#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu n SER 2 N 0.00 0.00 -4.10 6.12 7.64 -1.26 -5.03 113.62 116.99 2jpu n SER 2 Ca 0.00 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 60.01 2jpu n SER 2 Cb 0.00 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2jpu n SER 2 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2jpu s ILE 3 N -0.52 0.00 -0.62 0.44 -4.36 -1.26 -5.11 121.20 109.78 2jpu s ILE 3 Ca 0.00 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 2jpu s ILE 3 Cb 0.00 -2.35 0.19 0.00 1.25 0.00 0.00 42.46 41.54 2jpu s ILE 3 CO 0.00 -0.00 0.50 -1.54 0.24 0.00 0.00 174.94 174.14 2jpu n SER 4 N -0.32 2.21 -4.90 4.36 3.41 -1.26 -5.04 113.62 112.08 2jpu n SER 4 Ca 0.00 -3.03 -0.28 0.00 -0.26 0.00 0.00 58.87 55.30 2jpu n SER 4 Cb 0.64 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jpu s THR 5 N -1.27 4.96 0.42 6.66 -4.23 -1.26 -4.95 115.64 115.99 2jpu s THR 5 Ca 0.29 0.14 0.11 0.00 -1.18 0.00 0.00 61.69 61.05 2jpu s THR 5 Cb 0.01 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.39 2jpu s THR 5 CO -0.15 -0.48 2.02 0.77 -0.54 0.00 0.00 174.62 176.24 2jpu h SER 6 N 1.25 0.41 0.25 3.99 4.64 -1.98 -0.73 113.55 121.38 2jpu h SER 6 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2jpu h SER 6 Cb 1.19 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2jpu h SER 6 CO 0.64 0.27 -0.17 0.00 -0.87 0.00 0.00 176.83 176.70 2jpu h ALA 7 N 1.72 -0.39 -0.23 5.18 0.00 -1.86 0.21 119.26 123.88 2jpu h ALA 7 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jpu h ALA 7 Cb 0.28 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jpu h ALA 7 CO -0.06 -0.73 0.15 0.93 0.00 0.00 0.00 179.25 179.53 2jpu h GLU 8 N -0.41 0.29 0.05 0.00 4.39 -1.75 -0.64 114.58 116.51 2jpu h GLU 8 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jpu h GLU 8 Cb 0.35 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2jpu h GLU 8 CO 0.01 0.19 -0.06 0.28 -1.16 0.00 0.00 179.01 178.28 2jpu h VAL 9 N 0.30 0.87 0.00 3.13 2.07 -0.93 -0.33 116.25 121.35 2jpu h VAL 9 Ca 0.09 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 2jpu h VAL 9 Cb -0.02 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2jpu h VAL 9 CO -0.03 0.00 -0.50 1.88 0.02 0.00 0.00 177.57 178.94 2jpu h TYR 10 N -0.13 0.00 -0.45 1.57 0.05 -0.55 0.13 116.97 117.60 2jpu h TYR 10 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2jpu h TYR 10 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2jpu h TYR 10 CO -0.10 0.50 -0.21 -0.92 -1.05 0.00 0.00 178.16 176.38 2jpu h TYR 11 N 0.00 1.02 -0.30 4.88 3.20 -0.89 -0.92 116.97 123.96 2jpu h TYR 11 Ca -0.01 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.53 2jpu h TYR 11 Cb 1.07 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2jpu h TYR 11 CO 0.00 1.02 -0.20 1.49 -1.64 0.00 0.00 178.16 178.82 2jpu h GLU 12 N 0.78 0.56 -0.32 1.82 4.81 -0.55 -1.47 114.58 120.21 2jpu h GLU 12 Ca 0.11 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2jpu h GLU 12 Cb 0.76 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2jpu h GLU 12 CO 0.06 0.73 0.20 0.93 -0.73 0.00 0.00 179.01 180.20 2jpu h GLU 13 N 0.50 0.43 -0.98 1.92 4.39 -0.67 -0.60 114.58 119.57 2jpu h GLU 13 Ca 0.08 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2jpu h GLU 13 Cb 0.63 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 2jpu h GLU 13 CO 0.04 0.31 0.64 0.00 -1.16 0.00 0.00 179.01 178.85 2jpu h ALA 14 N 1.09 1.37 -0.43 3.43 0.00 -0.76 0.78 119.26 124.74 2jpu h ALA 14 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jpu h ALA 14 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2jpu h ALA 14 CO -0.02 0.54 0.24 0.93 0.00 0.00 0.00 179.25 180.93 2jpu h GLU 15 N 1.23 0.60 -0.31 0.00 4.39 -0.87 0.11 114.58 119.73 2jpu h GLU 15 Ca 0.39 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 2jpu h GLU 15 Cb 0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2jpu h GLU 15 CO -0.12 0.48 0.19 1.49 -1.16 0.00 0.00 179.01 179.89 2jpu h GLU 16 N 0.56 0.42 0.00 2.33 4.81 -0.20 -2.49 114.58 120.02 2jpu h GLU 16 Ca 0.15 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 2jpu h GLU 16 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2jpu h GLU 16 CO -0.02 0.33 -0.40 0.74 -0.73 0.00 0.00 179.01 178.93 2jpu h PHE 17 N 0.40 0.00 -0.88 0.92 0.04 -0.71 -0.80 116.94 115.91 2jpu h PHE 17 Ca 0.11 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.89 2jpu h PHE 17 Cb 0.02 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 2jpu h PHE 17 CO -0.04 0.40 0.58 1.25 -0.60 0.00 0.00 178.31 179.89 2jpu h LEU 18 N 0.00 1.01 0.00 1.54 5.85 -0.37 -1.23 115.31 122.11 2jpu h LEU 18 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jpu h LEU 18 Cb 0.76 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jpu h LEU 18 CO 0.05 0.74 -0.16 -1.54 -0.34 0.00 0.00 178.44 177.19 2jpu n SER 19 N -4.46 0.41 0.07 1.25 3.41 -0.91 -2.83 113.62 110.56 2jpu n SER 19 Ca 0.09 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 2jpu n SER 19 Cb 0.02 -0.39 0.38 0.00 -0.26 0.00 0.00 64.21 63.96 2jpu n SER 19 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jpu n LYS 20 N -1.81 0.20 -1.79 4.33 3.00 -0.35 -4.93 118.16 116.80 2jpu n LYS 20 Ca 0.06 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2jpu n LYS 20 Cb 0.38 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.71 2jpu n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jpu n GLY 21 N 1.37 0.41 3.01 3.14 0.00 -0.72 -5.03 105.19 107.35 2jpu n GLY 21 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.98 4.32 0.22 1.61 -1.08 -0.86 -4.98 116.67 112.93 2jpu s ASP 22 Ca 0.00 -1.50 0.01 0.00 -0.52 0.00 0.00 52.55 50.54 2jpu s ASP 22 Cb 0.00 -1.43 0.21 0.00 -1.46 0.00 0.00 42.92 40.25 2jpu s ASP 22 CO 0.00 -0.25 1.55 -0.07 0.52 0.00 0.00 175.17 176.92 2jpu h LEU 23 N 7.81 0.42 -0.00 -1.34 3.38 -1.94 -2.81 115.31 120.82 2jpu h LEU 23 Ca -0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2jpu h LEU 23 Cb 1.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jpu h LEU 23 CO 0.46 0.89 -0.00 0.58 0.09 0.00 0.00 178.44 180.46 2jpu h VAL 24 N 0.29 1.39 -0.79 1.22 2.07 -1.93 -1.66 116.25 116.83 2jpu h VAL 24 Ca 0.00 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.41 2jpu h VAL 24 Cb 1.07 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 2jpu h VAL 24 CO 0.09 0.30 0.51 1.56 0.02 0.00 0.00 177.57 180.05 2jpu h GLN 25 N -0.49 0.96 0.02 1.57 1.08 -1.95 -1.09 115.11 115.22 2jpu h GLN 25 Ca 0.00 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2jpu h GLN 25 Cb 0.49 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2jpu h GLN 25 CO 0.00 0.64 -0.08 0.00 -0.95 0.00 0.00 178.83 178.44 2jpu h ALA 26 N 1.33 -0.10 -0.31 3.87 0.00 -1.42 -1.36 119.26 121.27 2jpu h ALA 26 Ca 0.31 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2jpu h ALA 26 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jpu h ALA 26 CO -0.11 -0.58 0.18 0.00 0.00 0.00 0.00 179.25 178.74 2jpu h GLU 28 N 0.37 0.34 0.22 0.00 4.81 -1.08 -0.61 114.58 118.62 2jpu h GLU 28 Ca 0.12 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 58.95 2jpu h GLU 28 Cb -0.00 -0.05 0.04 0.00 0.63 0.00 0.00 28.75 29.37 2jpu h GLU 28 CO -0.05 0.44 -1.38 0.87 -0.73 0.00 0.00 179.01 178.15 2jpu h LYS 29 N 0.32 0.56 0.00 1.92 6.56 -0.73 -2.47 116.57 122.73 2jpu h LYS 29 Ca 0.07 -0.89 0.00 0.00 -1.06 0.00 0.00 60.65 58.77 2jpu h LYS 29 Cb 0.36 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2jpu h LYS 29 CO 0.02 1.42 0.00 0.10 -2.06 0.00 0.00 179.45 178.93 2jpu h TYR 30 N 0.15 0.00 -0.52 -1.35 -0.00 -1.22 -1.94 116.97 112.09 2jpu h TYR 30 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.47 2jpu h TYR 30 Cb 2.08 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.78 2jpu h TYR 30 CO 0.13 0.00 0.21 -0.92 -0.00 0.00 0.00 178.16 177.58 2jpu h TYR 31 N 0.00 0.79 -0.18 0.10 3.20 -1.03 -0.57 116.97 119.28 2jpu h TYR 31 Ca 0.00 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2jpu h TYR 31 Cb 0.70 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2jpu h TYR 31 CO 0.00 0.65 -0.25 0.87 -1.64 0.00 0.00 178.16 177.80 2jpu h LYS 32 N 0.70 0.32 -0.41 1.82 1.79 -0.95 -2.31 116.57 117.54 2jpu h LYS 32 Ca 0.17 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 2jpu h LYS 32 Cb 0.20 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2jpu h LYS 32 CO -0.01 0.56 -0.09 0.00 -1.08 0.00 0.00 179.45 178.82 2jpu h ALA 33 N 1.45 1.08 0.09 3.86 0.00 -1.01 -2.13 119.26 122.61 2jpu h ALA 33 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jpu h ALA 33 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jpu h ALA 33 CO 0.04 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.82 2jpu h ALA 34 N 1.25 -0.12 -0.66 0.00 0.00 -0.62 -1.53 119.26 117.60 2jpu h ALA 34 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jpu h ALA 34 Cb 0.53 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2jpu h ALA 34 CO 0.03 -0.38 0.14 1.05 0.00 0.00 0.00 179.25 180.09 2jpu h GLU 35 N -0.49 1.05 0.00 0.00 4.11 -1.44 0.24 114.58 118.05 2jpu h GLU 35 Ca -0.01 -0.25 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 2jpu h GLU 35 Cb 0.41 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jpu h GLU 35 CO 0.02 0.94 -0.31 0.93 0.07 0.00 0.00 179.01 180.66 2jpu h GLU 36 N 1.00 0.00 -0.03 1.06 4.39 -1.40 -0.56 114.58 119.04 2jpu h GLU 36 Ca 0.21 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.66 2jpu h GLU 36 Cb 0.38 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2jpu h GLU 36 CO 0.00 0.31 -0.93 0.00 -1.16 0.00 0.00 179.01 177.24 2jpu h ALA 37 N 1.69 0.15 -0.46 3.43 0.00 -0.58 -2.90 119.26 120.59 2jpu h ALA 37 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2jpu h ALA 37 Cb 0.66 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2jpu h ALA 37 CO 0.04 0.63 0.25 0.82 0.00 0.00 0.00 179.25 180.99 2jpu h ILE 38 N 0.34 1.01 -0.08 0.00 1.08 -0.47 -1.43 117.51 117.95 2jpu h ILE 38 Ca -0.11 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 2jpu h ILE 38 Cb 1.59 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2jpu h ILE 38 CO 0.18 0.09 -0.09 0.07 -0.69 0.00 0.00 178.15 177.71 2jpu h LYS 39 N 0.50 0.12 -0.34 2.37 5.09 -1.18 -2.05 116.57 121.08 2jpu h LYS 39 Ca 0.19 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.89 2jpu h LYS 39 Cb 0.06 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.35 2jpu h LYS 39 CO -0.11 0.22 0.15 -0.07 -2.09 0.00 0.00 179.45 177.55 2jpu h LEU 40 N 0.12 0.46 -1.43 7.07 3.38 -1.06 -2.64 115.31 121.20 2jpu h LEU 40 Ca 0.03 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jpu h LEU 40 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2jpu h LEU 40 CO 0.01 0.49 0.39 -0.07 0.09 0.00 0.00 178.44 179.35 2jpu h LEU 41 N 0.41 0.66 0.57 1.67 4.07 -0.73 0.60 115.31 122.56 2jpu h LEU 41 Ca 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2jpu h LEU 41 Cb 0.16 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jpu h LEU 41 CO -0.01 0.47 -0.28 0.58 -1.08 0.00 0.00 178.44 178.12 2jpu h VAL 42 N 0.78 0.42 -0.01 1.22 2.07 -1.11 -2.71 116.25 116.91 2jpu h VAL 42 Ca 0.22 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 2jpu h VAL 42 Cb -0.07 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2jpu h VAL 42 CO -0.05 0.00 -0.74 0.40 0.02 0.00 0.00 177.57 177.20 2jpu h ILE 43 N -0.78 1.51 0.00 4.57 2.04 -1.33 -2.79 117.51 120.74 2jpu h ILE 43 Ca -0.08 -2.47 -0.00 0.00 1.00 0.00 0.00 64.86 63.31 2jpu h ILE 43 Cb 0.60 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2jpu h ILE 43 CO 0.12 0.71 -0.01 -0.33 0.00 0.00 0.00 178.15 178.64 2jpu h GLU 44 N 0.03 0.00 0.00 2.37 4.39 -0.81 -3.37 114.58 117.20 2jpu h GLU 44 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jpu h GLU 44 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2jpu h GLU 44 CO 0.10 0.01 0.00 0.09 -1.16 0.00 0.00 179.01 178.06 2jpu n ASN 45 N -3.59 0.00 0.00 1.42 3.02 -1.03 -4.92 115.26 110.16 2jpu n ASN 45 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2jpu n ASN 45 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.20 0.00 -3.58 6.41 4.05 -1.07 -5.06 115.26 115.81 2jpu n ASN 46 Ca 0.00 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.62 2jpu n ASN 46 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 2jpu n ASN 46 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2jpu n LEU 47 N 0.00 7.38 0.12 1.20 4.77 -1.13 -4.69 117.00 124.64 2jpu n LEU 47 Ca 0.00 -4.16 0.07 0.00 -0.03 0.00 0.00 56.01 51.89 2jpu n LEU 47 Cb 0.00 -1.60 0.54 0.00 -2.33 0.00 0.00 43.42 40.03 2jpu n LEU 47 CO 0.00 1.37 1.12 0.50 -1.33 0.00 0.00 177.39 179.06 2jpu h LYS 48 N 5.74 0.25 -0.93 3.23 3.11 -1.97 -1.17 116.57 124.82 2jpu h LYS 48 Ca 0.67 -0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.60 2jpu h LYS 48 Cb 0.52 -0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.62 2jpu h LYS 48 CO 1.85 0.17 0.60 0.93 -2.81 0.00 0.00 179.45 180.18 2jpu h GLU 49 N 0.26 0.87 0.18 1.90 5.08 -2.01 -0.76 114.58 120.10 2jpu h GLU 49 Ca 0.09 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 2jpu h GLU 49 Cb 0.06 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jpu h GLU 49 CO -0.02 0.58 -1.48 0.82 -1.00 0.00 0.00 179.01 177.90 2jpu h ILE 50 N 0.90 1.12 -0.98 3.13 5.03 -1.63 -3.28 117.51 121.80 2jpu h ILE 50 Ca 0.45 -2.54 0.12 0.00 -0.12 0.00 0.00 64.86 62.77 2jpu h ILE 50 Cb 0.48 2.88 -0.08 0.00 -3.03 0.00 0.00 36.82 37.07 2jpu h ILE 50 CO -0.21 0.79 0.61 0.74 -0.68 0.00 0.00 178.15 179.41 2jpu h THR 51 N -0.04 0.93 -0.63 -0.27 2.02 -0.95 0.16 112.91 114.13 2jpu h THR 51 Ca -0.29 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2jpu h THR 51 Cb 1.98 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2jpu h THR 51 CO 0.17 0.18 0.35 0.78 0.37 0.00 0.00 175.52 177.37 2jpu h ASN 52 N 0.98 0.78 1.38 4.18 2.35 -1.25 -1.00 115.58 123.00 2jpu h ASN 52 Ca 0.48 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2jpu h ASN 52 Cb 0.46 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2jpu h ASN 52 CO -0.26 0.64 0.00 0.78 -1.65 0.00 0.00 177.43 176.94 2jpu h ASN 53 N 0.85 0.00 0.80 5.81 2.35 -1.18 -2.47 115.58 121.74 2jpu h ASN 53 Ca 0.22 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.73 2jpu h ASN 53 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2jpu h ASN 53 CO -0.04 0.00 -1.16 0.58 -1.65 0.00 0.00 177.43 175.16 2jpu h VAL 54 N 0.00 1.56 0.00 2.81 2.07 -0.52 -3.08 116.25 119.09 2jpu h VAL 54 Ca 0.00 -3.21 0.00 0.00 0.82 0.00 0.00 66.70 64.31 2jpu h VAL 54 Cb 0.69 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2jpu h VAL 54 CO 0.00 0.91 0.00 0.50 0.02 0.00 0.00 177.57 179.00 2jpu h LYS 55 N 0.03 0.00 0.26 1.57 3.64 -0.75 0.16 116.57 121.48 2jpu h LYS 55 Ca -0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2jpu h LYS 55 Cb 1.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2jpu h LYS 55 CO 0.16 0.00 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.24 2jpu h ASN 56 N 0.00 -0.30 1.58 4.20 -1.24 -1.38 -3.27 115.58 115.18 2jpu h ASN 56 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2jpu h ASN 56 Cb 0.41 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2jpu h ASN 56 CO 0.00 0.20 -0.06 0.50 -1.29 0.00 0.00 177.43 176.78 2jpu h LYS 57 N -1.00 0.00 0.00 6.67 3.11 -1.58 -3.47 116.57 120.31 2jpu h LYS 57 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2jpu h LYS 57 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 2jpu h LYS 57 CO 0.06 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.11 2jpu n GLY 58 N 1.25 2.53 3.40 5.01 0.00 0.53 -4.95 105.19 112.95 2jpu n GLY 58 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.22 1.21 -0.00 1.61 6.06 -1.06 -4.88 118.95 121.67 2jpu s ARG 59 Ca 0.00 -0.88 -0.30 0.00 -2.50 0.00 0.00 55.73 52.05 2jpu s ARG 59 Cb 0.00 0.47 -0.05 0.00 0.06 0.00 0.00 34.95 35.43 2jpu s ARG 59 CO 0.00 -0.48 1.29 -1.58 -2.50 0.00 0.00 175.30 172.03 2jpu s TRP 60 N -3.87 3.10 0.00 5.12 0.52 -1.26 -4.77 118.94 117.78 2jpu s TRP 60 Ca 0.09 1.05 0.00 0.00 0.02 0.00 0.00 56.10 57.26 2jpu s TRP 60 Cb 0.01 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.80 2jpu s TRP 60 CO -0.06 -1.83 0.00 1.63 0.02 0.00 0.00 176.95 176.72 2jpu n LYS 61 N 4.98 0.00 0.03 4.98 4.76 -1.26 -5.05 118.16 126.60 2jpu n LYS 61 Ca 0.11 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 2jpu n LYS 61 Cb 0.45 -0.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 2jpu n LYS 61 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jpu n SER 62 N -1.76 -0.52 -0.30 4.39 2.88 -1.26 -4.95 113.62 112.09 2jpu n SER 62 Ca 0.00 0.43 0.14 0.00 -1.33 0.00 0.00 58.87 58.12 2jpu n SER 62 Cb 0.00 0.82 0.39 0.00 -0.75 0.00 0.00 64.21 64.67 2jpu n SER 62 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2jpu h GLU 63 N 0.00 0.63 -0.62 -1.46 4.81 -2.00 -0.59 114.58 115.35 2jpu h GLU 63 Ca 0.00 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2jpu h GLU 63 Cb 0.00 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.16 2jpu h GLU 63 CO 0.00 0.42 0.21 -0.91 -0.73 0.00 0.00 179.01 177.99 2jpu h ASN 64 N 0.65 0.17 0.46 1.04 4.21 -1.96 -1.85 115.58 118.30 2jpu h ASN 64 Ca 0.51 0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.99 2jpu h ASN 64 Cb 0.92 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 2jpu h ASN 64 CO -0.27 0.10 -0.53 -0.07 -1.29 0.00 0.00 177.43 175.37 2jpu h LEU 65 N 0.37 0.08 -0.23 1.61 3.38 -1.50 -0.72 115.31 118.30 2jpu h LEU 65 Ca 0.32 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2jpu h LEU 65 Cb 0.42 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jpu h LEU 65 CO -0.34 0.59 -0.24 -0.26 0.09 0.00 0.00 178.44 178.29 2jpu h PHE 66 N 0.06 0.67 -0.32 1.13 0.04 -1.17 -1.60 116.94 115.75 2jpu h PHE 66 Ca -0.00 -0.20 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 2jpu h PHE 66 Cb 0.95 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 2jpu h PHE 66 CO 0.01 0.90 -0.31 -0.22 -0.60 0.00 0.00 178.31 178.09 2jpu h LYS 67 N 0.25 0.76 -0.18 1.51 3.64 -1.26 -1.36 116.57 119.93 2jpu h LYS 67 Ca 0.03 -0.40 0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2jpu h LYS 67 Cb 0.79 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 2jpu h LYS 67 CO 0.06 1.02 -0.16 0.00 -2.27 0.00 0.00 179.45 178.11 2jpu h ALA 68 N 0.73 -0.03 0.00 5.00 0.00 -1.12 0.44 119.26 124.28 2jpu h ALA 68 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2jpu h ALA 68 Cb 0.88 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jpu h ALA 68 CO 0.08 -0.59 -0.50 0.66 0.00 0.00 0.00 179.25 178.89 2jpu h SER 69 N -0.17 0.00 -0.48 0.00 4.64 -1.27 -0.21 113.55 116.06 2jpu h SER 69 Ca 0.11 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2jpu h SER 69 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2jpu h SER 69 CO -0.28 0.50 0.20 0.50 -0.87 0.00 0.00 176.83 176.87 2jpu h LYS 70 N 0.00 0.72 -0.09 4.77 3.11 -0.60 -1.55 116.57 122.93 2jpu h LYS 70 Ca -0.01 -0.13 -0.18 0.00 -2.81 0.00 0.00 60.65 57.52 2jpu h LYS 70 Cb 0.95 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2jpu h LYS 70 CO 0.07 0.65 -0.71 -0.07 -2.81 0.00 0.00 179.45 176.57 2jpu h LEU 71 N 0.64 0.52 -1.09 5.20 3.38 -0.62 -2.94 115.31 120.40 2jpu h LEU 71 Ca 0.16 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jpu h LEU 71 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jpu h LEU 71 CO -0.01 1.07 0.00 -0.07 0.09 0.00 0.00 178.44 179.52 2jpu h LEU 72 N 0.31 0.00 -2.24 1.67 3.38 -0.85 -2.48 115.31 115.10 2jpu h LEU 72 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jpu h LEU 72 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2jpu h LEU 72 CO 0.12 0.00 -0.05 -0.09 0.09 0.00 0.00 178.44 178.51 2jpu h ARG 73 N 0.00 0.00 0.00 1.13 1.12 -1.09 -0.13 114.38 115.41 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 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2jpu h ARG 73 CO 0.00 0.05 0.00 0.77 -3.11 0.00 0.00 179.97 177.68 2jpu h SER 74 N 0.00 0.00 0.06 -3.80 0.02 -1.61 -2.96 113.55 105.26 2jpu h SER 74 Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 2jpu h SER 74 Cb 0.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2jpu h SER 74 CO 0.01 0.00 -2.26 -3.20 -1.14 0.00 0.00 176.83 170.24 2jpu n ASN 75 N -2.75 2.03 -3.60 3.07 4.05 -0.20 -4.91 115.26 112.95 2jpu n ASN 75 Ca 0.03 0.02 -0.11 0.00 0.45 0.00 0.00 54.58 54.98 2jpu n ASN 75 Cb 0.40 -0.61 -0.11 0.00 1.23 0.00 0.00 39.78 40.70 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2jpu s ASN 76 N -6.75 0.10 0.52 1.20 2.47 -0.36 -5.04 114.94 107.09 2jpu s ASN 76 Ca -0.29 0.68 0.25 0.00 0.42 0.00 0.00 52.86 53.92 2jpu s ASN 76 Cb 0.08 1.06 1.46 0.00 -1.45 0.00 0.00 41.25 42.39 2jpu s ASN 76 CO 0.68 -0.25 2.10 0.74 -3.72 0.00 0.00 177.10 176.65 2jpu h THR 77 N 6.22 0.66 0.00 -5.21 2.02 -1.78 -2.35 112.91 112.48 2jpu h THR 77 Ca -0.16 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2jpu h THR 77 Cb 1.12 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2jpu h THR 77 CO 0.16 0.10 0.00 -0.33 0.37 0.00 0.00 175.52 175.82 2jpu h GLU 78 N 0.00 0.00 0.41 6.66 5.08 -1.93 -3.35 114.58 121.45 2jpu h GLU 78 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jpu h GLU 78 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jpu h GLU 78 CO 0.01 0.00 -0.37 0.82 -1.00 0.00 0.00 179.01 178.47 2jpu h ILE 79 N 0.00 0.24 -0.01 3.13 2.04 -1.75 0.13 117.51 121.29 2jpu h ILE 79 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jpu h ILE 79 Cb 0.63 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2jpu h ILE 79 CO 0.00 0.00 -0.15 1.55 0.00 0.00 0.00 178.15 179.55 2jpu h PRO 80 N -0.80 0.01 -0.44 2.37 0.13 -1.73 -0.22 132.00 131.32 2jpu h PRO 80 Ca -0.04 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2jpu h PRO 80 Cb 0.70 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2jpu h PRO 80 CO -0.04 0.16 0.00 0.82 -0.23 0.00 0.00 178.00 178.71 2jpu h ILE 81 N 0.01 1.26 -0.04 -3.56 2.04 -1.54 -0.85 117.51 114.82 2jpu h ILE 81 Ca 0.00 -1.04 -0.17 0.00 1.00 0.00 0.00 64.86 64.66 2jpu h ILE 81 Cb 0.27 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2jpu h ILE 81 CO 0.02 0.36 -0.72 -0.07 0.00 0.00 0.00 178.15 177.74 2jpu h LEU 82 N 0.63 0.27 -0.98 1.44 3.38 -0.28 -2.83 115.31 116.94 2jpu h LEU 82 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jpu h LEU 82 Cb 0.49 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2jpu h LEU 82 CO 0.02 0.90 0.44 -0.25 0.09 0.00 0.00 178.44 179.64 2jpu h TRP 83 N 0.15 1.15 -0.57 1.13 2.91 -0.87 -2.35 115.95 117.50 2jpu h TRP 83 Ca -0.02 -0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.05 2jpu h TRP 83 Cb 1.28 -0.36 -0.07 0.00 -0.51 0.00 0.00 29.16 29.49 2jpu h TRP 83 CO 0.03 0.80 0.19 -0.22 -1.03 0.00 0.00 178.44 178.20 2jpu h LYS 84 N 1.16 0.34 -0.36 2.65 3.11 -0.91 0.12 116.57 122.69 2jpu h LYS 84 Ca 0.29 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.17 2jpu h LYS 84 Cb 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.15 2jpu h LYS 84 CO -0.04 0.23 0.04 0.77 -2.81 0.00 0.00 179.45 177.63 2jpu h SER 85 N 0.35 -0.06 -0.35 4.20 0.02 -1.32 0.12 113.55 116.52 2jpu h SER 85 Ca 0.28 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2jpu h SER 85 Cb 0.35 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2jpu h SER 85 CO -0.31 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.30 2jpu h ALA 86 N 1.29 0.48 0.00 3.77 0.00 -1.12 -2.85 119.26 120.83 2jpu h ALA 86 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 86 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jpu h ALA 86 CO -0.26 0.33 -0.21 2.35 0.00 0.00 0.00 179.25 181.45 2jpu h TRP 87 N 0.46 0.00 -0.75 0.00 2.91 -0.43 -2.14 115.95 116.00 2jpu h TRP 87 Ca 0.09 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 2jpu h TRP 87 Cb 0.59 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.20 2jpu h TRP 87 CO 0.05 0.21 0.45 1.15 -1.03 0.00 0.00 178.44 179.27 2jpu h THR 88 N 0.00 1.21 0.00 2.65 2.02 -0.52 -1.02 112.91 117.25 2jpu h THR 88 Ca -0.00 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2jpu h THR 88 Cb 0.43 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2jpu h THR 88 CO 0.03 0.22 -0.08 -0.07 0.37 0.00 0.00 175.52 175.98 2jpu h LEU 89 N 1.03 0.00 0.00 2.58 3.38 -1.38 0.11 115.31 121.03 2jpu h LEU 89 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2jpu h LEU 89 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jpu h LEU 89 CO -0.05 0.08 -0.19 -0.74 0.09 0.00 0.00 178.44 177.63 2jpu h HIS 90 N 0.00 0.00 -0.02 1.13 2.76 -1.28 -3.21 115.15 114.54 2jpu h HIS 90 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jpu h HIS 90 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2jpu h HIS 90 CO 0.00 0.36 -0.08 0.28 -1.30 0.00 0.00 177.93 177.19 2jpu h VAL 91 N -1.00 1.51 -0.57 5.26 2.07 -1.21 -3.30 116.25 119.00 2jpu h VAL 91 Ca -0.03 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2jpu h VAL 91 Cb 0.43 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2jpu h VAL 91 CO -0.02 0.43 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 2jpu n GLU 92 N -4.69 2.70 -2.27 1.57 1.02 0.38 -4.49 120.64 114.85 2jpu n GLU 92 Ca -0.09 -2.22 -0.43 0.00 -0.02 0.00 0.00 57.16 54.41 2jpu n GLU 92 Cb 0.37 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jpu n GLY 93 N 1.28 4.52 0.47 0.62 0.00 -1.20 -4.81 105.19 106.08 2jpu n GLY 93 Ca 0.20 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2jpu n GLY 93 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jpu n PHE 94 N 4.57 0.00 0.00 1.61 3.72 -1.18 -4.86 117.46 121.32 2jpu n PHE 94 Ca 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 2jpu n PHE 94 Cb 0.38 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2jpu n PHE 94 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jpu n HIS 95 N 0.03 0.00 0.04 1.38 -0.00 -1.26 -4.00 115.22 111.40 2jpu n HIS 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jpu n HIS 95 Cb 0.21 0.00 0.31 0.00 -0.00 0.00 0.00 29.99 30.51 2jpu n HIS 95 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2jpu h GLU 96 N 0.00 0.43 -3.97 1.57 4.39 -1.98 -3.30 114.58 111.72 2jpu h GLU 96 Ca 0.00 -0.10 -0.77 0.00 0.34 0.00 0.00 59.36 58.83 2jpu h GLU 96 Cb 0.00 -0.06 -0.26 0.00 -0.10 0.00 0.00 28.75 28.34 2jpu h GLU 96 CO 0.00 0.52 -0.10 -0.51 -1.16 0.00 0.00 179.01 177.76 2jpu s LEU 97 N -8.92 6.37 0.00 1.33 2.01 -1.26 -4.86 118.68 113.35 2jpu s LEU 97 Ca -0.07 -2.24 0.22 0.00 0.01 0.00 0.00 54.13 52.06 2jpu s LEU 97 Cb 0.15 -2.18 0.47 0.00 0.01 0.00 0.00 46.19 44.65 2jpu s LEU 97 CO 0.76 -0.70 1.42 -0.24 1.01 0.00 0.00 176.35 178.60 2jpu n SER 98 N 4.59 3.57 -0.87 2.29 2.88 -1.25 -3.09 113.62 121.75 2jpu n SER 98 Ca -0.00 -1.99 0.05 0.00 -1.33 0.00 0.00 58.87 55.60 2jpu n SER 98 Cb 0.43 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.57 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpu n LEU 99 N 1.49 0.00 -4.84 2.46 4.77 -1.26 -4.92 117.00 114.71 2jpu n LEU 99 Ca 0.20 0.42 -0.21 0.00 -0.03 0.00 0.00 56.01 56.39 2jpu n LEU 99 Cb 0.60 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.46 2jpu n LEU 99 CO 0.16 -1.49 -0.09 0.20 -1.33 0.00 0.00 177.39 174.84 2jpu s ASN 100 N -4.68 5.19 0.47 -1.43 0.01 -1.26 -4.98 114.94 108.25 2jpu s ASN 100 Ca 0.00 -0.54 0.17 0.00 -0.71 0.00 0.00 52.86 51.78 2jpu s ASN 100 Cb 0.00 -0.92 1.15 0.00 0.41 0.00 0.00 41.25 41.89 2jpu s ASN 100 CO 0.00 -0.36 1.99 -0.08 -1.51 0.00 0.00 177.10 177.14 2jpu h GLU 101 N 1.28 0.26 -0.65 -0.60 4.81 -1.99 -1.37 114.58 116.33 2jpu h GLU 101 Ca -0.44 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 2jpu h GLU 101 Cb 1.25 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 2jpu h GLU 101 CO 0.59 0.17 0.08 -0.22 -0.73 0.00 0.00 179.01 178.91 2jpu h LYS 102 N 0.27 0.19 -0.09 1.92 3.64 -2.00 0.28 116.57 120.79 2jpu h LYS 102 Ca 0.26 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2jpu h LYS 102 Cb 0.68 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2jpu h LYS 102 CO -0.06 0.12 -0.10 0.93 -2.27 0.00 0.00 179.45 178.08 2jpu h GLU 103 N 0.19 0.22 -0.53 1.90 3.07 -1.66 -3.24 114.58 114.53 2jpu h GLU 103 Ca 0.35 -0.12 0.07 0.00 -0.50 0.00 0.00 59.36 59.16 2jpu h GLU 103 Cb 0.56 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 2jpu h GLU 103 CO -0.49 0.67 0.21 0.28 -1.40 0.00 0.00 179.01 178.27 2jpu h VAL 104 N -0.21 0.84 -0.63 3.13 2.07 -0.75 0.13 116.25 120.82 2jpu h VAL 104 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jpu h VAL 104 Cb 0.63 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2jpu h VAL 104 CO 0.02 0.07 0.33 0.11 0.02 0.00 0.00 177.57 178.13 2jpu h LYS 105 N 0.40 0.88 0.00 1.57 1.57 -0.57 -1.67 116.57 118.76 2jpu h LYS 105 Ca 0.26 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2jpu h LYS 105 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jpu h LYS 105 CO -0.25 0.66 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.94 2jpu h LYS 106 N 0.89 0.09 -0.87 3.15 3.64 -1.41 -3.34 116.57 118.71 2jpu h LYS 106 Ca 0.22 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2jpu h LYS 106 Cb 0.05 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2jpu h LYS 106 CO -0.03 0.88 0.57 -0.07 -2.27 0.00 0.00 179.45 178.52 2jpu h LEU 107 N -0.66 0.76 -1.28 5.20 -0.00 -0.49 0.12 115.31 118.96 2jpu h LEU 107 Ca -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2jpu h LEU 107 Cb 0.93 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.42 2jpu h LEU 107 CO 0.03 0.44 0.49 0.07 -0.00 0.00 0.00 178.44 179.47 2jpu h LYS 108 N 0.84 0.95 0.00 1.13 2.10 -1.44 -0.81 116.57 119.35 2jpu h LYS 108 Ca 0.41 -0.06 -0.13 0.00 -2.00 0.00 0.00 60.65 58.87 2jpu h LYS 108 Cb 0.44 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 2jpu h LYS 108 CO -0.17 0.63 -0.82 0.93 -2.00 0.00 0.00 179.45 178.02 2jpu h GLU 109 N 0.98 0.00 -0.63 0.07 5.08 -0.98 0.85 114.58 119.96 2jpu h GLU 109 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2jpu h GLU 109 Cb -0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2jpu h GLU 109 CO -0.06 0.45 0.29 -0.44 -1.00 0.00 0.00 179.01 178.24 2jpu h ASP 110 N 0.00 0.84 -0.08 1.42 3.32 -0.40 0.38 116.42 121.89 2jpu h ASP 110 Ca -0.05 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 2jpu h ASP 110 Cb 1.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2jpu h ASP 110 CO 0.06 0.75 -0.51 0.58 -1.72 0.00 0.00 179.24 178.40 2jpu h VAL 111 N 0.87 1.30 -0.81 -1.35 2.07 -1.10 -3.04 116.25 114.20 2jpu h VAL 111 Ca 0.21 -1.72 0.08 0.00 0.82 0.00 0.00 66.70 66.09 2jpu h VAL 111 Cb 0.15 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2jpu h VAL 111 CO -0.02 0.55 0.47 -0.09 0.02 0.00 0.00 177.57 178.49 2jpu h ARG 112 N 0.51 0.79 -0.75 1.57 2.43 -0.42 0.16 114.38 118.67 2jpu h ARG 112 Ca 0.02 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2jpu h ARG 112 Cb 1.06 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.36 2jpu h ARG 112 CO 0.10 0.52 0.40 -0.22 -1.51 0.00 0.00 179.97 179.26 2jpu h LYS 113 N 0.81 0.66 -0.21 0.20 3.64 -0.82 0.68 116.57 121.53 2jpu h LYS 113 Ca 0.38 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2jpu h LYS 113 Cb 0.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2jpu h LYS 113 CO -0.22 0.44 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.31 2jpu h LEU 114 N 0.68 0.38 -0.30 5.20 4.07 -1.00 -2.74 115.31 121.60 2jpu h LEU 114 Ca 0.36 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2jpu h LEU 114 Cb 0.35 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2jpu h LEU 114 CO -0.25 0.62 0.14 0.58 -1.08 0.00 0.00 178.44 178.45 2jpu h VAL 115 N 0.13 1.16 -0.46 1.22 2.07 -0.19 0.95 116.25 121.13 2jpu h VAL 115 Ca 0.06 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2jpu h VAL 115 Cb 0.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2jpu h VAL 115 CO 0.01 0.16 0.31 0.40 0.02 0.00 0.00 177.57 178.47 2jpu h ILE 116 N 0.35 1.08 -0.03 4.57 2.04 -0.93 0.48 117.51 125.08 2jpu h ILE 116 Ca 0.10 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 2jpu h ILE 116 Cb 0.13 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2jpu h ILE 116 CO -0.01 0.10 -0.45 0.15 0.00 0.00 0.00 178.15 177.94 2jpu h PHE 117 N 0.57 0.50 0.35 1.37 3.57 -1.05 -1.95 116.94 120.30 2jpu h PHE 117 Ca 0.18 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jpu h PHE 117 Cb 0.01 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2jpu h PHE 117 CO -0.00 1.05 -0.17 0.00 -2.23 0.00 0.00 178.31 176.96 2jpu h ALA 118 N 0.35 -0.46 -0.24 2.41 0.00 -0.49 -2.87 119.26 117.94 2jpu h ALA 118 Ca -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2jpu h ALA 118 Cb 1.15 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jpu h ALA 118 CO 0.09 -0.68 -0.05 0.28 0.00 0.00 0.00 179.25 178.89 2jpu h VAL 119 N -0.62 1.18 -0.60 0.00 2.07 -1.01 -1.77 116.25 115.50 2jpu h VAL 119 Ca -0.05 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2jpu h VAL 119 Cb 0.45 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2jpu h VAL 119 CO 0.08 0.24 0.35 -1.13 0.02 0.00 0.00 177.57 177.13 2jpu h ASN 120 N 0.36 0.71 0.49 0.57 -0.73 -1.27 -0.10 115.58 115.61 2jpu h ASN 120 Ca 0.08 -0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.10 2jpu h ASN 120 Cb 0.33 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2jpu h ASN 120 CO 0.01 0.56 -0.48 -1.28 -0.37 0.00 0.00 177.43 175.87 2jpu h SER 121 N 0.82 0.00 0.60 1.15 0.87 -1.10 -1.50 113.55 114.39 2jpu h SER 121 Ca 0.21 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.57 2jpu h SER 121 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2jpu h SER 121 CO -0.04 0.48 -0.89 -0.07 -0.53 0.00 0.00 176.83 175.78 2jpu h LEU 122 N 0.00 0.25 -0.01 2.23 -0.00 -1.06 -3.02 115.31 113.71 2jpu h LEU 122 Ca -0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2jpu h LEU 122 Cb 0.86 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2jpu h LEU 122 CO 0.06 1.02 -0.01 -0.62 -0.00 0.00 0.00 178.44 178.90 2jpu n GLU 123 N -3.64 0.29 -3.44 1.13 1.02 -0.18 -4.65 120.64 111.17 2jpu n GLU 123 Ca -0.04 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.71 2jpu n GLU 123 Cb 0.82 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.71 3.27 0.11 -0.32 2.46 -0.60 -5.00 115.29 112.50 2jpu s HIS 124 Ca 0.24 0.40 -0.33 0.00 0.47 0.00 0.00 55.06 55.84 2jpu s HIS 124 Cb 0.20 -2.51 -0.12 0.00 -0.13 0.00 0.00 32.58 30.02 2jpu s HIS 124 CO 0.49 -0.15 1.57 0.45 -2.47 0.00 0.00 174.74 174.62 2jpu h HIS 125 N 7.98 -1.44 -3.68 3.88 3.86 -1.84 -3.41 115.15 120.51 2jpu h HIS 125 Ca -0.33 0.05 -0.68 0.00 -1.16 0.00 0.00 60.37 58.25 2jpu h HIS 125 Cb 1.17 0.63 -0.27 0.00 1.06 0.00 0.00 27.41 29.99 2jpu h HIS 125 CO 0.73 -0.55 -0.80 -1.58 0.86 0.00 0.00 177.93 176.59 2jpu s HIS 126 N -5.80 2.68 0.20 2.45 5.65 -1.26 -5.10 115.29 114.12 2jpu s HIS 126 Ca -0.16 -0.54 -0.30 0.00 0.25 0.00 0.00 55.06 54.31 2jpu s HIS 126 Cb 0.07 -1.72 -0.08 0.00 -1.18 0.00 0.00 32.58 29.67 2jpu s HIS 126 CO 0.62 -0.11 1.05 -1.58 -0.65 0.00 0.00 174.74 174.07 2jpu s HIS 127 N -0.08 3.71 -1.17 3.88 2.46 -1.26 -4.96 115.29 117.87 2jpu s HIS 127 Ca -0.03 1.72 -0.20 0.00 0.47 0.00 0.00 55.06 57.01 2jpu s HIS 127 Cb -0.14 -3.18 0.06 0.00 -0.13 0.00 0.00 32.58 29.19 2jpu s HIS 127 CO 0.04 -0.25 1.60 -1.01 -2.47 0.00 0.00 174.74 172.65 2jpu s HIS 128 N -0.61 2.69 0.00 3.88 3.76 -1.26 -5.16 115.29 118.59 2jpu s HIS 128 Ca 0.46 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2jpu s HIS 128 Cb -0.28 -4.72 0.00 0.00 1.11 0.00 0.00 32.58 28.69 2jpu s HIS 128 CO 0.35 -1.86 0.00 1.58 -0.85 0.00 0.00 174.74 173.96