#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu n SER 2 N 0.00 -1.00 -0.73 6.12 7.64 -1.26 -5.13 113.62 119.27 2jpu n SER 2 Ca 0.00 -1.98 0.09 0.00 1.01 0.00 0.00 58.87 57.99 2jpu n SER 2 Cb 0.00 0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 2jpu n SER 2 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2jpu n ILE 3 N -0.06 -0.40 -3.16 0.44 5.41 -1.26 -5.00 119.36 115.34 2jpu n ILE 3 Ca -0.27 0.45 -0.11 0.00 1.00 0.00 0.00 62.75 63.81 2jpu n ILE 3 Cb 0.70 -0.69 0.01 0.00 -0.71 0.00 0.00 39.64 38.95 2jpu n ILE 3 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2jpu n SER 4 N -3.22 -7.14 -4.82 4.38 2.88 -1.26 -4.99 113.62 99.45 2jpu n SER 4 Ca -0.04 -0.02 -0.30 0.00 -1.33 0.00 0.00 58.87 57.18 2jpu n SER 4 Cb 0.34 -4.37 0.08 0.00 -0.75 0.00 0.00 64.21 59.52 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jpu s THR 5 N -2.69 3.10 0.31 2.46 -4.23 -1.26 -4.86 115.64 108.46 2jpu s THR 5 Ca 0.13 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.98 2jpu s THR 5 Cb -0.03 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.92 2jpu s THR 5 CO 0.79 -0.47 1.96 0.77 -0.54 0.00 0.00 174.62 177.14 2jpu h SER 6 N -1.01 0.91 -0.78 3.99 4.64 -1.99 -1.34 113.55 117.98 2jpu h SER 6 Ca -0.47 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2jpu h SER 6 Cb 1.27 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 2jpu h SER 6 CO 0.60 0.64 0.47 0.00 -0.87 0.00 0.00 176.83 177.67 2jpu h ALA 7 N 1.50 1.06 -0.07 5.18 0.00 -1.93 0.99 119.26 125.99 2jpu h ALA 7 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jpu h ALA 7 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jpu h ALA 7 CO -0.08 0.18 0.02 0.93 0.00 0.00 0.00 179.25 180.30 2jpu h GLU 8 N 0.85 0.12 0.33 0.00 5.08 -1.71 -2.12 114.58 117.14 2jpu h GLU 8 Ca 0.34 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2jpu h GLU 8 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jpu h GLU 8 CO -0.17 0.31 -0.26 0.28 -1.00 0.00 0.00 179.01 178.17 2jpu h VAL 9 N -0.09 0.46 -0.70 3.13 2.07 -0.58 0.84 116.25 121.37 2jpu h VAL 9 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2jpu h VAL 9 Cb 0.24 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2jpu h VAL 9 CO 0.00 0.00 0.42 1.88 0.02 0.00 0.00 177.57 179.89 2jpu h TYR 10 N -0.59 0.92 -0.37 1.57 0.05 -0.89 0.20 116.97 117.87 2jpu h TYR 10 Ca -0.02 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.62 2jpu h TYR 10 Cb 0.52 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2jpu h TYR 10 CO -0.14 0.62 -0.31 -0.92 -1.05 0.00 0.00 178.16 176.37 2jpu h TYR 11 N 0.97 0.95 0.00 4.88 3.20 -1.01 -2.38 116.97 123.58 2jpu h TYR 11 Ca 0.25 -0.25 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 2jpu h TYR 11 Cb -0.03 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2jpu h TYR 11 CO 0.00 1.02 -0.81 1.49 -1.64 0.00 0.00 178.16 178.22 2jpu h GLU 12 N 0.69 0.03 -0.01 1.82 4.81 -0.16 -2.69 114.58 119.08 2jpu h GLU 12 Ca 0.08 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2jpu h GLU 12 Cb 0.85 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2jpu h GLU 12 CO 0.07 0.82 -0.15 0.93 -0.73 0.00 0.00 179.01 179.96 2jpu h GLU 13 N 0.02 0.01 -0.35 1.92 5.08 -0.46 0.17 114.58 120.96 2jpu h GLU 13 Ca -0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2jpu h GLU 13 Cb 1.43 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2jpu h GLU 13 CO 0.11 0.16 0.14 0.00 -1.00 0.00 0.00 179.01 178.42 2jpu h ALA 14 N 1.84 0.46 -0.97 3.43 0.00 -1.11 -0.55 119.26 122.37 2jpu h ALA 14 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jpu h ALA 14 Cb 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2jpu h ALA 14 CO 0.02 0.06 0.62 0.93 0.00 0.00 0.00 179.25 180.89 2jpu h GLU 15 N 0.42 1.13 -0.23 0.00 4.39 -1.03 0.65 114.58 119.91 2jpu h GLU 15 Ca 0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jpu h GLU 15 Cb 0.19 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jpu h GLU 15 CO -0.01 0.75 0.13 0.93 -1.16 0.00 0.00 179.01 179.65 2jpu h GLU 16 N 1.17 0.33 -0.44 2.33 4.39 -0.24 0.14 114.58 122.26 2jpu h GLU 16 Ca 0.40 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.95 2jpu h GLU 16 Cb 0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jpu h GLU 16 CO -0.15 0.30 -0.20 0.74 -1.16 0.00 0.00 179.01 178.54 2jpu h PHE 17 N 0.27 0.97 -0.36 4.33 0.04 -0.81 -1.40 116.94 119.97 2jpu h PHE 17 Ca 0.08 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 2jpu h PHE 17 Cb 0.07 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2jpu h PHE 17 CO -0.03 0.98 0.20 1.25 -0.60 0.00 0.00 178.31 180.10 2jpu h LEU 18 N 0.75 0.43 -0.60 1.54 5.85 -0.57 0.19 115.31 122.90 2jpu h LEU 18 Ca 0.11 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2jpu h LEU 18 Cb 0.73 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2jpu h LEU 18 CO 0.06 0.35 -0.57 0.28 -0.34 0.00 0.00 178.44 178.22 2jpu h SER 19 N 0.50 0.00 0.52 1.25 0.02 -0.18 -3.15 113.55 112.52 2jpu h SER 19 Ca 0.13 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.80 2jpu h SER 19 Cb 0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jpu h SER 19 CO -0.02 0.57 -1.26 0.50 -1.14 0.00 0.00 176.83 175.48 2jpu h LYS 20 N 0.00 0.35 0.00 3.45 3.64 -0.17 -3.48 116.57 120.35 2jpu h LYS 20 Ca -0.01 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2jpu h LYS 20 Cb 1.17 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2jpu h LYS 20 CO 0.07 1.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.92 2jpu n GLY 21 N 1.51 1.81 3.64 5.01 0.00 0.39 -5.10 105.19 112.44 2jpu n GLY 21 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 5.13 -0.03 1.61 -1.08 0.36 -4.99 116.67 115.66 2jpu s ASP 22 Ca 0.00 0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.18 2jpu s ASP 22 Cb 0.00 -1.54 -0.11 0.00 -1.46 0.00 0.00 42.92 39.82 2jpu s ASP 22 CO 0.00 0.32 0.11 0.18 0.52 0.00 0.00 175.17 176.31 2jpu n LEU 23 N 2.50 0.00 0.09 -1.34 4.77 -1.26 -3.57 117.00 118.19 2jpu n LEU 23 Ca -0.18 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 2jpu n LEU 23 Cb 0.53 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2jpu n LEU 23 CO 0.29 0.07 0.27 0.58 -1.33 0.00 0.00 177.39 177.27 2jpu h VAL 24 N 0.00 0.42 0.00 4.08 2.07 -1.89 -1.66 116.25 119.27 2jpu h VAL 24 Ca -0.08 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 2jpu h VAL 24 Cb 0.79 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2jpu h VAL 24 CO 0.00 0.11 -0.52 1.56 0.02 0.00 0.00 177.57 178.74 2jpu h GLN 25 N -1.00 0.00 -0.04 1.57 4.20 -1.99 -2.83 115.11 115.03 2jpu h GLN 25 Ca -0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.70 2jpu h GLN 25 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2jpu h GLN 25 CO 0.05 0.52 -0.08 0.00 -0.67 0.00 0.00 178.83 178.66 2jpu h ALA 26 N 1.48 -0.05 -0.95 3.87 0.00 -1.76 -0.99 119.26 120.85 2jpu h ALA 26 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jpu h ALA 26 Cb 1.03 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2jpu h ALA 26 CO 0.07 -0.56 0.60 0.00 0.00 0.00 0.00 179.25 179.36 2jpu h GLU 28 N 1.30 1.19 0.72 0.00 4.81 -1.22 -1.22 114.58 120.17 2jpu h GLU 28 Ca 0.35 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2jpu h GLU 28 Cb -0.10 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.01 2jpu h GLU 28 CO -0.07 0.79 -0.37 0.87 -0.73 0.00 0.00 179.01 179.50 2jpu h LYS 29 N 1.23 -0.97 0.00 1.92 1.79 -0.28 0.68 116.57 120.94 2jpu h LYS 29 Ca 0.35 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2jpu h LYS 29 Cb -0.10 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2jpu h LYS 29 CO -0.08 -0.64 0.00 0.10 -1.08 0.00 0.00 179.45 177.74 2jpu h TYR 30 N -1.00 0.00 0.15 -1.35 -0.00 -1.53 0.12 116.97 113.36 2jpu h TYR 30 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.63 2jpu h TYR 30 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.51 2jpu h TYR 30 CO -0.04 0.00 -0.07 -0.92 -0.00 0.00 0.00 178.16 177.13 2jpu h TYR 31 N 0.00 -0.18 0.00 0.10 5.03 -0.88 -0.60 116.97 120.44 2jpu h TYR 31 Ca 0.00 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 2jpu h TYR 31 Cb 0.74 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 2jpu h TYR 31 CO 0.00 0.07 -0.40 0.87 -1.32 0.00 0.00 178.16 177.38 2jpu h LYS 32 N -0.42 0.00 -0.76 1.82 1.57 -0.63 -0.15 116.57 118.00 2jpu h LYS 32 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jpu h LYS 32 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2jpu h LYS 32 CO 0.03 0.40 0.46 0.00 -0.57 0.00 0.00 179.45 179.78 2jpu h ALA 33 N 1.60 0.97 -0.50 3.86 0.00 -0.65 0.21 119.26 124.75 2jpu h ALA 33 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2jpu h ALA 33 Cb 0.89 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2jpu h ALA 33 CO 0.05 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 2jpu h ALA 34 N 1.25 0.80 -0.49 0.00 0.00 -0.57 -0.59 119.26 119.66 2jpu h ALA 34 Ca 0.27 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jpu h ALA 34 Cb -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2jpu h ALA 34 CO -0.05 0.66 0.15 1.49 0.00 0.00 0.00 179.25 181.50 2jpu h GLU 35 N 0.84 0.30 -0.25 0.00 4.81 -0.49 0.12 114.58 119.90 2jpu h GLU 35 Ca 0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2jpu h GLU 35 Cb 0.70 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2jpu h GLU 35 CO 0.05 0.20 0.13 0.93 -0.73 0.00 0.00 179.01 179.60 2jpu h GLU 36 N 0.31 0.27 -0.64 1.92 4.39 -0.35 -3.17 114.58 117.31 2jpu h GLU 36 Ca 0.24 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 2jpu h GLU 36 Cb 0.28 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2jpu h GLU 36 CO -0.27 0.18 0.29 0.00 -1.16 0.00 0.00 179.01 178.05 2jpu h ALA 37 N 1.12 0.83 -0.26 3.43 0.00 -0.13 -2.68 119.26 121.58 2jpu h ALA 37 Ca 0.10 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jpu h ALA 37 Cb 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2jpu h ALA 37 CO -0.06 0.42 -0.05 0.82 0.00 0.00 0.00 179.25 180.38 2jpu h ILE 38 N 0.89 0.75 -0.04 0.00 1.08 -0.78 -0.76 117.51 118.65 2jpu h ILE 38 Ca 0.22 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.58 2jpu h ILE 38 Cb 0.16 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2jpu h ILE 38 CO -0.02 0.00 -0.44 0.07 -0.69 0.00 0.00 178.15 177.07 2jpu h LYS 39 N 0.02 0.10 -0.78 2.37 2.10 -1.59 -2.18 116.57 116.59 2jpu h LYS 39 Ca 0.13 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 2jpu h LYS 39 Cb 0.19 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 2jpu h LYS 39 CO -0.26 0.52 0.45 -0.07 -2.00 0.00 0.00 179.45 178.09 2jpu h LEU 40 N 0.08 0.95 -0.93 7.07 3.38 -0.93 -2.07 115.31 122.87 2jpu h LEU 40 Ca 0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2jpu h LEU 40 Cb 0.81 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jpu h LEU 40 CO 0.06 0.76 -0.42 -0.07 0.09 0.00 0.00 178.44 178.86 2jpu h LEU 41 N 1.07 0.00 -0.73 1.67 4.07 -0.78 -2.76 115.31 117.85 2jpu h LEU 41 Ca 0.28 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.12 2jpu h LEU 41 Cb -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2jpu h LEU 41 CO -0.05 0.42 -0.27 0.58 -1.08 0.00 0.00 178.44 178.05 2jpu h VAL 42 N 0.00 1.28 -0.67 1.22 2.07 -0.84 -2.61 116.25 116.69 2jpu h VAL 42 Ca -0.00 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2jpu h VAL 42 Cb 0.92 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2jpu h VAL 42 CO 0.06 0.45 0.12 0.40 0.02 0.00 0.00 177.57 178.61 2jpu h ILE 43 N 0.58 1.26 -0.22 4.57 1.08 -1.10 0.11 117.51 123.79 2jpu h ILE 43 Ca 0.08 -1.02 -0.18 0.00 -0.39 0.00 0.00 64.86 63.34 2jpu h ILE 43 Cb 0.76 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2jpu h ILE 43 CO 0.06 0.39 -0.57 1.05 -0.69 0.00 0.00 178.15 178.39 2jpu h GLU 44 N 1.03 0.78 0.00 2.37 4.11 -1.48 -3.05 114.58 118.34 2jpu h GLU 44 Ca 0.21 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2jpu h GLU 44 Cb 0.43 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jpu h GLU 44 CO 0.01 1.17 0.00 0.09 0.07 0.00 0.00 179.01 180.35 2jpu n ASN 45 N -4.06 0.72 -3.19 3.06 3.02 -0.99 -4.96 115.26 108.87 2jpu n ASN 45 Ca -0.06 0.57 -0.07 0.00 -0.03 0.00 0.00 54.58 54.99 2jpu n ASN 45 Cb 0.64 -0.77 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.19 -7.19 -4.23 6.41 2.85 0.35 -4.91 115.26 106.37 2jpu n ASN 46 Ca 0.05 -0.35 -0.43 0.00 -0.11 0.00 0.00 54.58 53.74 2jpu n ASN 46 Cb 0.41 -4.96 0.00 0.00 1.24 0.00 0.00 39.78 36.47 2jpu n ASN 46 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jpu n LEU 47 N -2.35 5.79 0.29 1.20 4.77 -1.01 -4.78 117.00 120.92 2jpu n LEU 47 Ca -0.04 -4.57 0.19 0.00 -0.03 0.00 0.00 56.01 51.56 2jpu n LEU 47 Cb 0.55 -1.55 0.93 0.00 -2.33 0.00 0.00 43.42 41.01 2jpu n LEU 47 CO 0.56 1.02 1.07 0.50 -1.33 0.00 0.00 177.39 179.21 2jpu h LYS 48 N 6.55 0.00 -0.38 3.23 3.64 -1.90 0.34 116.57 128.05 2jpu h LYS 48 Ca 0.34 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2jpu h LYS 48 Cb 0.77 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jpu h LYS 48 CO 1.38 0.00 0.26 1.49 -2.27 0.00 0.00 179.45 180.31 2jpu h GLU 49 N 0.00 0.24 0.05 1.90 4.22 -2.00 -1.50 114.58 117.49 2jpu h GLU 49 Ca 0.00 -0.01 -0.38 0.00 0.08 0.00 0.00 59.36 59.05 2jpu h GLU 49 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2jpu h GLU 49 CO 0.00 0.16 -2.27 -0.89 -2.18 0.00 0.00 179.01 173.83 2jpu n ILE 50 N -4.47 1.61 -0.30 2.32 2.08 0.03 -4.07 119.36 116.56 2jpu n ILE 50 Ca 0.05 -0.61 0.05 0.00 0.56 0.00 0.00 62.75 62.80 2jpu n ILE 50 Cb 0.27 -1.55 0.19 0.00 -0.75 0.00 0.00 39.64 37.81 2jpu n ILE 50 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2jpu h THR 51 N 0.03 0.85 0.00 1.39 2.02 -1.06 0.20 112.91 116.33 2jpu h THR 51 Ca -0.51 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2jpu h THR 51 Cb 1.96 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2jpu h THR 51 CO -0.01 0.14 0.00 -0.55 0.37 0.00 0.00 175.52 175.46 2jpu h ASN 52 N 0.75 0.00 1.09 4.18 7.08 -1.49 -2.98 115.58 124.21 2jpu h ASN 52 Ca 0.43 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.49 2jpu h ASN 52 Cb 0.48 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 2jpu h ASN 52 CO -0.29 0.00 -0.96 -1.13 -2.08 0.00 0.00 177.43 172.97 2jpu h ASN 53 N 0.00 0.00 0.26 6.14 -1.24 -0.87 -3.26 115.58 116.61 2jpu h ASN 53 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2jpu h ASN 53 Cb 0.78 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.83 2jpu h ASN 53 CO 0.00 0.65 -0.06 0.58 -1.29 0.00 0.00 177.43 177.30 2jpu h VAL 54 N 0.00 0.44 0.00 2.57 2.07 -0.76 -2.03 116.25 118.54 2jpu h VAL 54 Ca -0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jpu h VAL 54 Cb 1.56 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2jpu h VAL 54 CO 0.07 0.06 0.00 0.50 0.02 0.00 0.00 177.57 178.22 2jpu h LYS 55 N 0.00 0.00 0.16 1.57 3.64 -1.67 0.99 116.57 121.26 2jpu h LYS 55 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jpu h LYS 55 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jpu h LYS 55 CO 0.01 0.00 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.14 2jpu h ASN 56 N 0.00 -0.18 1.13 4.20 -0.73 -1.61 -3.31 115.58 115.08 2jpu h ASN 56 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2jpu h ASN 56 Cb 0.04 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2jpu h ASN 56 CO 0.00 -0.07 0.00 0.50 -0.37 0.00 0.00 177.43 177.49 2jpu h LYS 57 N -0.34 0.00 0.00 6.67 3.11 -1.70 -3.46 116.57 120.85 2jpu h LYS 57 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2jpu h LYS 57 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2jpu h LYS 57 CO 0.04 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.09 2jpu n GLY 58 N 0.50 2.67 3.07 5.01 0.00 0.33 -4.93 105.19 111.84 2jpu n GLY 58 Ca 0.03 0.00 -0.09 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 -0.03 0.49 0.18 1.61 3.52 -1.25 -4.87 118.95 118.61 2jpu s ARG 59 Ca 0.00 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 2jpu s ARG 59 Cb 0.00 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.49 2jpu s ARG 59 CO 0.00 -0.11 1.28 -1.58 -0.81 0.00 0.00 175.30 174.09 2jpu s TRP 60 N -2.33 3.30 0.00 5.12 0.52 -1.26 -4.88 118.94 119.40 2jpu s TRP 60 Ca -0.08 1.25 0.00 0.00 0.02 0.00 0.00 56.10 57.30 2jpu s TRP 60 Cb -0.03 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.73 2jpu s TRP 60 CO -0.04 -1.74 0.00 1.63 0.02 0.00 0.00 176.95 176.83 2jpu n LYS 61 N 2.76 0.00 -0.01 4.98 4.76 -1.26 -5.02 118.16 124.38 2jpu n LYS 61 Ca 0.06 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.49 2jpu n LYS 61 Cb 0.43 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2jpu n LYS 61 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2jpu n SER 62 N -0.45 0.23 0.05 4.39 3.41 -1.26 -4.45 113.62 115.54 2jpu n SER 62 Ca 0.00 0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 2jpu n SER 62 Cb 0.00 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 2jpu n SER 62 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jpu h GLU 63 N -0.10 -0.12 -0.78 4.33 3.07 -1.98 -1.95 114.58 117.04 2jpu h GLU 63 Ca 0.00 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2jpu h GLU 63 Cb 0.10 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 2jpu h GLU 63 CO 0.00 -0.08 0.51 -0.91 -1.40 0.00 0.00 179.01 177.13 2jpu h ASN 64 N -0.12 0.81 0.23 1.42 2.35 -1.93 -1.69 115.58 116.65 2jpu h ASN 64 Ca 0.03 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.44 2jpu h ASN 64 Cb 0.16 -0.18 0.03 0.00 0.05 0.00 0.00 38.32 38.38 2jpu h ASN 64 CO -0.07 0.55 -1.50 -0.07 -1.65 0.00 0.00 177.43 174.70 2jpu h LEU 65 N 0.94 0.77 -0.68 1.61 3.38 -1.68 -1.94 115.31 117.70 2jpu h LEU 65 Ca 0.32 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 57.23 2jpu h LEU 65 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2jpu h LEU 65 CO -0.10 1.71 -0.38 0.15 0.09 0.00 0.00 178.44 179.91 2jpu h PHE 66 N 0.09 0.70 -0.25 1.13 3.57 -1.26 -0.36 116.94 120.56 2jpu h PHE 66 Ca -0.27 -0.20 -0.11 0.00 3.53 0.00 0.00 57.97 60.92 2jpu h PHE 66 Cb 2.11 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.70 2jpu h PHE 66 CO 0.13 0.88 -0.28 -0.22 -2.23 0.00 0.00 178.31 176.60 2jpu h LYS 67 N 0.49 0.62 -0.23 1.11 3.11 -1.38 -2.99 116.57 117.31 2jpu h LYS 67 Ca 0.05 -0.34 -0.04 0.00 -2.81 0.00 0.00 60.65 57.51 2jpu h LYS 67 Cb 0.88 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 2jpu h LYS 67 CO 0.08 0.94 -0.01 0.00 -2.81 0.00 0.00 179.45 177.65 2jpu h ALA 68 N 0.67 0.30 -0.21 5.00 0.00 -1.20 -2.90 119.26 120.93 2jpu h ALA 68 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jpu h ALA 68 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jpu h ALA 68 CO 0.07 0.04 -0.06 0.66 0.00 0.00 0.00 179.25 179.96 2jpu h SER 69 N 0.16 0.29 -0.15 0.00 4.64 -1.13 0.15 113.55 117.52 2jpu h SER 69 Ca 0.06 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jpu h SER 69 Cb 0.42 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2jpu h SER 69 CO 0.01 0.40 0.09 0.50 -0.87 0.00 0.00 176.83 176.97 2jpu h LYS 70 N 0.31 0.20 -0.21 4.77 3.11 -1.45 -2.60 116.57 120.70 2jpu h LYS 70 Ca 0.07 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 2jpu h LYS 70 Cb 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2jpu h LYS 70 CO 0.01 0.17 -0.18 -0.07 -2.81 0.00 0.00 179.45 176.58 2jpu h LEU 71 N 0.18 0.36 0.00 5.20 3.38 -1.12 -2.77 115.31 120.53 2jpu h LEU 71 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jpu h LEU 71 Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jpu h LEU 71 CO -0.01 0.56 0.00 0.18 0.09 0.00 0.00 178.44 179.26 2jpu n LEU 72 N -4.19 0.00 0.29 1.67 4.77 0.45 -1.04 117.00 118.94 2jpu n LEU 72 Ca -0.00 0.44 0.16 0.00 -0.03 0.00 0.00 56.01 56.57 2jpu n LEU 72 Cb 0.33 -0.44 0.86 0.00 -2.33 0.00 0.00 43.42 41.85 2jpu n LEU 72 CO 0.40 -0.38 1.05 -0.09 -1.33 0.00 0.00 177.39 177.04 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 1.12 -1.47 0.63 114.38 117.89 2jpu h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2jpu h ARG 73 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2jpu h ARG 73 CO 0.00 0.06 0.00 0.43 -3.11 0.00 0.00 179.97 177.35 2jpu n SER 74 N -3.54 0.00 -0.10 -3.80 7.64 -0.21 -3.40 113.62 110.22 2jpu n SER 74 Ca -0.02 0.13 -0.19 0.00 1.01 0.00 0.00 58.87 59.80 2jpu n SER 74 Cb 0.18 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 2jpu n SER 74 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jpu n ASN 75 N -1.35 1.61 -3.78 6.43 5.15 0.10 -5.03 115.26 118.39 2jpu n ASN 75 Ca 0.09 0.28 -0.13 0.00 -0.60 0.00 0.00 54.58 54.22 2jpu n ASN 75 Cb 0.19 -0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 38.67 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jpu s ASN 76 N -6.71 -0.25 0.30 1.20 3.84 -0.52 -5.06 114.94 107.74 2jpu s ASN 76 Ca -0.29 0.49 0.09 0.00 0.21 0.00 0.00 52.86 53.37 2jpu s ASN 76 Cb 0.10 0.47 0.46 0.00 -0.55 0.00 0.00 41.25 41.73 2jpu s ASN 76 CO 0.38 -0.10 1.68 0.74 -2.79 0.00 0.00 177.10 177.01 2jpu h THR 77 N 4.97 1.36 0.00 -5.21 2.02 -1.83 -3.07 112.91 111.14 2jpu h THR 77 Ca -0.28 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.11 2jpu h THR 77 Cb 1.19 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2jpu h THR 77 CO 0.36 0.50 -0.23 -0.33 0.37 0.00 0.00 175.52 176.20 2jpu h GLU 78 N 0.06 0.00 0.11 6.66 5.08 -1.93 -3.36 114.58 121.19 2jpu h GLU 78 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2jpu h GLU 78 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2jpu h GLU 78 CO 0.07 0.23 -0.45 0.82 -1.00 0.00 0.00 179.01 178.67 2jpu h ILE 79 N 0.00 0.11 -0.24 3.13 2.04 -1.86 0.12 117.51 120.81 2jpu h ILE 79 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jpu h ILE 79 Cb 1.00 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jpu h ILE 79 CO 0.03 0.00 0.16 1.55 0.00 0.00 0.00 178.15 179.89 2jpu h PRO 80 N -0.68 0.28 -0.40 2.37 0.13 -1.71 -1.94 132.00 130.05 2jpu h PRO 80 Ca 0.02 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2jpu h PRO 80 Cb 0.70 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2jpu h PRO 80 CO -0.27 0.18 -0.29 0.82 -0.23 0.00 0.00 178.00 178.22 2jpu h ILE 81 N 0.28 1.28 -0.49 -3.56 2.04 -1.45 -1.51 117.51 114.11 2jpu h ILE 81 Ca 0.09 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 2jpu h ILE 81 Cb 0.03 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2jpu h ILE 81 CO -0.02 0.49 0.22 -0.07 0.00 0.00 0.00 178.15 178.77 2jpu h LEU 82 N 0.72 0.65 -0.67 1.44 3.38 -0.05 0.47 115.31 121.24 2jpu h LEU 82 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jpu h LEU 82 Cb 0.87 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jpu h LEU 82 CO 0.08 0.61 0.26 -0.25 0.09 0.00 0.00 178.44 179.22 2jpu h TRP 83 N 0.65 1.04 -0.13 1.13 2.91 -1.37 -0.71 115.95 119.47 2jpu h TRP 83 Ca 0.17 -0.08 -0.13 0.00 1.13 0.00 0.00 58.89 59.97 2jpu h TRP 83 Cb 0.14 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 2jpu h TRP 83 CO -0.00 0.81 -0.48 -0.22 -1.03 0.00 0.00 178.44 177.52 2jpu h LYS 84 N 0.96 0.33 -0.38 2.65 3.64 -0.88 0.18 116.57 123.08 2jpu h LYS 84 Ca 0.22 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jpu h LYS 84 Cb 0.23 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2jpu h LYS 84 CO -0.02 0.74 0.18 1.03 -2.27 0.00 0.00 179.45 179.12 2jpu h SER 85 N 0.27 0.49 -0.67 4.20 0.87 0.36 -1.51 113.55 117.56 2jpu h SER 85 Ca 0.01 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 2jpu h SER 85 Cb 0.94 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 2jpu h SER 85 CO 0.08 0.48 0.17 0.00 -0.53 0.00 0.00 176.83 177.03 2jpu h ALA 86 N 1.03 0.89 -0.60 6.23 0.00 -0.86 -2.32 119.26 123.63 2jpu h ALA 86 Ca 0.13 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2jpu h ALA 86 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jpu h ALA 86 CO -0.02 0.60 0.40 2.35 0.00 0.00 0.00 179.25 182.59 2jpu h TRP 87 N 1.00 0.46 -0.45 0.00 -0.00 -0.69 -1.37 115.95 114.90 2jpu h TRP 87 Ca 0.21 0.01 0.08 0.00 -0.00 0.00 0.00 58.89 59.20 2jpu h TRP 87 Cb 0.36 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.35 2jpu h TRP 87 CO 0.03 0.22 0.30 1.15 -0.00 0.00 0.00 178.44 180.15 2jpu h THR 88 N 0.44 0.90 -0.12 2.65 2.02 -0.69 -0.26 112.91 117.85 2jpu h THR 88 Ca 0.28 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2jpu h THR 88 Cb 0.51 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2jpu h THR 88 CO -0.08 0.04 0.00 -0.07 0.37 0.00 0.00 175.52 175.79 2jpu h LEU 89 N 0.24 0.15 0.00 2.58 3.38 -1.33 -1.24 115.31 119.10 2jpu h LEU 89 Ca 0.20 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2jpu h LEU 89 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2jpu h LEU 89 CO -0.04 0.18 -0.89 0.45 0.09 0.00 0.00 178.44 178.23 2jpu h HIS 90 N 0.17 0.00 -0.34 1.13 3.86 -1.19 -3.27 115.15 115.51 2jpu h HIS 90 Ca 0.04 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2jpu h HIS 90 Cb 0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2jpu h HIS 90 CO 0.00 0.46 -0.10 0.28 0.86 0.00 0.00 177.93 179.43 2jpu h VAL 91 N 0.00 1.23 -0.00 2.45 2.07 -0.79 -1.91 116.25 119.31 2jpu h VAL 91 Ca -0.07 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2jpu h VAL 91 Cb 1.41 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2jpu h VAL 91 CO 0.05 0.34 -0.00 1.21 0.02 0.00 0.00 177.57 179.19 2jpu n GLU 92 N -4.20 0.92 -1.56 1.57 4.07 -0.82 -4.22 120.64 116.40 2jpu n GLU 92 Ca 0.01 -0.04 -0.40 0.00 -0.06 0.00 0.00 57.16 56.66 2jpu n GLU 92 Cb 0.32 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.18 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jpu n GLY 93 N 1.06 4.44 0.10 8.31 0.00 -0.72 -4.64 105.19 113.74 2jpu n GLY 93 Ca 0.22 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 2jpu n GLY 93 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jpu h PHE 94 N 5.27 -0.12 0.00 1.61 3.57 -1.83 -3.45 116.94 121.99 2jpu h PHE 94 Ca 0.75 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.24 2jpu h PHE 94 Cb 0.40 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2jpu h PHE 94 CO 1.70 0.19 -0.88 1.58 -2.23 0.00 0.00 178.31 178.67 2jpu n HIS 95 N -4.83 0.00 -4.27 0.41 -0.00 -1.26 -5.09 115.22 100.18 2jpu n HIS 95 Ca -0.04 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.96 2jpu n HIS 95 Cb 0.17 0.04 -0.11 0.00 -0.12 0.00 0.00 29.99 29.97 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2jpu s GLU 96 N -1.96 1.12 -0.77 1.57 2.02 -1.26 -5.09 118.70 114.32 2jpu s GLU 96 Ca 0.00 -1.36 -0.16 0.00 0.02 0.00 0.00 54.97 53.47 2jpu s GLU 96 Cb 0.00 -0.95 0.16 0.00 0.10 0.00 0.00 34.13 33.44 2jpu s GLU 96 CO 0.00 0.17 0.82 -0.51 0.02 0.00 0.00 175.26 175.76 2jpu s LEU 97 N -2.75 5.98 0.06 1.80 2.01 -1.26 -4.66 118.68 119.87 2jpu s LEU 97 Ca 0.13 -2.17 -0.02 0.00 0.01 0.00 0.00 54.13 52.09 2jpu s LEU 97 Cb -0.03 -2.28 -0.01 0.00 0.01 0.00 0.00 46.19 43.89 2jpu s LEU 97 CO 0.04 -0.84 -0.03 -1.20 1.01 0.00 0.00 176.35 175.32 2jpu n SER 98 N 5.25 1.13 -1.19 2.29 7.64 -1.26 -4.87 113.62 122.62 2jpu n SER 98 Ca 0.08 0.15 0.05 0.00 1.01 0.00 0.00 58.87 60.16 2jpu n SER 98 Cb 0.46 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpu n LEU 99 N -3.56 -1.14 -4.90 -3.43 4.77 -1.26 -4.75 117.00 102.73 2jpu n LEU 99 Ca -0.02 2.11 -0.32 0.00 -0.03 0.00 0.00 56.01 57.76 2jpu n LEU 99 Cb 0.09 -2.28 -0.05 0.00 -2.33 0.00 0.00 43.42 38.85 2jpu n LEU 99 CO 0.02 -0.99 0.03 0.20 -1.33 0.00 0.00 177.39 175.32 2jpu s ASN 100 N -5.44 6.49 0.23 -1.43 0.01 -1.26 -4.99 114.94 108.55 2jpu s ASN 100 Ca 0.00 0.59 0.06 0.00 -0.71 0.00 0.00 52.86 52.80 2jpu s ASN 100 Cb 0.00 -2.09 0.21 0.00 0.41 0.00 0.00 41.25 39.78 2jpu s ASN 100 CO 0.00 0.06 1.53 -0.08 -1.51 0.00 0.00 177.10 177.10 2jpu h GLU 101 N 2.87 0.13 -0.59 -0.60 4.81 -2.00 -3.05 114.58 116.16 2jpu h GLU 101 Ca -0.46 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2jpu h GLU 101 Cb 1.17 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2jpu h GLU 101 CO 0.72 0.76 0.28 -0.22 -0.73 0.00 0.00 179.01 179.83 2jpu h LYS 102 N 0.09 0.51 0.00 1.92 3.11 -2.01 -2.00 116.57 118.19 2jpu h LYS 102 Ca -0.01 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.67 2jpu h LYS 102 Cb 1.22 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 2jpu h LYS 102 CO 0.10 0.34 -0.61 1.49 -2.81 0.00 0.00 179.45 177.95 2jpu h GLU 103 N 0.53 0.00 -0.46 1.90 4.57 -1.96 -2.81 114.58 116.34 2jpu h GLU 103 Ca 0.27 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 2jpu h GLU 103 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2jpu h GLU 103 CO -0.21 0.61 0.18 0.28 -1.18 0.00 0.00 179.01 178.70 2jpu h VAL 104 N 0.00 1.17 -0.75 0.32 2.07 -1.28 -1.47 116.25 116.31 2jpu h VAL 104 Ca -0.01 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.03 2jpu h VAL 104 Cb 1.15 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2jpu h VAL 104 CO 0.08 0.21 0.44 0.11 0.02 0.00 0.00 177.57 178.43 2jpu h LYS 105 N 0.65 0.78 -0.09 1.57 1.79 -1.16 -0.72 116.57 119.40 2jpu h LYS 105 Ca 0.16 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2jpu h LYS 105 Cb 0.13 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2jpu h LYS 105 CO -0.02 0.52 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.59 2jpu h LYS 106 N 0.81 0.19 -0.55 3.15 3.11 -1.38 -3.12 116.57 118.77 2jpu h LYS 106 Ca 0.33 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 2jpu h LYS 106 Cb 0.18 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 2jpu h LYS 106 CO -0.18 0.59 0.36 -0.07 -2.81 0.00 0.00 179.45 177.34 2jpu h LEU 107 N -0.20 0.64 -1.26 5.20 -0.00 -1.03 -1.77 115.31 116.89 2jpu h LEU 107 Ca 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2jpu h LEU 107 Cb 0.55 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 2jpu h LEU 107 CO 0.02 0.48 0.50 0.50 -0.00 0.00 0.00 178.44 179.93 2jpu h LYS 108 N 0.75 0.99 0.09 1.13 3.64 -1.07 -0.11 116.57 121.99 2jpu h LYS 108 Ca 0.20 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 2jpu h LYS 108 Cb -0.07 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.55 2jpu h LYS 108 CO -0.04 0.65 -1.04 1.49 -2.27 0.00 0.00 179.45 178.24 2jpu h GLU 109 N 1.02 0.54 -0.10 1.90 4.81 -1.37 -2.42 114.58 118.96 2jpu h GLU 109 Ca 0.28 -0.70 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2jpu h GLU 109 Cb -0.11 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2jpu h GLU 109 CO -0.06 1.30 -0.06 -0.44 -0.73 0.00 0.00 179.01 179.02 2jpu h ASP 110 N 0.11 -0.19 0.04 1.04 3.32 -0.95 -1.37 116.42 118.42 2jpu h ASP 110 Ca -0.16 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2jpu h ASP 110 Cb 1.74 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.38 2jpu h ASP 110 CO 0.20 -0.08 -0.30 0.58 -1.72 0.00 0.00 179.24 177.92 2jpu h VAL 111 N -0.06 1.27 -0.52 -1.35 2.07 -1.13 -2.48 116.25 114.05 2jpu h VAL 111 Ca 0.06 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2jpu h VAL 111 Cb 0.15 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2jpu h VAL 111 CO -0.14 0.41 0.27 -0.09 0.02 0.00 0.00 177.57 178.04 2jpu h ARG 112 N 0.35 0.72 -0.58 1.57 2.43 -0.91 0.14 114.38 118.10 2jpu h ARG 112 Ca 0.05 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2jpu h ARG 112 Cb 0.71 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 2jpu h ARG 112 CO 0.05 0.55 0.23 0.87 -1.51 0.00 0.00 179.97 180.17 2jpu h LYS 113 N 0.73 0.42 0.08 0.20 1.57 -0.79 -2.84 116.57 115.94 2jpu h LYS 113 Ca 0.19 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 2jpu h LYS 113 Cb 0.05 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.28 2jpu h LYS 113 CO -0.03 0.27 -0.74 1.25 -0.57 0.00 0.00 179.45 179.64 2jpu h LEU 114 N 0.43 0.50 -0.31 2.94 5.85 -1.20 -3.31 115.31 120.21 2jpu h LEU 114 Ca 0.29 -0.87 0.04 0.00 0.84 0.00 0.00 57.88 58.17 2jpu h LEU 114 Cb 0.32 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2jpu h LEU 114 CO -0.27 1.33 0.11 0.58 -0.34 0.00 0.00 178.44 179.84 2jpu h VAL 115 N -0.25 0.91 -0.15 1.05 2.07 -0.74 -0.03 116.25 119.11 2jpu h VAL 115 Ca -0.12 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jpu h VAL 115 Cb 1.52 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2jpu h VAL 115 CO 0.14 0.04 0.10 0.40 0.02 0.00 0.00 177.57 178.28 2jpu h ILE 116 N 0.24 0.99 0.20 4.57 2.04 -1.64 -0.80 117.51 123.11 2jpu h ILE 116 Ca 0.14 -0.04 -0.32 0.00 1.00 0.00 0.00 64.86 65.64 2jpu h ILE 116 Cb 0.11 0.86 0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2jpu h ILE 116 CO -0.15 0.02 -1.38 0.15 0.00 0.00 0.00 178.15 176.80 2jpu h PHE 117 N 0.12 0.89 -0.38 1.37 3.57 -1.37 -2.60 116.94 118.53 2jpu h PHE 117 Ca 0.06 -0.63 -0.02 0.00 3.53 0.00 0.00 57.97 60.91 2jpu h PHE 117 Cb 0.11 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2jpu h PHE 117 CO -0.00 1.48 0.15 0.00 -2.23 0.00 0.00 178.31 177.72 2jpu h ALA 118 N 0.28 0.50 -0.54 2.41 0.00 -0.23 -0.94 119.26 120.74 2jpu h ALA 118 Ca -0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2jpu h ALA 118 Cb 2.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2jpu h ALA 118 CO 0.25 0.10 0.13 0.28 0.00 0.00 0.00 179.25 180.01 2jpu h VAL 119 N 0.47 1.22 0.00 0.00 2.07 -1.26 -1.89 116.25 116.87 2jpu h VAL 119 Ca 0.13 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2jpu h VAL 119 Cb 0.19 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2jpu h VAL 119 CO -0.01 0.30 0.00 -3.20 0.02 0.00 0.00 177.57 174.68 2jpu n ASN 120 N -4.28 0.69 -0.03 0.57 2.85 -0.95 -2.76 115.26 111.36 2jpu n ASN 120 Ca 0.04 0.64 -0.11 0.00 -0.11 0.00 0.00 54.58 55.03 2jpu n ASN 120 Cb 0.23 -0.80 -0.10 0.00 1.24 0.00 0.00 39.78 40.35 2jpu n ASN 120 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2jpu h SER 121 N 0.00 -0.04 0.14 1.20 0.87 -0.33 -3.11 113.55 112.28 2jpu h SER 121 Ca 0.00 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 59.92 2jpu h SER 121 Cb 0.47 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2jpu h SER 121 CO 0.00 0.71 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.87 2jpu h LEU 122 N -0.89 -0.16 -6.45 2.23 4.07 -1.56 -3.35 115.31 109.19 2jpu h LEU 122 Ca -0.01 -0.37 -0.74 0.00 0.08 0.00 0.00 57.88 56.84 2jpu h LEU 122 Cb 0.68 0.04 -0.32 0.00 1.08 0.00 0.00 40.66 42.14 2jpu h LEU 122 CO 0.01 0.42 0.42 -0.62 -1.08 0.00 0.00 178.44 177.59 2jpu n GLU 123 N -4.89 4.19 -2.02 1.13 1.02 -1.11 -5.02 120.64 113.94 2jpu n GLU 123 Ca -0.07 -4.64 -0.43 0.00 -0.02 0.00 0.00 57.16 52.00 2jpu n GLU 123 Cb 0.26 -2.42 -0.03 0.00 -0.02 0.00 0.00 31.44 29.23 2jpu n GLU 123 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jpu s HIS 124 N -3.17 1.94 -0.38 -0.32 2.46 -1.17 -4.68 115.29 109.97 2jpu s HIS 124 Ca 0.37 0.40 0.09 0.00 0.47 0.00 0.00 55.06 56.38 2jpu s HIS 124 Cb 0.13 -3.98 0.44 0.00 -0.13 0.00 0.00 32.58 29.04 2jpu s HIS 124 CO 0.01 -3.42 1.08 1.58 -2.47 0.00 0.00 174.74 171.52 2jpu n HIS 125 N 8.34 2.69 0.00 3.88 -0.00 -1.26 -4.99 115.22 123.88 2jpu n HIS 125 Ca 0.19 -2.87 0.00 0.00 -0.00 0.00 0.00 57.72 55.05 2jpu n HIS 125 Cb 0.44 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2jpu n HIS 125 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 126 N -0.42 0.00 -1.47 1.57 -0.00 -1.26 -4.88 115.22 108.76 2jpu n HIS 126 Ca 0.31 0.00 -0.49 0.00 -0.00 0.00 0.00 57.72 57.54 2jpu n HIS 126 Cb 0.75 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.67 2jpu n HIS 126 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 127 N 0.00 1.64 0.00 1.57 -0.00 -1.26 -4.69 115.22 112.48 2jpu n HIS 127 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2jpu n HIS 127 Cb 0.00 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.43 2jpu n HIS 127 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jpu n HIS 128 N 10.33 0.00 -1.04 1.57 1.44 -1.26 -5.05 115.22 121.20 2jpu n HIS 128 Ca 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 2jpu n HIS 128 Cb 0.27 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.38 2jpu n HIS 128 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11