#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 7.24 0.35 3.17 0.01 -1.26 -5.06 113.70 118.16 2jpu s SER 2 Ca 0.00 2.04 0.08 0.00 1.31 0.00 0.00 55.95 59.38 2jpu s SER 2 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2jpu s SER 2 CO 0.00 -0.15 0.13 0.27 0.41 0.00 0.00 173.24 173.91 2jpu s ILE 3 N -1.40 2.84 -0.36 1.44 -4.36 -1.26 -5.10 121.20 113.00 2jpu s ILE 3 Ca 0.48 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 2jpu s ILE 3 Cb -0.25 -2.95 0.19 0.00 1.25 0.00 0.00 42.46 40.70 2jpu s ILE 3 CO 0.31 -0.15 0.81 -0.55 0.24 0.00 0.00 174.94 175.60 2jpu s SER 4 N -3.84 -1.03 0.33 4.36 0.15 -1.26 -5.13 113.70 107.28 2jpu s SER 4 Ca 0.38 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.72 2jpu s SER 4 Cb -0.01 1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 65.66 2jpu s SER 4 CO 0.22 -0.13 0.37 0.42 1.20 0.00 0.00 173.24 175.32 2jpu s THR 5 N 2.11 3.91 0.26 6.45 -4.23 -1.26 -4.98 115.64 117.90 2jpu s THR 5 Ca 0.16 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2jpu s THR 5 Cb -0.02 -3.33 0.24 0.00 1.34 0.00 0.00 72.50 70.73 2jpu s THR 5 CO -0.13 -0.18 1.78 0.28 -0.54 0.00 0.00 174.62 175.82 2jpu h SER 6 N 1.11 0.61 0.37 3.99 0.02 -1.97 -1.36 113.55 116.32 2jpu h SER 6 Ca -0.46 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2jpu h SER 6 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jpu h SER 6 CO 0.56 0.29 -0.18 0.00 -1.14 0.00 0.00 176.83 176.36 2jpu h ALA 7 N 1.54 -0.50 -0.44 3.77 0.00 -1.92 -1.24 119.26 120.46 2jpu h ALA 7 Ca 0.46 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.32 2jpu h ALA 7 Cb 0.59 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2jpu h ALA 7 CO -0.33 -0.78 0.13 0.93 0.00 0.00 0.00 179.25 179.20 2jpu h GLU 8 N -0.50 0.28 0.38 0.00 4.39 -1.81 0.82 114.58 118.14 2jpu h GLU 8 Ca -0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2jpu h GLU 8 Cb 0.38 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2jpu h GLU 8 CO 0.08 0.18 -0.26 0.28 -1.16 0.00 0.00 179.01 178.13 2jpu h VAL 9 N 0.29 0.45 -0.28 3.13 2.07 -1.05 -0.40 116.25 120.45 2jpu h VAL 9 Ca 0.21 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.62 2jpu h VAL 9 Cb 0.23 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2jpu h VAL 9 CO -0.24 0.00 -0.29 1.88 0.02 0.00 0.00 177.57 178.94 2jpu h TYR 10 N -0.63 0.66 -0.29 1.57 0.05 -1.09 -1.70 116.97 115.53 2jpu h TYR 10 Ca -0.04 -0.16 -0.08 0.00 0.05 0.00 0.00 58.73 58.51 2jpu h TYR 10 Cb 0.53 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 2jpu h TYR 10 CO -0.12 0.80 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.70 2jpu h TYR 11 N 0.50 0.57 -0.28 4.88 3.20 -0.68 -1.24 116.97 123.91 2jpu h TYR 11 Ca 0.06 -0.10 -0.18 0.00 3.14 0.00 0.00 58.73 61.66 2jpu h TYR 11 Cb 0.75 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 2jpu h TYR 11 CO 0.03 0.67 -0.52 1.49 -1.64 0.00 0.00 178.16 178.19 2jpu h GLU 12 N 0.48 0.82 -0.27 1.82 4.81 -0.72 -2.58 114.58 118.94 2jpu h GLU 12 Ca 0.08 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 2jpu h GLU 12 Cb 0.57 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2jpu h GLU 12 CO 0.04 1.13 -0.05 0.93 -0.73 0.00 0.00 179.01 180.33 2jpu h GLU 13 N 0.63 0.42 -0.32 1.92 5.08 -0.95 0.41 114.58 121.77 2jpu h GLU 13 Ca 0.02 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jpu h GLU 13 Cb 1.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2jpu h GLU 13 CO 0.11 0.49 0.19 0.00 -1.00 0.00 0.00 179.01 178.80 2jpu h ALA 14 N 1.55 0.40 -0.72 3.43 0.00 -1.03 -0.38 119.26 122.52 2jpu h ALA 14 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jpu h ALA 14 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jpu h ALA 14 CO 0.02 -0.16 0.40 0.93 0.00 0.00 0.00 179.25 180.44 2jpu h GLU 15 N 0.40 0.99 0.30 0.00 4.39 -0.99 0.26 114.58 119.93 2jpu h GLU 15 Ca 0.12 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2jpu h GLU 15 Cb -0.01 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 2jpu h GLU 15 CO -0.05 0.72 -0.15 0.93 -1.16 0.00 0.00 179.01 179.30 2jpu h GLU 16 N 1.00 -0.39 0.00 2.33 4.39 -0.25 -2.35 114.58 119.31 2jpu h GLU 16 Ca 0.26 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.84 2jpu h GLU 16 Cb 0.01 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2jpu h GLU 16 CO -0.04 -0.21 -0.67 0.74 -1.16 0.00 0.00 179.01 177.66 2jpu h PHE 17 N -0.48 0.00 -0.34 4.33 0.04 -0.97 -2.90 116.94 116.61 2jpu h PHE 17 Ca -0.04 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 2jpu h PHE 17 Cb 0.36 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2jpu h PHE 17 CO -0.04 0.67 -0.03 1.25 -0.60 0.00 0.00 178.31 179.56 2jpu h LEU 18 N 0.00 0.51 -0.75 1.54 5.85 -0.91 -1.51 115.31 120.03 2jpu h LEU 18 Ca -0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2jpu h LEU 18 Cb 1.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2jpu h LEU 18 CO 0.09 0.60 -0.24 0.28 -0.34 0.00 0.00 178.44 178.83 2jpu h SER 19 N 0.51 0.00 1.07 1.25 0.02 -1.23 -2.65 113.55 112.52 2jpu h SER 19 Ca 0.11 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2jpu h SER 19 Cb 0.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jpu h SER 19 CO 0.02 0.24 -0.58 0.50 -1.14 0.00 0.00 176.83 175.87 2jpu h LYS 20 N 0.00 0.00 0.00 3.45 3.64 -1.13 -3.47 116.57 119.06 2jpu h LYS 20 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jpu h LYS 20 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2jpu h LYS 20 CO 0.03 0.58 0.00 0.41 -2.27 0.00 0.00 179.45 178.20 2jpu n GLY 21 N 0.80 0.84 3.49 5.01 0.00 -0.71 -5.07 105.19 109.54 2jpu n GLY 21 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.27 6.27 0.31 1.61 -1.08 -0.87 -4.90 116.67 116.75 2jpu s ASP 22 Ca 0.00 -0.59 0.17 0.00 -0.52 0.00 0.00 52.55 51.61 2jpu s ASP 22 Cb 0.00 -2.30 0.22 0.00 -1.46 0.00 0.00 42.92 39.37 2jpu s ASP 22 CO 0.00 -0.82 1.52 -0.07 0.52 0.00 0.00 175.17 176.31 2jpu h LEU 23 N 9.70 0.00 0.15 -1.34 3.38 -1.90 -3.21 115.31 122.09 2jpu h LEU 23 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2jpu h LEU 23 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jpu h LEU 23 CO 0.92 0.43 -0.07 0.58 0.09 0.00 0.00 178.44 180.39 2jpu h VAL 24 N 0.00 0.87 -0.06 1.22 2.07 -1.90 -2.70 116.25 115.75 2jpu h VAL 24 Ca -0.00 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 2jpu h VAL 24 Cb 1.26 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2jpu h VAL 24 CO 0.06 0.23 -0.38 1.56 0.02 0.00 0.00 177.57 179.05 2jpu h GLN 25 N -0.86 0.13 -0.71 1.57 4.20 -1.97 -2.59 115.11 114.88 2jpu h GLN 25 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2jpu h GLN 25 Cb 0.53 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2jpu h GLN 25 CO 0.03 0.50 0.39 0.00 -0.67 0.00 0.00 178.83 179.09 2jpu h ALA 26 N 1.50 0.91 -0.17 3.87 0.00 -1.60 -2.50 119.26 121.27 2jpu h ALA 26 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jpu h ALA 26 Cb 0.73 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jpu h ALA 26 CO 0.06 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.83 2jpu h GLU 28 N 0.19 0.31 0.66 0.00 4.57 -1.43 0.38 114.58 119.25 2jpu h GLU 28 Ca 0.06 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2jpu h GLU 28 Cb 0.04 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2jpu h GLU 28 CO -0.01 0.32 -0.32 0.87 -1.18 0.00 0.00 179.01 178.70 2jpu h LYS 29 N 0.30 -0.86 0.00 1.92 1.79 -1.00 -1.26 116.57 117.47 2jpu h LYS 29 Ca 0.07 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2jpu h LYS 29 Cb 0.19 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jpu h LYS 29 CO 0.00 -0.54 0.00 0.10 -1.08 0.00 0.00 179.45 177.94 2jpu h TYR 30 N -1.04 0.00 0.10 -1.35 -0.00 -1.30 -1.24 116.97 112.15 2jpu h TYR 30 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.63 2jpu h TYR 30 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.45 2jpu h TYR 30 CO -0.01 0.00 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.18 2jpu h TYR 31 N 0.00 -0.13 -0.10 0.10 3.20 -0.82 -2.49 116.97 116.74 2jpu h TYR 31 Ca 0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2jpu h TYR 31 Cb 0.65 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2jpu h TYR 31 CO 0.00 0.09 -0.37 -0.22 -1.64 0.00 0.00 178.16 176.02 2jpu h LYS 32 N -0.33 0.21 -0.48 1.82 3.64 -0.83 -1.03 116.57 119.56 2jpu h LYS 32 Ca -0.01 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2jpu h LYS 32 Cb 0.28 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2jpu h LYS 32 CO 0.02 0.56 0.33 0.00 -2.27 0.00 0.00 179.45 178.09 2jpu h ALA 33 N 1.44 2.11 -0.01 5.00 0.00 -1.17 0.13 119.26 126.77 2jpu h ALA 33 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jpu h ALA 33 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpu h ALA 33 CO 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.03 2jpu h ALA 34 N 1.75 0.02 -0.47 0.00 0.00 -0.73 -2.16 119.26 117.68 2jpu h ALA 34 Ca 0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2jpu h ALA 34 Cb 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2jpu h ALA 34 CO -0.04 -0.11 -0.02 1.05 0.00 0.00 0.00 179.25 180.13 2jpu h GLU 35 N -0.58 0.78 -0.24 0.00 4.11 -0.94 0.78 114.58 118.49 2jpu h GLU 35 Ca -0.00 -0.21 0.01 0.00 0.07 0.00 0.00 59.36 59.22 2jpu h GLU 35 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2jpu h GLU 35 CO 0.01 0.80 0.13 0.93 0.07 0.00 0.00 179.01 180.95 2jpu h GLU 36 N 0.73 0.26 -0.94 1.06 4.39 -0.83 -1.13 114.58 118.12 2jpu h GLU 36 Ca 0.14 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.83 2jpu h GLU 36 Cb 0.47 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2jpu h GLU 36 CO 0.02 0.17 0.62 0.00 -1.16 0.00 0.00 179.01 178.66 2jpu h ALA 37 N 1.11 1.33 -0.04 3.43 0.00 -0.67 -1.54 119.26 122.88 2jpu h ALA 37 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jpu h ALA 37 Cb 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2jpu h ALA 37 CO -0.06 0.62 0.03 0.82 0.00 0.00 0.00 179.25 180.66 2jpu h ILE 38 N 1.27 1.02 -0.20 0.00 1.08 -0.43 -0.12 117.51 120.13 2jpu h ILE 38 Ca 0.34 -0.06 -0.06 0.00 -0.39 0.00 0.00 64.86 64.69 2jpu h ILE 38 Cb -0.15 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2jpu h ILE 38 CO -0.07 0.02 -0.15 0.07 -0.69 0.00 0.00 178.15 177.33 2jpu h LYS 39 N 0.04 0.34 0.27 2.37 2.10 -0.83 -0.45 116.57 120.40 2jpu h LYS 39 Ca 0.01 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2jpu h LYS 39 Cb 0.01 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2jpu h LYS 39 CO -0.00 0.48 -0.13 -0.07 -2.00 0.00 0.00 179.45 177.73 2jpu h LEU 40 N 0.31 -0.31 -1.21 7.07 4.07 -1.01 -2.76 115.31 121.48 2jpu h LEU 40 Ca 0.06 -0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.00 2jpu h LEU 40 Cb 0.45 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 2jpu h LEU 40 CO 0.03 -0.12 0.55 -0.07 -1.08 0.00 0.00 178.44 177.76 2jpu h LEU 41 N -0.49 0.86 -0.67 1.67 3.38 -0.30 0.30 115.31 120.06 2jpu h LEU 41 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2jpu h LEU 41 Cb 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jpu h LEU 41 CO 0.06 0.57 0.37 0.58 0.09 0.00 0.00 178.44 180.11 2jpu h VAL 42 N 0.98 1.21 -0.11 1.22 2.07 -1.10 -0.67 116.25 119.85 2jpu h VAL 42 Ca 0.35 -0.52 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 2jpu h VAL 42 Cb 0.15 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2jpu h VAL 42 CO -0.12 0.23 -0.77 0.40 0.02 0.00 0.00 177.57 177.33 2jpu h ILE 43 N 0.92 1.33 -0.11 4.57 2.04 -0.93 0.36 117.51 125.68 2jpu h ILE 43 Ca 0.24 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2jpu h ILE 43 Cb 0.04 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2jpu h ILE 43 CO -0.04 0.64 0.06 -0.33 0.00 0.00 0.00 178.15 178.48 2jpu h GLU 44 N 0.40 0.13 0.00 2.37 4.39 -0.19 -1.78 114.58 119.89 2jpu h GLU 44 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jpu h GLU 44 Cb 1.37 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2jpu h GLU 44 CO 0.15 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.17 2jpu n ASN 45 N -5.03 0.65 -3.04 1.42 3.02 -0.28 -4.97 115.26 107.04 2jpu n ASN 45 Ca -0.05 0.57 -0.07 0.00 -0.03 0.00 0.00 54.58 55.00 2jpu n ASN 45 Cb 0.04 -0.74 0.01 0.00 -0.61 0.00 0.00 39.78 38.47 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 -2.12 -7.58 -4.35 6.41 5.15 -0.04 -4.95 115.26 107.77 2jpu n ASN 46 Ca 0.05 0.13 -0.46 0.00 -0.60 0.00 0.00 54.58 53.71 2jpu n ASN 46 Cb 0.39 -4.95 -0.04 0.00 -0.53 0.00 0.00 39.78 34.66 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 -3.38 5.95 0.37 1.20 1.43 -0.27 -4.88 118.68 119.10 2jpu s LEU 47 Ca 0.13 -1.95 0.28 0.00 -1.03 0.00 0.00 54.13 51.56 2jpu s LEU 47 Cb -0.03 -2.26 1.07 0.00 0.03 0.00 0.00 46.19 44.99 2jpu s LEU 47 CO 0.77 -0.89 1.81 0.50 0.23 0.00 0.00 176.35 178.77 2jpu h LYS 48 N 8.68 0.00 -0.79 1.70 3.64 -1.92 -2.63 116.57 125.25 2jpu h LYS 48 Ca -0.13 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2jpu h LYS 48 Cb 1.07 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 2jpu h LYS 48 CO 0.99 0.00 0.52 0.93 -2.27 0.00 0.00 179.45 179.62 2jpu h GLU 49 N 0.00 0.78 0.02 1.90 4.39 -1.99 -0.43 114.58 119.25 2jpu h GLU 49 Ca 0.00 -0.05 -0.34 0.00 0.34 0.00 0.00 59.36 59.31 2jpu h GLU 49 Cb 0.49 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2jpu h GLU 49 CO 0.00 0.51 -2.10 -0.89 -1.16 0.00 0.00 179.01 175.38 2jpu n ILE 50 N -4.49 1.55 -0.04 3.13 2.08 -1.01 -3.53 119.36 117.05 2jpu n ILE 50 Ca 0.12 -0.76 -0.07 0.00 0.56 0.00 0.00 62.75 62.61 2jpu n ILE 50 Cb 0.26 -1.04 0.12 0.00 -0.75 0.00 0.00 39.64 38.24 2jpu n ILE 50 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2jpu h THR 51 N 0.01 1.28 0.00 1.39 1.35 -1.36 0.45 112.91 116.03 2jpu h THR 51 Ca -0.44 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 2jpu h THR 51 Cb 2.08 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 2jpu h THR 51 CO 0.04 0.45 0.00 0.78 -0.25 0.00 0.00 175.52 176.54 2jpu h ASN 52 N 0.56 0.00 0.09 5.36 2.35 -1.25 -1.68 115.58 121.02 2jpu h ASN 52 Ca 0.07 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.55 2jpu h ASN 52 Cb 0.76 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.16 2jpu h ASN 52 CO 0.06 0.00 -1.12 -1.13 -1.65 0.00 0.00 177.43 173.59 2jpu h ASN 53 N 0.00 0.82 -0.18 5.81 -0.73 -1.23 -3.15 115.58 116.91 2jpu h ASN 53 Ca 0.00 -0.82 0.00 0.00 1.87 0.00 0.00 56.30 57.35 2jpu h ASN 53 Cb 0.56 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2jpu h ASN 53 CO 0.00 1.55 0.00 0.52 -0.37 0.00 0.00 177.43 179.13 2jpu n VAL 54 N -3.88 0.24 0.23 2.57 0.31 0.01 -4.06 118.33 113.75 2jpu n VAL 54 Ca -0.13 -0.27 0.10 0.00 -0.01 0.00 0.00 64.34 64.03 2jpu n VAL 54 Cb 0.93 0.14 0.51 0.00 -0.91 0.00 0.00 33.84 34.50 2jpu n VAL 54 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2jpu n LYS 55 N 0.07 0.14 -0.02 5.55 3.00 -0.66 -1.22 118.16 125.03 2jpu n LYS 55 Ca 0.10 0.55 -0.12 0.00 -0.00 0.00 0.00 58.31 58.84 2jpu n LYS 55 Cb 0.20 -1.89 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 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 0.09 -3.05 3.14 -0.73 -1.83 -3.46 115.58 109.74 2jpu h ASN 56 Ca 0.00 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.82 2jpu h ASN 56 Cb 0.11 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2jpu h ASN 56 CO 0.00 0.42 0.00 0.29 -0.37 0.00 0.00 177.43 177.77 2jpu n LYS 57 N -4.86 1.95 -0.06 6.67 5.02 -0.36 -5.04 118.16 121.49 2jpu n LYS 57 Ca -0.07 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.24 2jpu n LYS 57 Cb 0.21 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.25 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jpu n GLY 58 N 5.00 2.23 2.99 0.72 0.00 -1.26 -4.96 105.19 109.90 2jpu n GLY 58 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.21 0.26 0.80 1.61 3.52 -1.26 -5.16 118.95 117.51 2jpu s ARG 59 Ca 0.08 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.23 2jpu s ARG 59 Cb 0.07 0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.63 2jpu s ARG 59 CO 0.01 -0.05 1.09 -1.58 -0.81 0.00 0.00 175.30 173.96 2jpu s TRP 60 N -0.94 2.62 0.11 5.12 0.52 -1.26 -5.03 118.94 120.08 2jpu s TRP 60 Ca -0.10 1.38 -0.00 0.00 0.02 0.00 0.00 56.10 57.39 2jpu s TRP 60 Cb -0.06 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2jpu s TRP 60 CO -0.00 -1.89 0.01 -1.59 0.02 0.00 0.00 176.95 173.50 2jpu s LYS 61 N -4.98 0.83 0.20 4.98 -2.85 -1.26 -5.07 119.74 111.60 2jpu s LYS 61 Ca 0.61 -1.37 -0.12 0.00 -1.00 0.00 0.00 55.97 54.10 2jpu s LYS 61 Cb -0.16 0.14 0.25 0.00 -2.06 0.00 0.00 37.83 35.99 2jpu s LYS 61 CO 0.56 -0.17 1.67 0.77 0.10 0.00 0.00 175.35 178.27 2jpu h SER 62 N 2.95 -0.28 -0.39 0.03 0.02 -2.01 -1.07 113.55 112.80 2jpu h SER 62 Ca -0.35 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2jpu h SER 62 Cb 1.18 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2jpu h SER 62 CO 0.62 -0.11 0.26 1.05 -1.14 0.00 0.00 176.83 177.52 2jpu h GLU 63 N 0.11 0.40 -0.05 3.45 4.11 -2.02 -1.98 114.58 118.60 2jpu h GLU 63 Ca 0.30 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.52 2jpu h GLU 63 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2jpu h GLU 63 CO -0.50 0.26 -0.75 -0.91 0.07 0.00 0.00 179.01 177.18 2jpu h ASN 64 N 0.41 0.38 -0.77 3.06 4.21 -1.62 -3.09 115.58 118.16 2jpu h ASN 64 Ca 0.16 -0.26 -0.03 0.00 1.21 0.00 0.00 56.30 57.37 2jpu h ASN 64 Cb 0.13 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 2jpu h ASN 64 CO -0.04 1.00 0.35 -0.07 -1.29 0.00 0.00 177.43 177.38 2jpu h LEU 65 N 0.21 1.03 -0.19 1.61 3.38 -1.19 0.88 115.31 121.03 2jpu h LEU 65 Ca -0.03 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2jpu h LEU 65 Cb 1.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jpu h LEU 65 CO 0.12 0.89 -0.15 0.15 0.09 0.00 0.00 178.44 179.55 2jpu h PHE 66 N 1.09 0.52 -0.17 1.13 3.57 -1.57 -2.16 116.94 119.35 2jpu h PHE 66 Ca 0.26 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2jpu h PHE 66 Cb 0.16 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2jpu h PHE 66 CO 0.01 0.78 0.02 -0.22 -2.23 0.00 0.00 178.31 176.67 2jpu h LYS 67 N 0.12 0.29 -0.80 1.11 3.64 -1.42 -2.40 116.57 117.11 2jpu h LYS 67 Ca 0.04 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2jpu h LYS 67 Cb 0.67 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2jpu h LYS 67 CO 0.04 0.47 0.47 0.00 -2.27 0.00 0.00 179.45 178.16 2jpu h ALA 68 N 0.80 1.11 -0.03 5.00 0.00 -0.87 -1.49 119.26 123.78 2jpu h ALA 68 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jpu h ALA 68 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jpu h ALA 68 CO 0.01 0.16 -0.29 1.03 0.00 0.00 0.00 179.25 180.16 2jpu h SER 69 N 0.84 0.05 -0.06 0.00 0.87 -1.21 -2.30 113.55 111.74 2jpu h SER 69 Ca 0.36 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2jpu h SER 69 Cb 0.24 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2jpu h SER 69 CO -0.20 0.34 0.02 0.50 -0.53 0.00 0.00 176.83 176.96 2jpu h LYS 70 N 0.05 0.08 -0.42 2.24 3.64 -0.77 -2.70 116.57 118.68 2jpu h LYS 70 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jpu h LYS 70 Cb 0.54 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2jpu h LYS 70 CO 0.04 0.21 0.28 -0.07 -2.27 0.00 0.00 179.45 177.64 2jpu h LEU 71 N -0.06 0.42 0.00 5.20 3.38 -1.14 -1.28 115.31 121.82 2jpu h LEU 71 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jpu h LEU 71 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jpu h LEU 71 CO -0.00 0.29 0.00 0.18 0.09 0.00 0.00 178.44 179.00 2jpu n LEU 72 N -4.48 0.00 0.25 1.67 4.77 -0.90 -2.13 117.00 116.18 2jpu n LEU 72 Ca 0.04 0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2jpu n LEU 72 Cb 0.13 -0.06 0.66 0.00 -2.33 0.00 0.00 43.42 41.81 2jpu n LEU 72 CO 0.35 -0.03 0.96 -0.09 -1.33 0.00 0.00 177.39 177.24 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 2.43 -1.26 -0.91 114.38 117.87 2jpu h ARG 73 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2jpu h ARG 73 Cb 0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jpu h ARG 73 CO 0.00 0.14 -0.09 1.03 -1.51 0.00 0.00 179.97 179.54 2jpu h SER 74 N 0.00 0.00 0.04 -3.80 0.87 -1.66 -2.94 113.55 106.06 2jpu h SER 74 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jpu h SER 74 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2jpu h SER 74 CO 0.02 0.09 -0.02 0.78 -0.53 0.00 0.00 176.83 177.17 2jpu h ASN 75 N 0.00 -0.04 -3.70 6.23 -0.26 -1.40 -3.47 115.58 112.93 2jpu h ASN 75 Ca -0.00 -0.32 -0.13 0.00 -0.56 0.00 0.00 56.30 55.29 2jpu h ASN 75 Cb 0.19 0.01 -0.25 0.00 -1.06 0.00 0.00 38.32 37.21 2jpu h ASN 75 CO 0.01 0.60 -0.28 0.21 -1.06 0.00 0.00 177.43 176.91 2jpu s ASN 76 N -5.70 -0.42 0.53 5.81 2.47 -1.00 -5.04 114.94 111.58 2jpu s ASN 76 Ca -0.07 0.79 0.22 0.00 0.42 0.00 0.00 52.86 54.22 2jpu s ASN 76 Cb -0.01 0.77 1.42 0.00 -1.45 0.00 0.00 41.25 41.98 2jpu s ASN 76 CO 0.25 -0.15 2.14 0.74 -3.72 0.00 0.00 177.10 176.37 2jpu h THR 77 N 4.82 0.81 0.00 -5.21 2.02 -1.84 -2.26 112.91 111.26 2jpu h THR 77 Ca -0.30 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2jpu h THR 77 Cb 1.18 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2jpu h THR 77 CO 0.28 0.05 -0.26 -0.33 0.37 0.00 0.00 175.52 175.63 2jpu h GLU 78 N 0.00 0.00 0.19 6.66 5.08 -1.93 -3.37 114.58 121.21 2jpu h GLU 78 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jpu h GLU 78 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2jpu h GLU 78 CO 0.01 0.26 -0.48 0.82 -1.00 0.00 0.00 179.01 178.62 2jpu h ILE 79 N 0.00 0.07 0.00 3.13 1.08 -1.70 0.21 117.51 120.30 2jpu h ILE 79 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2jpu h ILE 79 Cb 0.89 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 2jpu h ILE 79 CO 0.03 0.00 -0.06 1.55 -0.69 0.00 0.00 178.15 178.98 2jpu h PRO 80 N -0.76 0.00 -0.08 2.37 0.13 -1.72 -1.68 132.00 130.25 2jpu h PRO 80 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2jpu h PRO 80 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2jpu h PRO 80 CO -0.23 0.06 -0.25 0.82 -0.23 0.00 0.00 178.00 178.17 2jpu h ILE 81 N 0.00 1.41 -0.59 -3.56 1.08 -1.40 -1.00 117.51 113.45 2jpu h ILE 81 Ca -0.00 -1.61 -0.01 0.00 -0.39 0.00 0.00 64.86 62.86 2jpu h ILE 81 Cb 0.12 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2jpu h ILE 81 CO 0.01 0.46 0.33 -0.07 -0.69 0.00 0.00 178.15 178.19 2jpu h LEU 82 N -0.15 0.72 0.09 1.44 3.38 -0.28 -1.11 115.31 119.40 2jpu h LEU 82 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jpu h LEU 82 Cb 0.87 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2jpu h LEU 82 CO 0.05 0.60 -0.04 -0.25 0.09 0.00 0.00 178.44 178.89 2jpu h TRP 83 N 0.79 -0.11 -0.66 1.13 2.91 -1.32 -1.58 115.95 117.11 2jpu h TRP 83 Ca 0.21 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.23 2jpu h TRP 83 Cb 0.02 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 2jpu h TRP 83 CO -0.01 -0.06 0.44 -0.22 -1.03 0.00 0.00 178.44 177.55 2jpu h LYS 84 N -0.13 0.86 -0.48 2.65 3.64 -0.89 0.54 116.57 122.75 2jpu h LYS 84 Ca -0.01 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 2jpu h LYS 84 Cb 0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2jpu h LYS 84 CO 0.02 0.57 -0.16 0.77 -2.27 0.00 0.00 179.45 178.38 2jpu h SER 85 N 0.89 0.97 -0.24 4.20 0.02 -1.00 -1.68 113.55 116.71 2jpu h SER 85 Ca 0.24 -0.38 -0.19 0.00 -0.84 0.00 0.00 61.79 60.63 2jpu h SER 85 Cb -0.09 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.19 2jpu h SER 85 CO -0.05 1.13 -0.58 0.00 -1.14 0.00 0.00 176.83 176.19 2jpu h ALA 86 N 0.88 0.47 -0.86 3.77 0.00 -0.31 -3.03 119.26 120.17 2jpu h ALA 86 Ca 0.12 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.59 2jpu h ALA 86 Cb 0.73 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2jpu h ALA 86 CO 0.06 0.68 0.56 2.35 0.00 0.00 0.00 179.25 182.90 2jpu h TRP 87 N 0.64 0.92 -0.70 0.00 2.91 0.15 -1.96 115.95 117.91 2jpu h TRP 87 Ca 0.01 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.14 2jpu h TRP 87 Cb 1.19 -0.30 -0.07 0.00 -0.51 0.00 0.00 29.16 29.47 2jpu h TRP 87 CO 0.07 0.44 0.34 1.15 -1.03 0.00 0.00 178.44 179.41 2jpu h THR 88 N 0.86 0.84 -0.66 2.65 2.02 -1.18 -1.49 112.91 115.96 2jpu h THR 88 Ca 0.40 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 2jpu h THR 88 Cb 0.38 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2jpu h THR 88 CO -0.16 0.11 0.25 -0.07 0.37 0.00 0.00 175.52 176.02 2jpu h LEU 89 N 0.59 0.93 -1.29 2.58 3.38 -1.43 -1.08 115.31 119.00 2jpu h LEU 89 Ca 0.34 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2jpu h LEU 89 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jpu h LEU 89 CO -0.27 0.86 -0.28 -0.74 0.09 0.00 0.00 178.44 178.10 2jpu h HIS 90 N 0.94 0.00 0.14 1.13 2.76 -1.35 0.22 115.15 118.99 2jpu h HIS 90 Ca 0.22 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2jpu h HIS 90 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2jpu h HIS 90 CO 0.02 0.28 -0.07 0.28 -1.30 0.00 0.00 177.93 177.14 2jpu h VAL 91 N 0.00 0.96 -0.24 5.26 2.07 -0.43 -2.43 116.25 121.44 2jpu h VAL 91 Ca -0.00 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.18 2jpu h VAL 91 Cb 0.68 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2jpu h VAL 91 CO 0.04 0.24 -0.54 1.05 0.02 0.00 0.00 177.57 178.38 2jpu h GLU 92 N -0.81 0.72 -0.10 1.57 4.11 -1.16 -3.20 114.58 115.71 2jpu h GLU 92 Ca -0.02 -0.45 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 2jpu h GLU 92 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2jpu h GLU 92 CO 0.03 1.08 -0.45 0.78 0.07 0.00 0.00 179.01 180.52 2jpu h GLY 93 N 0.88 0.26 1.97 1.06 0.00 -0.68 -1.47 103.07 105.09 2jpu h GLY 93 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2jpu h GLY 93 CO 0.11 0.24 -0.26 -2.75 0.00 0.00 0.00 176.54 173.88 2jpu h PHE 94 N 0.20 0.04 0.02 5.60 3.57 -1.42 -2.97 116.94 121.97 2jpu h PHE 94 Ca 0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2jpu h PHE 94 Cb 0.87 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2jpu h PHE 94 CO 0.02 0.29 -0.51 0.45 -2.23 0.00 0.00 178.31 176.33 2jpu h HIS 95 N 0.04 0.08 -3.24 0.41 3.86 -1.56 -3.45 115.15 111.28 2jpu h HIS 95 Ca 0.00 -0.06 -0.51 0.00 -1.16 0.00 0.00 60.37 58.65 2jpu h HIS 95 Cb 0.48 -0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.57 2jpu h HIS 95 CO 0.00 1.20 -0.79 -1.21 0.86 0.00 0.00 177.93 177.99 2jpu s GLU 96 N -2.29 1.19 -1.20 2.45 2.02 -0.57 -5.05 118.70 115.25 2jpu s GLU 96 Ca -0.21 -0.23 -0.19 0.00 0.02 0.00 0.00 54.97 54.36 2jpu s GLU 96 Cb 0.00 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 2jpu s GLU 96 CO 0.68 -0.34 1.93 1.28 0.02 0.00 0.00 175.26 178.83 2jpu n LEU 97 N 4.99 4.69 -2.97 1.80 7.99 -1.17 -3.98 117.00 128.34 2jpu n LEU 97 Ca -0.11 -3.56 -0.15 0.00 -0.01 0.00 0.00 56.01 52.18 2jpu n LEU 97 Cb 0.49 -1.60 0.01 0.00 -0.11 0.00 0.00 43.42 42.22 2jpu n LEU 97 CO 0.15 -0.27 0.00 -1.20 -1.51 0.00 0.00 177.39 174.56 2jpu n SER 98 N 9.29 -0.90 -4.70 -1.43 7.64 -1.26 -5.03 113.62 117.23 2jpu n SER 98 Ca 0.49 -3.22 -0.42 0.00 1.01 0.00 0.00 58.87 56.73 2jpu n SER 98 Cb 0.43 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 2jpu n SER 98 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jpu s LEU 99 N -1.86 4.34 0.34 -3.43 2.01 -1.26 -5.00 118.68 113.82 2jpu s LEU 99 Ca 0.32 1.99 -0.20 0.00 0.01 0.00 0.00 54.13 56.25 2jpu s LEU 99 Cb 0.28 -3.57 -0.10 0.00 0.01 0.00 0.00 46.19 42.81 2jpu s LEU 99 CO -0.10 -0.54 0.86 0.20 1.01 0.00 0.00 176.35 177.77 2jpu s ASN 100 N 1.28 7.01 0.21 2.29 -0.87 -1.26 -4.70 114.94 118.89 2jpu s ASN 100 Ca 0.59 1.57 -0.08 0.00 -1.57 0.00 0.00 52.86 53.37 2jpu s ASN 100 Cb -0.29 -2.49 0.15 0.00 -0.02 0.00 0.00 41.25 38.60 2jpu s ASN 100 CO 0.27 -0.19 1.78 -0.08 -2.57 0.00 0.00 177.10 176.31 2jpu h GLU 101 N 2.54 1.14 -0.85 -0.60 4.81 -1.96 -2.51 114.58 117.15 2jpu h GLU 101 Ca -0.48 -0.20 0.14 0.00 -0.13 0.00 0.00 59.36 58.69 2jpu h GLU 101 Cb 1.18 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 2jpu h GLU 101 CO 0.64 0.92 0.55 -0.22 -0.73 0.00 0.00 179.01 180.17 2jpu h LYS 102 N 1.11 0.63 0.01 1.92 3.11 -2.01 -0.58 116.57 120.76 2jpu h LYS 102 Ca 0.26 -0.04 -0.24 0.00 -2.81 0.00 0.00 60.65 57.82 2jpu h LYS 102 Cb 0.19 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.24 2jpu h LYS 102 CO -0.02 0.42 -1.25 0.93 -2.81 0.00 0.00 179.45 176.72 2jpu h GLU 103 N 0.65 0.02 -0.07 1.90 4.39 -1.87 -3.10 114.58 116.51 2jpu h GLU 103 Ca 0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2jpu h GLU 103 Cb 0.70 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2jpu h GLU 103 CO -0.18 0.86 0.04 0.28 -1.16 0.00 0.00 179.01 178.85 2jpu h VAL 104 N 0.01 1.01 -0.18 3.13 2.07 -0.75 0.21 116.25 121.74 2jpu h VAL 104 Ca -0.11 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2jpu h VAL 104 Cb 1.86 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2jpu h VAL 104 CO 0.12 0.02 -0.26 0.11 0.02 0.00 0.00 177.57 177.57 2jpu h LYS 105 N 0.08 0.34 0.52 1.57 1.57 -1.47 -1.21 116.57 117.98 2jpu h LYS 105 Ca 0.03 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2jpu h LYS 105 Cb -0.00 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2jpu h LYS 105 CO -0.01 0.58 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.98 2jpu h LYS 106 N 0.30 -0.67 -0.28 3.15 3.64 -1.38 -3.30 116.57 118.03 2jpu h LYS 106 Ca 0.05 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2jpu h LYS 106 Cb 0.62 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2jpu h LYS 106 CO 0.04 -0.38 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.71 2jpu h LEU 107 N -1.06 0.41 -1.08 5.20 -0.00 -0.55 -2.17 115.31 116.07 2jpu h LEU 107 Ca -0.07 -0.09 0.09 0.00 -0.00 0.00 0.00 57.88 57.82 2jpu h LEU 107 Cb 0.61 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.09 2jpu h LEU 107 CO 0.12 0.53 0.62 0.50 -0.00 0.00 0.00 178.44 180.20 2jpu h LYS 108 N 0.42 0.99 0.23 1.13 3.64 -1.31 0.51 116.57 122.18 2jpu h LYS 108 Ca 0.09 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.07 2jpu h LYS 108 Cb 0.38 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2jpu h LYS 108 CO 0.02 0.65 -1.53 1.49 -2.27 0.00 0.00 179.45 177.81 2jpu h GLU 109 N 1.02 0.49 -0.63 1.90 4.81 -1.53 -2.23 114.58 118.41 2jpu h GLU 109 Ca 0.45 -0.83 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2jpu h GLU 109 Cb 0.36 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2jpu h GLU 109 CO -0.20 1.39 0.35 -0.44 -0.73 0.00 0.00 179.01 179.38 2jpu h ASP 110 N 0.13 0.79 -0.04 1.04 3.32 -0.86 -1.41 116.42 119.38 2jpu h ASP 110 Ca -0.27 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 2jpu h ASP 110 Cb 2.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.48 2jpu h ASP 110 CO 0.25 0.66 -0.21 0.58 -1.72 0.00 0.00 179.24 178.79 2jpu h VAL 111 N 0.86 1.25 -0.48 -1.35 2.07 -0.08 -2.46 116.25 116.06 2jpu h VAL 111 Ca 0.22 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2jpu h VAL 111 Cb 0.04 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2jpu h VAL 111 CO -0.04 0.37 0.20 -0.09 0.02 0.00 0.00 177.57 178.03 2jpu h ARG 112 N 0.39 0.68 -0.57 1.57 2.43 -0.72 0.55 114.38 118.71 2jpu h ARG 112 Ca 0.06 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2jpu h ARG 112 Cb 0.59 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2jpu h ARG 112 CO 0.04 0.56 0.38 0.87 -1.51 0.00 0.00 179.97 180.31 2jpu h LYS 113 N 0.68 0.57 0.04 0.20 1.57 -0.79 0.15 116.57 118.99 2jpu h LYS 113 Ca 0.17 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2jpu h LYS 113 Cb 0.12 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jpu h LYS 113 CO -0.02 0.38 -0.69 1.25 -0.57 0.00 0.00 179.45 179.80 2jpu h LEU 114 N 0.59 0.53 -0.79 2.94 5.85 -1.08 -3.27 115.31 120.07 2jpu h LEU 114 Ca 0.24 -0.81 0.02 0.00 0.84 0.00 0.00 57.88 58.17 2jpu h LEU 114 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2jpu h LEU 114 CO -0.07 1.28 0.51 0.58 -0.34 0.00 0.00 178.44 180.41 2jpu h VAL 115 N -0.16 1.15 -0.73 1.05 2.07 -0.30 -1.49 116.25 117.86 2jpu h VAL 115 Ca -0.10 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.20 2jpu h VAL 115 Cb 1.43 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2jpu h VAL 115 CO 0.13 0.19 0.48 0.40 0.02 0.00 0.00 177.57 178.79 2jpu h ILE 116 N 1.02 0.85 0.08 4.57 2.04 -0.81 0.10 117.51 125.36 2jpu h ILE 116 Ca 0.30 -0.17 -0.24 0.00 1.00 0.00 0.00 64.86 65.76 2jpu h ILE 116 Cb -0.05 0.33 0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2jpu h ILE 116 CO -0.09 0.09 -0.98 0.15 0.00 0.00 0.00 178.15 177.32 2jpu h PHE 117 N 0.48 0.84 -0.23 1.37 3.57 -1.36 -1.65 116.94 119.96 2jpu h PHE 117 Ca 0.35 -0.51 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 2jpu h PHE 117 Cb 0.69 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2jpu h PHE 117 CO -0.00 1.36 0.14 0.00 -2.23 0.00 0.00 178.31 177.58 2jpu h ALA 118 N 0.27 0.30 -0.06 2.41 0.00 -0.46 -2.47 119.26 119.25 2jpu h ALA 118 Ca -0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2jpu h ALA 118 Cb 1.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2jpu h ALA 118 CO 0.19 -0.20 -0.41 0.28 0.00 0.00 0.00 179.25 179.11 2jpu h VAL 119 N 0.29 1.31 0.00 0.00 2.07 -0.91 -2.55 116.25 116.46 2jpu h VAL 119 Ca 0.08 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2jpu h VAL 119 Cb 0.02 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2jpu h VAL 119 CO -0.02 0.43 -0.06 -1.13 0.02 0.00 0.00 177.57 176.82 2jpu h ASN 120 N 0.11 0.00 0.67 0.57 -0.73 -0.85 -0.57 115.58 114.79 2jpu h ASN 120 Ca 0.01 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 2jpu h ASN 120 Cb 0.78 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 2jpu h ASN 120 CO 0.06 0.06 -0.41 -1.28 -0.37 0.00 0.00 177.43 175.49 2jpu h SER 121 N 0.00 0.00 0.68 1.15 0.87 -1.11 -2.32 113.55 112.82 2jpu h SER 121 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jpu h SER 121 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2jpu h SER 121 CO 0.01 0.41 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.62 2jpu h LEU 122 N 0.00 0.00 0.00 2.23 4.07 -1.16 -0.66 115.31 119.78 2jpu h LEU 122 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jpu h LEU 122 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2jpu h LEU 122 CO 0.05 0.02 0.00 -0.62 -1.08 0.00 0.00 178.44 176.82 2jpu n GLU 123 N -3.16 0.30 -2.31 1.13 1.02 -0.87 -4.86 120.64 111.89 2jpu n GLU 123 Ca -0.01 0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 2jpu n GLU 123 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.31 -0.81 0.00 -0.32 -0.00 -0.26 -4.91 115.22 107.62 2jpu n HIS 124 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.64 2jpu n HIS 124 Cb 0.20 -3.49 -0.14 0.00 -0.00 0.00 0.00 29.99 26.56 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 -3.97 1.22 0.00 1.57 -0.00 -1.25 -4.97 115.22 107.82 2jpu n HIS 125 Ca -0.21 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2jpu n HIS 125 Cb 0.66 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.47 2jpu n HIS 125 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jpu n HIS 126 N -3.38 0.00 -3.69 1.57 8.25 -1.26 -4.62 115.22 112.08 2jpu n HIS 126 Ca -0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.13 2jpu n HIS 126 Cb 1.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.14 2jpu n HIS 126 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jpu s HIS 127 N 0.00 -0.22 -0.00 4.41 -3.43 -1.26 -4.96 115.29 109.83 2jpu s HIS 127 Ca 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2jpu s HIS 127 Cb 0.00 0.62 -0.00 0.00 -1.43 0.00 0.00 32.58 31.77 2jpu s HIS 127 CO 0.00 -0.84 0.00 1.58 -2.00 0.00 0.00 174.74 173.49 2jpu n HIS 128 N -0.42 0.00 -1.00 0.38 -0.00 -1.26 -5.26 115.22 107.66 2jpu n HIS 128 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2jpu n HIS 128 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2jpu n HIS 128 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06