08 0.00 0.00 179.45 179.56 2jpu h LEU 107 N -0.25 0.49 -0.73 2.94 -0.00 -0.91 -2.13 115.31 114.71 2jpu h LEU 107 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.89 2jpu h LEU 107 Cb 1.13 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.64 2jpu h LEU 107 CO 0.08 0.31 0.43 0.50 -0.00 0.00 0.00 178.44 179.77 2jpu h LYS 108 N 0.55 0.77 -0.19 1.13 3.64 -1.26 0.17 116.57 121.39 2jpu h LYS 108 Ca 0.26 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2jpu h LYS 108 Cb 0.33 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2jpu h LYS 108 CO -0.08 0.51 -0.33 1.49 -2.27 0.00 0.00 179.45 178.77 2jpu h GLU 109 N 0.80 0.55 0.46 1.90 4.81 -1.53 -2.15 114.58 119.42 2jpu h GLU 109 Ca 0.32 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2jpu h GLU 109 Cb 0.16 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jpu h GLU 109 CO -0.17 0.96 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.37 2jpu h ASP 110 N 0.21 -0.63 -0.88 1.04 3.32 -1.08 -0.35 116.42 118.05 2jpu h ASP 110 Ca 0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2jpu h ASP 110 Cb 0.92 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 2jpu h ASP 110 CO 0.08 -0.42 0.52 0.58 -1.72 0.00 0.00 179.24 178.28 2jpu h VAL 111 N -0.67 1.25 -0.20 -1.35 2.07 -0.77 -2.47 116.25 114.10 2jpu h VAL 111 Ca -0.06 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 2jpu h VAL 111 Cb 0.54 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2jpu h VAL 111 CO 0.07 0.27 -0.41 -0.09 0.02 0.00 0.00 177.57 177.43 2jpu h ARG 112 N 1.23 0.47 -0.02 1.57 2.43 -1.13 0.76 114.38 119.69 2jpu h ARG 112 Ca 0.32 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2jpu h ARG 112 Cb -0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2jpu h ARG 112 CO -0.06 0.80 -0.23 0.87 -1.51 0.00 0.00 179.97 179.84 2jpu h LYS 113 N 0.39 0.03 -0.03 0.20 1.57 -0.63 0.29 116.57 118.39 2jpu h LYS 113 Ca 0.03 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2jpu h LYS 113 Cb 0.88 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.20 2jpu h LYS 113 CO 0.07 0.26 -0.66 1.25 -0.57 0.00 0.00 179.45 179.80 2jpu h LEU 114 N 0.03 0.63 -0.66 2.94 5.85 -1.00 -3.25 115.31 119.84 2jpu h LEU 114 Ca 0.00 -0.73 0.01 0.00 0.84 0.00 0.00 57.88 58.01 2jpu h LEU 114 Cb 0.42 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2jpu h LEU 114 CO 0.03 1.27 0.43 0.58 -0.34 0.00 0.00 178.44 180.42 2jpu h VAL 115 N 0.05 1.15 -0.82 1.05 2.07 -0.21 -2.34 116.25 117.20 2jpu h VAL 115 Ca -0.08 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.28 2jpu h VAL 115 Cb 1.35 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2jpu h VAL 115 CO 0.13 0.16 0.54 0.40 0.02 0.00 0.00 177.57 178.82 2jpu h ILE 116 N 0.88 0.83 -0.02 4.57 2.04 -0.50 -0.92 117.51 124.38 2jpu h ILE 116 Ca 0.25 -0.19 -0.24 0.00 1.00 0.00 0.00 64.86 65.67 2jpu h ILE 116 Cb -0.08 0.21 0.02 0.00 -0.74 0.00 0.00 36.82 36.23 2jpu h ILE 116 CO -0.06 0.10 -0.92 0.15 0.00 0.00 0.00 178.15 177.42 2jpu h PHE 117 N 0.57 0.97 -0.40 1.37 3.57 -1.47 0.43 116.94 121.98 2jpu h PHE 117 Ca 0.40 -0.51 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2jpu h PHE 117 Cb 0.75 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2jpu h PHE 117 CO -0.00 1.35 0.24 0.00 -2.23 0.00 0.00 178.31 177.66 2jpu h ALA 118 N 0.41 0.52 -0.39 2.41 0.00 -1.08 -1.53 119.26 119.59 2jpu h ALA 118 Ca -0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2jpu h ALA 118 Cb 1.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2jpu h ALA 118 CO 0.18 0.02 -0.14 0.28 0.00 0.00 0.00 179.25 179.59 2jpu h VAL 119 N 0.53 1.26 0.00 0.00 2.07 -1.18 -2.58 116.25 116.34 2jpu h VAL 119 Ca 0.14 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2jpu h VAL 119 Cb 0.02 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2jpu h VAL 119 CO -0.03 0.40 -0.07 -1.13 0.02 0.00 0.00 177.57 176.76 2jpu h ASN 120 N 0.64 0.00 0.07 0.57 -0.73 -0.35 0.67 115.58 116.45 2jpu h ASN 120 Ca 0.11 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 2jpu h ASN 120 Cb 0.60 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 2jpu h ASN 120 CO 0.04 0.07 -0.33 -1.28 -0.37 0.00 0.00 177.43 175.56 2jpu h SER 121 N 0.00 0.39 0.05 1.15 0.87 -0.87 -2.18 113.55 112.96 2jpu h SER 121 Ca -0.00 -0.15 -0.23 0.00 -1.23 0.00 0.00 61.79 60.18 2jpu h SER 121 Cb 0.20 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2jpu h SER 121 CO 0.01 0.70 -1.25 -0.07 -0.53 0.00 0.00 176.83 175.69 2jpu h LEU 122 N 0.33 0.16 -4.35 2.23 4.07 -1.29 -3.35 115.31 113.12 2jpu h LEU 122 Ca 0.04 -0.72 -0.40 0.00 0.08 0.00 0.00 57.88 56.88 2jpu h LEU 122 Cb 0.75 -0.05 -0.14 0.00 1.08 0.00 0.00 40.66 42.29 2jpu h LEU 122 CO 0.06 1.52 0.16 -0.62 -1.08 0.00 0.00 178.44 178.47 2jpu n GLU 123 N -4.19 2.27 0.00 1.13 1.02 0.10 -4.65 120.64 116.32 2jpu n GLU 123 Ca -0.27 -1.92 0.09 0.00 -0.02 0.00 0.00 57.16 55.04 2jpu n GLU 123 Cb 0.77 -2.09 0.56 0.00 -0.02 0.00 0.00 31.44 30.66 2jpu n GLU 123 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jpu n HIS 124 N 1.35 0.00 0.09 -0.32 -0.00 -0.82 -2.55 115.22 112.98 2jpu n HIS 124 Ca 0.47 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.58 2jpu n HIS 124 Cb 0.66 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.56 2jpu n HIS 124 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jpu h HIS 125 N 0.00 0.19 -3.45 1.57 6.17 -1.84 -3.41 115.15 114.39 2jpu h HIS 125 Ca 0.00 -0.10 -0.66 0.00 0.71 0.00 0.00 60.37 60.32 2jpu h HIS 125 Cb 0.00 -0.02 -0.27 0.00 2.52 0.00 0.00 27.41 29.63 2jpu h HIS 125 CO 0.00 0.89 -0.71 -3.38 0.71 0.00 0.00 177.93 175.44 2jpu s HIS 126 N -3.27 2.99 -0.09 5.26 -3.43 -1.06 -5.08 115.29 110.61 2jpu s HIS 126 Ca -0.02 -0.94 -0.01 0.00 -0.80 0.00 0.00 55.06 53.29 2jpu s HIS 126 Cb 0.11 -2.13 0.03 0.00 -1.43 0.00 0.00 32.58 29.16 2jpu s HIS 126 CO 0.81 -0.55 -0.01 -3.38 -2.00 0.00 0.00 174.74 169.62 2jpu s HIS 127 N 1.48 0.87 0.00 0.38 -3.43 -1.26 -4.82 115.29 108.51 2jpu s HIS 127 Ca 0.05 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 2jpu s HIS 127 Cb -0.15 -0.91 0.00 0.00 -1.43 0.00 0.00 32.58 30.09 2jpu s HIS 127 CO -0.02 -0.40 0.00 1.58 -2.00 0.00 0.00 174.74 173.90 2jpu n HIS 128 N 5.10 0.00 -0.75 0.38 -0.00 -1.26 -5.23 115.22 113.46 2jpu n HIS 128 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2jpu n HIS 128 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 2jpu n HIS 128 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41