#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 1.71 0.32 7.83 0.01 -1.26 -5.14 113.70 117.18 2jpu s SER 2 Ca 0.00 -0.49 0.09 0.00 1.31 0.00 0.00 55.95 56.86 2jpu s SER 2 Cb 0.00 0.33 -0.06 0.00 0.21 0.00 0.00 66.02 66.49 2jpu s SER 2 CO 0.00 -0.36 -0.10 0.27 0.41 0.00 0.00 173.24 173.46 2jpu s ILE 3 N 2.31 2.14 -0.43 1.44 -4.36 -1.26 -4.64 121.20 116.40 2jpu s ILE 3 Ca 0.08 -2.21 -0.20 0.00 -0.26 0.00 0.00 60.65 58.06 2jpu s ILE 3 Cb -0.15 -2.57 0.03 0.00 1.25 0.00 0.00 42.46 41.01 2jpu s ILE 3 CO -0.21 -0.24 0.59 -0.24 0.24 0.00 0.00 174.94 175.08 2jpu n SER 4 N -0.73 -7.52 -4.06 4.36 2.88 -1.26 -5.00 113.62 102.28 2jpu n SER 4 Ca -0.05 0.44 -0.30 0.00 -1.33 0.00 0.00 58.87 57.63 2jpu n SER 4 Cb 0.63 -4.71 0.20 0.00 -0.75 0.00 0.00 64.21 59.57 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 -2.37 1.97 0.41 2.46 -4.23 -1.26 -4.80 115.64 107.81 2jpu s THR 5 Ca 0.27 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 2jpu s THR 5 Cb -0.06 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.12 2jpu s THR 5 CO 0.79 0.00 1.98 0.28 -0.54 0.00 0.00 174.62 177.13 2jpu h SER 6 N -1.74 0.48 -0.52 3.99 0.02 -1.98 -1.18 113.55 112.62 2jpu h SER 6 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2jpu h SER 6 Cb 1.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2jpu h SER 6 CO 0.36 0.31 0.26 0.00 -1.14 0.00 0.00 176.83 176.62 2jpu h ALA 7 N 1.68 0.68 -0.36 3.77 0.00 -1.91 -0.03 119.26 123.08 2jpu h ALA 7 Ca 0.27 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jpu h ALA 7 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jpu h ALA 7 CO -0.08 0.23 0.20 1.49 0.00 0.00 0.00 179.25 181.10 2jpu h GLU 8 N 0.70 0.40 0.28 0.00 4.22 -1.58 -0.09 114.58 118.51 2jpu h GLU 8 Ca 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 2jpu h GLU 8 Cb 0.11 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jpu h GLU 8 CO -0.02 0.27 -0.15 0.28 -2.18 0.00 0.00 179.01 177.20 2jpu h VAL 9 N 0.42 0.68 -0.03 0.32 2.07 -0.92 -1.61 116.25 117.18 2jpu h VAL 9 Ca 0.15 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.57 2jpu h VAL 9 Cb 0.02 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2jpu h VAL 9 CO -0.08 0.00 -0.41 1.88 0.02 0.00 0.00 177.57 178.98 2jpu h TYR 10 N -0.41 0.07 -0.55 1.57 0.05 -0.93 -2.31 116.97 114.47 2jpu h TYR 10 Ca -0.03 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 2jpu h TYR 10 Cb 0.33 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 2jpu h TYR 10 CO -0.07 0.46 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.56 2jpu h TYR 11 N 0.05 1.03 -0.62 4.88 3.20 -0.82 -1.32 116.97 123.39 2jpu h TYR 11 Ca 0.00 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 2jpu h TYR 11 Cb 0.75 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2jpu h TYR 11 CO 0.00 0.94 0.18 1.49 -1.64 0.00 0.00 178.16 179.13 2jpu h GLU 12 N 0.87 0.94 -0.56 1.82 4.81 -0.77 0.17 114.58 121.86 2jpu h GLU 12 Ca 0.16 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2jpu h GLU 12 Cb 0.54 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2jpu h GLU 12 CO 0.03 0.82 0.21 0.93 -0.73 0.00 0.00 179.01 180.27 2jpu h GLU 13 N 0.91 0.85 -0.42 1.92 5.08 -1.09 0.19 114.58 122.02 2jpu h GLU 13 Ca 0.20 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jpu h GLU 13 Cb 0.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jpu h GLU 13 CO -0.01 0.75 0.27 0.00 -1.00 0.00 0.00 179.01 179.02 2jpu h ALA 14 N 1.06 0.53 -0.71 3.43 0.00 -0.63 -0.57 119.26 122.37 2jpu h ALA 14 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jpu h ALA 14 Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jpu h ALA 14 CO -0.01 -0.04 0.27 0.93 0.00 0.00 0.00 179.25 180.41 2jpu h GLU 15 N 0.55 1.06 0.19 0.00 4.39 -0.76 -0.57 114.58 119.44 2jpu h GLU 15 Ca 0.16 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2jpu h GLU 15 Cb -0.04 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2jpu h GLU 15 CO -0.05 0.87 -0.09 0.93 -1.16 0.00 0.00 179.01 179.51 2jpu h GLU 16 N 1.04 -0.24 -0.26 2.33 4.39 0.04 -0.37 114.58 121.50 2jpu h GLU 16 Ca 0.24 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.81 2jpu h GLU 16 Cb 0.21 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2jpu h GLU 16 CO -0.02 -0.16 -0.44 0.74 -1.16 0.00 0.00 179.01 177.97 2jpu h PHE 17 N -0.25 0.79 -0.32 4.33 0.04 -1.04 -1.71 116.94 118.77 2jpu h PHE 17 Ca -0.03 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.45 2jpu h PHE 17 Cb 0.19 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2jpu h PHE 17 CO -0.07 0.98 -0.01 1.25 -0.60 0.00 0.00 178.31 179.86 2jpu h LEU 18 N 0.53 0.47 -0.87 1.54 5.85 -0.99 -1.26 115.31 120.58 2jpu h LEU 18 Ca 0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2jpu h LEU 18 Cb 0.97 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2jpu h LEU 18 CO 0.09 0.55 0.00 -1.20 -0.34 0.00 0.00 178.44 177.54 2jpu n SER 19 N -4.28 1.35 0.07 1.25 7.64 -0.16 -3.47 113.62 116.01 2jpu n SER 19 Ca 0.01 -1.47 0.02 0.00 1.01 0.00 0.00 58.87 58.45 2jpu n SER 19 Cb 0.25 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 2jpu n SER 19 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jpu h LYS 20 N 2.08 0.00 0.00 1.43 1.63 -0.29 -3.48 116.57 117.94 2jpu h LYS 20 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jpu h LYS 20 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2jpu h LYS 20 CO 0.00 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.70 2jpu n GLY 21 N 1.33 1.25 2.95 5.01 0.00 -1.17 -5.09 105.19 109.47 2jpu n GLY 21 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.74 2.25 0.19 1.61 2.15 -1.22 -5.01 116.67 114.91 2jpu s ASP 22 Ca 0.00 -0.35 0.06 0.00 0.43 0.00 0.00 52.55 52.69 2jpu s ASP 22 Cb 0.00 -0.93 0.06 0.00 -0.30 0.00 0.00 42.92 41.76 2jpu s ASP 22 CO 0.00 -0.08 1.43 -0.07 -0.17 0.00 0.00 175.17 176.28 2jpu h LEU 23 N 7.95 0.14 0.19 -1.34 3.38 -1.91 -3.30 115.31 120.42 2jpu h LEU 23 Ca -0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2jpu h LEU 23 Cb 1.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jpu h LEU 23 CO 0.45 0.89 -0.09 0.58 0.09 0.00 0.00 178.44 180.36 2jpu h VAL 24 N 0.06 0.89 0.00 1.22 2.07 -1.95 0.12 116.25 118.66 2jpu h VAL 24 Ca -0.02 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2jpu h VAL 24 Cb 1.43 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2jpu h VAL 24 CO 0.12 0.09 -0.05 1.56 0.02 0.00 0.00 177.57 179.30 2jpu h GLN 25 N -0.44 0.00 0.05 1.57 4.20 -1.94 -1.96 115.11 116.60 2jpu h GLN 25 Ca -0.03 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 2jpu h GLN 25 Cb 0.34 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jpu h GLN 25 CO 0.04 0.05 -1.06 0.00 -0.67 0.00 0.00 178.83 177.20 2jpu h ALA 26 N 1.95 0.25 -0.98 3.87 0.00 -1.47 -3.32 119.26 119.56 2jpu h ALA 26 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.16 2jpu h ALA 26 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2jpu h ALA 26 CO 0.01 0.85 0.65 0.00 0.00 0.00 0.00 179.25 180.76 2jpu h GLU 28 N 1.30 0.33 0.00 0.00 4.11 -1.66 -2.79 114.58 115.88 2jpu h GLU 28 Ca 0.37 -0.13 -0.13 0.00 0.07 0.00 0.00 59.36 59.54 2jpu h GLU 28 Cb -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2jpu h GLU 28 CO -0.09 0.61 -0.62 0.87 0.07 0.00 0.00 179.01 179.84 2jpu h LYS 29 N 0.29 0.00 -0.40 1.06 1.79 -1.37 -1.63 116.57 116.31 2jpu h LYS 29 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2jpu h LYS 29 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2jpu h LYS 29 CO 0.05 0.62 0.19 1.88 -1.08 0.00 0.00 179.45 181.12 2jpu h TYR 30 N 0.00 0.58 -0.56 -1.35 0.05 -1.03 0.15 116.97 114.80 2jpu h TYR 30 Ca -0.01 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2jpu h TYR 30 Cb 1.21 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 2jpu h TYR 30 CO 0.00 0.48 0.23 -0.92 -1.05 0.00 0.00 178.16 176.90 2jpu h TYR 31 N 0.51 0.85 0.21 4.88 3.20 -1.34 -1.24 116.97 124.05 2jpu h TYR 31 Ca 0.14 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2jpu h TYR 31 Cb 0.12 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2jpu h TYR 31 CO -0.01 0.69 -0.10 0.87 -1.64 0.00 0.00 178.16 177.96 2jpu h LYS 32 N 0.77 -0.28 -0.85 1.82 1.79 -1.04 0.13 116.57 118.91 2jpu h LYS 32 Ca 0.19 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.73 2jpu h LYS 32 Cb 0.20 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.85 2jpu h LYS 32 CO -0.02 -0.14 0.53 0.00 -1.08 0.00 0.00 179.45 178.74 2jpu h ALA 33 N 0.44 1.16 -0.22 3.86 0.00 -0.60 0.15 119.26 124.04 2jpu h ALA 33 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jpu h ALA 33 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jpu h ALA 33 CO 0.05 0.28 0.02 0.00 0.00 0.00 0.00 179.25 179.60 2jpu h ALA 34 N 1.40 0.30 -0.61 0.00 0.00 -1.06 -1.63 119.26 117.66 2jpu h ALA 34 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jpu h ALA 34 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jpu h ALA 34 CO -0.17 -0.00 0.33 1.49 0.00 0.00 0.00 179.25 180.90 2jpu h GLU 35 N 0.17 0.83 -0.38 0.00 4.81 -0.06 -0.22 114.58 119.73 2jpu h GLU 35 Ca 0.07 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2jpu h GLU 35 Cb 0.36 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2jpu h GLU 35 CO 0.01 0.61 0.12 0.93 -0.73 0.00 0.00 179.01 179.95 2jpu h GLU 36 N 0.84 0.59 -0.61 1.92 4.39 -0.55 -2.74 114.58 118.42 2jpu h GLU 36 Ca 0.22 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.81 2jpu h GLU 36 Cb 0.02 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2jpu h GLU 36 CO -0.04 0.60 0.38 0.00 -1.16 0.00 0.00 179.01 178.80 2jpu h ALA 37 N 0.96 0.79 -0.17 3.43 0.00 -0.43 -2.49 119.26 121.35 2jpu h ALA 37 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2jpu h ALA 37 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jpu h ALA 37 CO -0.00 0.13 -0.03 0.82 0.00 0.00 0.00 179.25 180.17 2jpu h ILE 38 N 0.75 0.85 -0.67 0.00 1.08 -0.90 0.03 117.51 118.66 2jpu h ILE 38 Ca 0.24 -0.01 -0.07 0.00 -0.39 0.00 0.00 64.86 64.64 2jpu h ILE 38 Cb 0.00 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 2jpu h ILE 38 CO -0.09 0.00 0.16 0.07 -0.69 0.00 0.00 178.15 177.60 2jpu h LYS 39 N 0.02 1.06 -0.15 2.37 2.10 -1.32 0.41 116.57 121.06 2jpu h LYS 39 Ca 0.08 -0.25 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 2jpu h LYS 39 Cb 0.12 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 2jpu h LYS 39 CO -0.16 0.94 0.04 -0.07 -2.00 0.00 0.00 179.45 178.20 2jpu h LEU 40 N 1.01 0.03 -0.95 7.07 4.07 -1.06 -2.82 115.31 122.65 2jpu h LEU 40 Ca 0.21 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 2jpu h LEU 40 Cb 0.36 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2jpu h LEU 40 CO 0.00 0.04 0.10 -0.07 -1.08 0.00 0.00 178.44 177.43 2jpu h LEU 41 N 0.10 0.82 -0.51 1.67 4.07 -0.45 -2.73 115.31 118.29 2jpu h LEU 41 Ca 0.07 -0.16 0.09 0.00 0.08 0.00 0.00 57.88 57.95 2jpu h LEU 41 Cb 0.05 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 41.51 2jpu h LEU 41 CO -0.08 0.82 0.11 0.58 -1.08 0.00 0.00 178.44 178.79 2jpu h VAL 42 N 0.83 0.72 -0.10 1.22 2.07 -0.74 -1.24 116.25 119.01 2jpu h VAL 42 Ca 0.18 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jpu h VAL 42 Cb 0.35 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2jpu h VAL 42 CO 0.00 0.05 0.04 0.40 0.02 0.00 0.00 177.57 178.08 2jpu h ILE 43 N 0.25 1.13 -0.86 4.57 1.08 -1.25 -0.70 117.51 121.73 2jpu h ILE 43 Ca 0.26 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2jpu h ILE 43 Cb 0.35 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 2jpu h ILE 43 CO -0.33 0.11 0.49 -0.08 -0.69 0.00 0.00 178.15 177.65 2jpu h GLU 44 N 0.02 1.18 0.00 2.37 4.81 -1.33 -1.83 114.58 119.80 2jpu h GLU 44 Ca 0.03 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2jpu h GLU 44 Cb 0.14 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2jpu h GLU 44 CO -0.00 0.85 0.00 0.09 -0.73 0.00 0.00 179.01 179.22 2jpu n ASN 45 N -4.35 0.00 -1.81 1.04 3.02 -0.49 -4.84 115.26 107.83 2jpu n ASN 45 Ca 0.09 -1.72 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 2jpu n ASN 45 Cb 0.08 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.63 -5.19 -2.32 6.41 5.15 -0.69 -4.86 115.26 113.13 2jpu n ASN 46 Ca 0.06 0.14 -0.19 0.00 -0.60 0.00 0.00 54.58 53.99 2jpu n ASN 46 Cb 0.03 -4.26 -0.13 0.00 -0.53 0.00 0.00 39.78 34.89 2jpu n ASN 46 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2jpu n LEU 47 N -2.38 6.08 0.31 1.20 4.77 -0.29 -4.46 117.00 122.22 2jpu n LEU 47 Ca -0.20 -3.52 0.18 0.00 -0.03 0.00 0.00 56.01 52.44 2jpu n LEU 47 Cb 0.64 -1.43 1.01 0.00 -2.33 0.00 0.00 43.42 41.31 2jpu n LEU 47 CO 0.25 1.78 1.15 0.11 -1.33 0.00 0.00 177.39 179.35 2jpu h LYS 48 N 3.41 0.00 -0.82 3.23 1.57 -1.89 -2.25 116.57 119.82 2jpu h LYS 48 Ca 0.35 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.30 2jpu h LYS 48 Cb 1.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 2jpu h LYS 48 CO 0.61 0.00 0.33 0.93 -0.57 0.00 0.00 179.45 180.75 2jpu h GLU 49 N 0.00 0.42 0.00 3.15 4.39 -1.97 0.70 114.58 121.27 2jpu h GLU 49 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2jpu h GLU 49 Cb 0.03 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2jpu h GLU 49 CO -0.00 0.27 -0.13 0.82 -1.16 0.00 0.00 179.01 178.82 2jpu h ILE 50 N 0.43 1.58 0.00 3.13 5.03 -1.80 -3.28 117.51 122.60 2jpu h ILE 50 Ca 0.48 -2.23 -0.03 0.00 -0.12 0.00 0.00 64.86 62.96 2jpu h ILE 50 Cb 0.80 3.03 -0.00 0.00 -3.03 0.00 0.00 36.82 37.62 2jpu h ILE 50 CO -0.46 0.53 -0.13 0.00 -0.68 0.00 0.00 178.15 177.41 2jpu h THR 51 N -1.00 0.86 0.00 -0.27 1.03 -1.50 0.11 112.91 112.14 2jpu h THR 51 Ca -0.03 -0.48 -0.09 0.00 -0.01 0.00 0.00 66.41 65.79 2jpu h THR 51 Cb 0.96 1.28 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2jpu h THR 51 CO -0.02 0.13 -0.44 0.78 -0.01 0.00 0.00 175.52 175.95 2jpu h ASN 52 N 0.00 0.00 1.37 0.00 4.21 -0.99 -1.20 115.58 118.97 2jpu h ASN 52 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 2jpu h ASN 52 Cb 0.27 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 2jpu h ASN 52 CO 0.02 0.44 -0.64 0.78 -1.29 0.00 0.00 177.43 176.74 2jpu h ASN 53 N 0.00 0.00 1.40 5.81 2.35 -0.90 -3.10 115.58 121.15 2jpu h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jpu h ASN 53 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2jpu h ASN 53 CO 0.06 0.47 -0.04 0.52 -1.65 0.00 0.00 177.43 176.78 2jpu n VAL 54 N -3.14 0.54 0.31 2.81 0.31 -0.38 -3.53 118.33 115.26 2jpu n VAL 54 Ca 0.00 -0.27 0.20 0.00 -0.01 0.00 0.00 64.34 64.26 2jpu n VAL 54 Cb 0.73 -0.55 1.05 0.00 -0.91 0.00 0.00 33.84 34.16 2jpu n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2jpu h LYS 55 N 0.00 0.00 -0.67 5.55 1.79 -1.15 0.58 116.57 122.67 2jpu h LYS 55 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2jpu h LYS 55 Cb 0.72 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 2jpu h LYS 55 CO 0.00 0.00 0.12 -0.97 -1.08 0.00 0.00 179.45 177.52 2jpu h ASN 56 N 0.00 1.06 -1.05 0.86 -1.24 -1.77 -3.44 115.58 109.99 2jpu h ASN 56 Ca 0.00 -0.26 -0.48 0.00 0.71 0.00 0.00 56.30 56.27 2jpu h ASN 56 Cb 0.13 -0.28 0.04 0.00 0.73 0.00 0.00 38.32 38.93 2jpu h ASN 56 CO 0.00 1.05 -0.07 -0.54 -1.29 0.00 0.00 177.43 176.57 2jpu s LYS 57 N -5.23 2.23 -0.02 6.67 -0.14 0.20 -5.04 119.74 118.41 2jpu s LYS 57 Ca -0.12 -1.53 0.19 0.00 -1.36 0.00 0.00 55.97 53.15 2jpu s LYS 57 Cb 0.14 -2.60 -0.28 0.00 -1.68 0.00 0.00 37.83 33.41 2jpu s LYS 57 CO 0.85 -0.92 0.48 0.41 -0.76 0.00 0.00 175.35 175.41 2jpu n GLY 58 N -2.32 -0.84 3.30 -3.33 0.00 -1.26 -4.96 105.19 95.78 2jpu n GLY 58 Ca 0.15 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.21 1.19 0.29 1.61 3.52 -1.26 -5.11 118.95 115.97 2jpu s ARG 59 Ca -0.04 -1.30 -0.29 0.00 -0.13 0.00 0.00 55.73 53.96 2jpu s ARG 59 Cb 0.12 -1.30 -0.10 0.00 -1.56 0.00 0.00 34.95 32.12 2jpu s ARG 59 CO 0.78 0.28 1.44 -1.58 -0.81 0.00 0.00 175.30 175.41 2jpu s TRP 60 N -1.75 2.93 -0.05 5.12 0.52 -1.26 -4.99 118.94 119.47 2jpu s TRP 60 Ca 0.12 1.09 -0.22 0.00 0.02 0.00 0.00 56.10 57.11 2jpu s TRP 60 Cb -0.07 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.36 2jpu s TRP 60 CO 0.05 -2.66 0.64 0.21 0.02 0.00 0.00 176.95 175.21 2jpu s LYS 61 N -0.90 4.39 0.33 4.98 2.20 -1.26 -4.97 119.74 124.51 2jpu s LYS 61 Ca 0.57 0.79 0.06 0.00 -0.36 0.00 0.00 55.97 57.02 2jpu s LYS 61 Cb -0.43 -3.41 0.71 0.00 -1.51 0.00 0.00 37.83 33.20 2jpu s LYS 61 CO 0.48 0.19 1.86 0.66 -0.36 0.00 0.00 175.35 178.18 2jpu h SER 62 N 6.33 0.76 -0.35 1.43 4.64 -1.98 0.32 113.55 124.71 2jpu h SER 62 Ca -0.42 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2jpu h SER 62 Cb 1.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2jpu h SER 62 CO 0.73 0.39 0.20 -0.08 -0.87 0.00 0.00 176.83 177.20 2jpu h GLU 63 N 0.81 0.39 0.00 4.77 4.22 -1.99 -0.30 114.58 122.48 2jpu h GLU 63 Ca 0.47 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.81 2jpu h GLU 63 Cb 0.62 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2jpu h GLU 63 CO -0.23 0.26 -0.37 -0.91 -2.18 0.00 0.00 179.01 175.59 2jpu h ASN 64 N 0.40 0.00 -0.36 1.04 2.35 -1.66 -1.51 115.58 115.85 2jpu h ASN 64 Ca 0.14 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2jpu h ASN 64 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2jpu h ASN 64 CO -0.07 0.37 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.95 2jpu h LEU 65 N 0.00 0.68 -0.70 1.61 3.38 -0.35 0.25 115.31 120.17 2jpu h LEU 65 Ca -0.00 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 2jpu h LEU 65 Cb 1.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jpu h LEU 65 CO 0.05 0.86 -0.32 0.15 0.09 0.00 0.00 178.44 179.27 2jpu h PHE 66 N 0.48 0.74 0.15 1.13 3.57 -0.93 -1.59 116.94 120.49 2jpu h PHE 66 Ca 0.10 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2jpu h PHE 66 Cb 0.54 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2jpu h PHE 66 CO 0.05 0.88 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.63 2jpu h LYS 67 N 0.54 -0.33 -0.24 1.11 3.64 -1.07 0.44 116.57 120.66 2jpu h LYS 67 Ca 0.06 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2jpu h LYS 67 Cb 0.82 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 2jpu h LYS 67 CO 0.07 -0.22 0.02 0.00 -2.27 0.00 0.00 179.45 177.05 2jpu h ALA 68 N 0.47 0.23 -0.64 5.00 0.00 -0.83 0.16 119.26 123.65 2jpu h ALA 68 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jpu h ALA 68 Cb 0.33 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jpu h ALA 68 CO -0.05 -0.41 0.32 0.77 0.00 0.00 0.00 179.25 179.89 2jpu h SER 69 N 0.10 0.81 -0.31 0.00 0.02 -1.12 0.20 113.55 113.25 2jpu h SER 69 Ca 0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2jpu h SER 69 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2jpu h SER 69 CO -0.18 0.67 0.08 0.50 -1.14 0.00 0.00 176.83 176.76 2jpu h LYS 70 N 0.90 0.49 -0.26 3.45 3.11 -0.25 -2.68 116.57 121.32 2jpu h LYS 70 Ca 0.22 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.88 2jpu h LYS 70 Cb 0.07 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.22 2jpu h LYS 70 CO -0.03 0.56 -0.13 -0.07 -2.81 0.00 0.00 179.45 176.96 2jpu h LEU 71 N 0.34 0.43 -1.45 5.20 3.38 -0.40 -2.55 115.31 120.26 2jpu h LEU 71 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jpu h LEU 71 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jpu h LEU 71 CO 0.00 0.59 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 2jpu h LEU 72 N 0.41 0.00 -2.14 1.67 3.38 -0.27 -1.80 115.31 116.56 2jpu h LEU 72 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jpu h LEU 72 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jpu h LEU 72 CO 0.03 0.00 -0.06 -0.09 0.09 0.00 0.00 178.44 178.40 2jpu h ARG 73 N 0.00 0.00 0.00 1.13 1.12 -1.34 0.83 114.38 116.12 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 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2jpu h ARG 73 CO 0.00 0.06 0.00 0.45 -3.11 0.00 0.00 179.97 177.37 2jpu n SER 74 N -3.48 0.18 -0.05 -3.80 2.88 -0.67 -3.59 113.62 105.09 2jpu n SER 74 Ca -0.02 0.54 -0.10 0.00 -1.33 0.00 0.00 58.87 57.96 2jpu n SER 74 Cb 0.19 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.04 2jpu n SER 74 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jpu n ASN 75 N -1.69 1.45 -3.82 -3.46 2.85 0.07 -5.03 115.26 105.64 2jpu n ASN 75 Ca 0.04 0.24 -0.17 0.00 -0.11 0.00 0.00 54.58 54.58 2jpu n ASN 75 Cb 0.22 -0.55 -0.16 0.00 1.24 0.00 0.00 39.78 40.53 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jpu s ASN 76 N -6.16 0.41 0.06 1.20 3.84 0.03 -5.04 114.94 109.28 2jpu s ASN 76 Ca -0.20 -0.03 0.28 0.00 0.21 0.00 0.00 52.86 53.12 2jpu s ASN 76 Cb 0.05 -0.22 1.05 0.00 -0.55 0.00 0.00 41.25 41.58 2jpu s ASN 76 CO 0.27 -0.10 1.84 1.07 -2.79 0.00 0.00 177.10 177.39 2jpu n THR 77 N 4.12 0.18 0.06 -5.21 5.66 -1.25 -3.40 114.28 114.44 2jpu n THR 77 Ca -0.27 -0.09 -0.04 0.00 -3.05 0.00 0.00 64.05 60.60 2jpu n THR 77 Cb 0.50 -0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 68.73 2jpu n THR 77 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2jpu h GLU 78 N 0.00 0.00 0.24 1.09 5.08 -1.93 -3.36 114.58 115.70 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 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2jpu h GLU 78 CO 0.00 0.71 -0.41 0.82 -1.00 0.00 0.00 179.01 179.13 2jpu h ILE 79 N 0.00 0.17 -0.09 3.13 2.04 -1.90 -0.24 117.51 120.61 2jpu h ILE 79 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2jpu h ILE 79 Cb 1.70 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2jpu h ILE 79 CO 0.10 0.00 0.07 1.55 0.00 0.00 0.00 178.15 179.86 2jpu h PRO 80 N -0.72 0.03 0.00 2.37 0.13 -1.73 -1.52 132.00 130.56 2jpu h PRO 80 Ca -0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jpu h PRO 80 Cb 0.70 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2jpu h PRO 80 CO -0.17 0.02 -0.00 0.82 -0.23 0.00 0.00 178.00 178.44 2jpu h ILE 81 N 0.03 1.32 -0.95 -3.56 2.04 -1.51 0.50 117.51 115.39 2jpu h ILE 81 Ca 0.04 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2jpu h ILE 81 Cb 0.13 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2jpu h ILE 81 CO -0.00 0.25 0.58 -0.07 0.00 0.00 0.00 178.15 178.91 2jpu h LEU 82 N -0.42 1.12 -0.55 1.44 3.38 -0.59 -0.84 115.31 118.85 2jpu h LEU 82 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2jpu h LEU 82 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jpu h LEU 82 CO 0.00 0.85 -0.22 -0.25 0.09 0.00 0.00 178.44 178.92 2jpu h TRP 83 N 1.30 1.07 -0.41 1.13 2.91 -1.26 -2.95 115.95 117.73 2jpu h TRP 83 Ca 0.34 -0.25 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 2jpu h TRP 83 Cb -0.08 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.30 2jpu h TRP 83 CO 0.00 1.05 0.12 -0.22 -1.03 0.00 0.00 178.44 178.37 2jpu h LYS 84 N 0.81 0.60 -0.55 2.65 3.64 0.02 0.50 116.57 124.23 2jpu h LYS 84 Ca 0.11 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jpu h LYS 84 Cb 0.78 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2jpu h LYS 84 CO 0.06 0.53 0.32 0.77 -2.27 0.00 0.00 179.45 178.87 2jpu h SER 85 N 0.59 0.68 -0.02 4.20 0.02 -1.03 0.21 113.55 118.20 2jpu h SER 85 Ca 0.14 -0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 2jpu h SER 85 Cb 0.19 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jpu h SER 85 CO -0.01 0.55 -0.68 0.00 -1.14 0.00 0.00 176.83 175.55 2jpu h ALA 86 N 1.16 0.49 -0.43 3.77 0.00 -1.18 -3.07 119.26 120.00 2jpu h ALA 86 Ca 0.20 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2jpu h ALA 86 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2jpu h ALA 86 CO -0.04 0.71 0.18 2.35 0.00 0.00 0.00 179.25 182.45 2jpu h TRP 87 N 0.46 0.32 -0.56 0.00 2.91 0.25 -2.10 115.95 117.23 2jpu h TRP 87 Ca -0.02 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.06 2jpu h TRP 87 Cb 1.28 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.82 2jpu h TRP 87 CO 0.06 0.14 0.37 1.15 -1.03 0.00 0.00 178.44 179.13 2jpu h THR 88 N 0.36 1.02 -0.88 2.65 2.02 -0.53 -0.84 112.91 116.71 2jpu h THR 88 Ca 0.19 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jpu h THR 88 Cb 0.15 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2jpu h THR 88 CO -0.17 0.10 0.56 -0.07 0.37 0.00 0.00 175.52 176.31 2jpu h LEU 89 N 0.57 1.02 -0.22 2.58 3.38 -1.29 -0.17 115.31 121.18 2jpu h LEU 89 Ca 0.23 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 2jpu h LEU 89 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jpu h LEU 89 CO -0.06 0.76 -0.92 -0.74 0.09 0.00 0.00 178.44 177.56 2jpu h HIS 90 N 1.20 0.41 -0.60 1.13 2.76 -1.10 -3.09 115.15 115.84 2jpu h HIS 90 Ca 0.32 -0.23 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 2jpu h HIS 90 Cb -0.11 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2jpu h HIS 90 CO 0.00 1.05 0.03 0.28 -1.30 0.00 0.00 177.93 177.99 2jpu h VAL 91 N 0.15 1.26 -0.00 5.26 2.07 -0.60 -2.14 116.25 122.25 2jpu h VAL 91 Ca -0.06 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2jpu h VAL 91 Cb 1.56 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2jpu h VAL 91 CO 0.15 0.40 0.00 -0.62 0.02 0.00 0.00 177.57 177.52 2jpu n GLU 92 N -4.19 1.01 0.00 1.57 -0.58 -0.14 -3.15 120.64 115.16 2jpu n GLU 92 Ca 0.03 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 2jpu n GLU 92 Cb 0.32 -1.35 0.36 0.00 -0.57 0.00 0.00 31.44 30.21 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jpu n GLY 93 N 0.85 -0.88 0.27 0.62 0.00 -0.80 -2.59 105.19 102.66 2jpu n GLY 93 Ca 0.17 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.19 -0.67 1.61 3.57 -1.74 -1.64 116.94 118.25 2jpu h PHE 94 Ca 0.00 0.00 -0.45 0.00 3.53 0.00 0.00 57.97 61.05 2jpu h PHE 94 Cb 0.19 -0.06 -0.29 0.00 2.79 0.00 0.00 35.95 38.58 2jpu h PHE 94 CO 0.00 0.14 -0.17 -2.39 -2.23 0.00 0.00 178.31 173.66 2jpu n HIS 95 N -4.49 2.29 -0.61 0.41 1.44 -1.07 -5.07 115.22 108.12 2jpu n HIS 95 Ca -0.01 -2.20 0.08 0.00 -2.01 0.00 0.00 57.72 53.57 2jpu n HIS 95 Cb 0.10 -0.66 -0.04 0.00 0.12 0.00 0.00 29.99 29.51 2jpu n HIS 95 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2jpu n GLU 96 N -0.91 -1.38 -1.57 -1.40 -0.58 -0.62 -4.43 120.64 109.76 2jpu n GLU 96 Ca 0.45 1.10 -0.41 0.00 -0.42 0.00 0.00 57.16 57.88 2jpu n GLU 96 Cb 0.92 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 2jpu n GLU 96 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jpu n LEU 97 N -3.10 6.99 -1.79 -4.62 7.99 -1.26 -4.45 117.00 116.76 2jpu n LEU 97 Ca -0.03 -4.05 -0.18 0.00 -0.01 0.00 0.00 56.01 51.74 2jpu n LEU 97 Cb 0.29 -1.58 0.16 0.00 -0.11 0.00 0.00 43.42 42.18 2jpu n LEU 97 CO 0.01 1.18 0.96 -1.20 -1.51 0.00 0.00 177.39 176.84 2jpu n SER 98 N 5.64 3.99 -4.65 -1.43 7.64 -1.26 -4.79 113.62 118.76 2jpu n SER 98 Ca 0.57 -3.73 -0.44 0.00 1.01 0.00 0.00 58.87 56.28 2jpu n SER 98 Cb 0.35 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.80 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpu n LEU 99 N -1.06 2.82 -4.76 -3.43 4.77 -1.26 -4.90 117.00 109.18 2jpu n LEU 99 Ca 0.48 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 57.28 2jpu n LEU 99 Cb 1.17 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2jpu n LEU 99 CO 0.45 -0.80 0.85 0.20 -1.33 0.00 0.00 177.39 176.76 2jpu s ASN 100 N -0.24 5.47 0.18 -1.43 0.01 -1.26 -4.87 114.94 112.81 2jpu s ASN 100 Ca 0.60 2.39 -0.13 0.00 -0.71 0.00 0.00 52.86 55.01 2jpu s ASN 100 Cb -0.64 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 38.55 2jpu s ASN 100 CO 0.58 -1.40 1.81 -0.08 -1.51 0.00 0.00 177.10 176.50 2jpu h GLU 101 N 1.23 0.60 -0.49 -0.60 4.81 -2.00 -1.97 114.58 116.16 2jpu h GLU 101 Ca -0.50 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.74 2jpu h GLU 101 Cb 1.28 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2jpu h GLU 101 CO 0.57 0.40 0.23 -0.22 -0.73 0.00 0.00 179.01 179.25 2jpu h LYS 102 N 0.62 0.44 -0.86 1.92 3.64 -1.99 -0.74 116.57 119.59 2jpu h LYS 102 Ca 0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2jpu h LYS 102 Cb 0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2jpu h LYS 102 CO -0.12 0.29 0.54 0.93 -2.27 0.00 0.00 179.45 178.83 2jpu h GLU 103 N 0.45 1.16 -0.67 1.90 3.07 -1.80 -1.66 114.58 117.04 2jpu h GLU 103 Ca 0.22 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2jpu h GLU 103 Cb 0.16 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2jpu h GLU 103 CO -0.17 0.80 0.38 0.28 -1.40 0.00 0.00 179.01 178.90 2jpu h VAL 104 N 1.18 1.20 -0.37 3.13 2.07 -0.62 0.12 116.25 122.96 2jpu h VAL 104 Ca 0.31 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2jpu h VAL 104 Cb -0.08 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2jpu h VAL 104 CO -0.06 0.22 0.04 0.11 0.02 0.00 0.00 177.57 177.90 2jpu h LYS 105 N 0.91 0.57 -0.02 1.57 1.79 -0.58 -2.52 116.57 118.28 2jpu h LYS 105 Ca 0.24 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 58.45 2jpu h LYS 105 Cb 0.01 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2jpu h LYS 105 CO -0.04 0.56 -0.54 -0.22 -1.08 0.00 0.00 179.45 178.13 2jpu h LYS 106 N 0.55 0.41 -0.96 3.15 3.64 -0.89 -3.34 116.57 119.13 2jpu h LYS 106 Ca 0.12 -0.41 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2jpu h LYS 106 Cb 0.29 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 2jpu h LYS 106 CO 0.00 1.07 0.62 -0.07 -2.27 0.00 0.00 179.45 178.80 2jpu h LEU 107 N -0.09 0.94 -1.26 5.20 -0.00 -0.43 0.68 115.31 120.35 2jpu h LEU 107 Ca -0.06 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 2jpu h LEU 107 Cb 1.24 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.71 2jpu h LEU 107 CO 0.11 0.57 -0.07 0.50 -0.00 0.00 0.00 178.44 179.55 2jpu h LYS 108 N 1.05 0.42 -0.08 1.13 3.64 -1.59 0.26 116.57 121.40 2jpu h LYS 108 Ca 0.44 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 2jpu h LYS 108 Cb 0.30 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2jpu h LYS 108 CO -0.19 0.51 -0.53 0.93 -2.27 0.00 0.00 179.45 177.90 2jpu h GLU 109 N 0.40 0.50 0.09 1.90 4.39 -1.06 0.22 114.58 121.02 2jpu h GLU 109 Ca 0.08 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2jpu h GLU 109 Cb 0.37 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jpu h GLU 109 CO 0.02 1.06 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.42 2jpu h ASP 110 N 0.07 -0.18 -0.84 1.42 5.19 -0.80 -1.65 116.42 119.63 2jpu h ASP 110 Ca -0.04 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 2jpu h ASP 110 Cb 1.19 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 2jpu h ASP 110 CO 0.11 -0.11 0.43 0.58 -3.12 0.00 0.00 179.24 177.12 2jpu h VAL 111 N -0.17 1.26 -0.60 -1.35 2.07 -0.52 -2.49 116.25 114.45 2jpu h VAL 111 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2jpu h VAL 111 Cb 0.15 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2jpu h VAL 111 CO -0.01 0.30 0.27 -0.09 0.02 0.00 0.00 177.57 178.07 2jpu h ARG 112 N 1.20 0.48 -0.80 1.57 2.43 -0.25 0.43 114.38 119.45 2jpu h ARG 112 Ca 0.29 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2jpu h ARG 112 Cb 0.09 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 2jpu h ARG 112 CO -0.04 0.32 0.49 0.87 -1.51 0.00 0.00 179.97 180.10 2jpu h LYS 113 N 0.50 0.88 -0.19 0.20 1.57 -0.86 0.36 116.57 119.02 2jpu h LYS 113 Ca 0.29 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.80 2jpu h LYS 113 Cb 0.28 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2jpu h LYS 113 CO -0.24 0.58 -0.71 1.25 -0.57 0.00 0.00 179.45 179.76 2jpu h LEU 114 N 0.90 0.94 -0.47 2.94 5.85 -0.95 -2.95 115.31 121.56 2jpu h LEU 114 Ca 0.35 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2jpu h LEU 114 Cb 0.15 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jpu h LEU 114 CO -0.17 1.38 0.31 0.58 -0.34 0.00 0.00 178.44 180.20 2jpu h VAL 115 N 0.57 1.11 -0.62 1.05 2.07 0.36 -0.66 116.25 120.13 2jpu h VAL 115 Ca -0.03 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2jpu h VAL 115 Cb 1.33 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2jpu h VAL 115 CO 0.15 0.11 0.41 0.40 0.02 0.00 0.00 177.57 178.67 2jpu h ILE 116 N 0.63 0.98 -0.13 4.57 1.08 -0.92 0.31 117.51 124.03 2jpu h ILE 116 Ca 0.18 -0.20 -0.22 0.00 -0.39 0.00 0.00 64.86 64.23 2jpu h ILE 116 Cb -0.06 0.35 0.01 0.00 -3.07 0.00 0.00 36.82 34.06 2jpu h ILE 116 CO -0.05 0.11 -0.76 0.15 -0.69 0.00 0.00 178.15 176.90 2jpu h PHE 117 N 0.58 1.02 -0.20 1.37 3.04 -1.15 0.31 116.94 121.90 2jpu h PHE 117 Ca 0.27 -0.46 -0.05 0.00 3.98 0.00 0.00 57.97 61.71 2jpu h PHE 117 Cb 0.34 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2jpu h PHE 117 CO -0.00 1.29 -0.08 0.00 -2.02 0.00 0.00 178.31 177.49 2jpu h ALA 118 N 0.52 0.28 -0.26 2.41 0.00 -0.43 -0.16 119.26 121.62 2jpu h ALA 118 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jpu h ALA 118 Cb 1.40 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2jpu h ALA 118 CO 0.16 0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.74 2jpu h VAL 119 N 0.12 0.76 -0.37 0.00 2.07 -0.41 -1.93 116.25 116.49 2jpu h VAL 119 Ca 0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2jpu h VAL 119 Cb 0.56 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2jpu h VAL 119 CO 0.03 0.00 0.17 -1.13 0.02 0.00 0.00 177.57 176.66 2jpu h ASN 120 N 0.02 0.46 -0.82 0.57 -0.73 -0.82 0.24 115.58 114.51 2jpu h ASN 120 Ca 0.12 -0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.30 2jpu h ASN 120 Cb 0.18 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 38.60 2jpu h ASN 120 CO -0.25 0.40 0.51 -1.28 -0.37 0.00 0.00 177.43 176.45 2jpu h SER 121 N 0.52 0.83 0.21 1.15 0.87 -0.20 0.02 113.55 116.95 2jpu h SER 121 Ca 0.13 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.38 2jpu h SER 121 Cb 0.07 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 2jpu h SER 121 CO -0.02 0.56 -2.08 0.18 -0.53 0.00 0.00 176.83 174.94 2jpu n LEU 122 N -4.61 0.35 -2.57 2.23 4.32 -1.06 -4.38 117.00 111.28 2jpu n LEU 122 Ca 0.10 0.16 -0.35 0.00 -0.02 0.00 0.00 56.01 55.90 2jpu n LEU 122 Cb 0.12 0.34 0.05 0.00 -1.62 0.00 0.00 43.42 42.31 2jpu n LEU 122 CO 0.32 0.42 1.26 -0.62 -1.22 0.00 0.00 177.39 177.55 2jpu n GLU 123 N -2.84 2.87 -1.98 3.23 1.02 0.83 -4.95 120.64 118.83 2jpu n GLU 123 Ca -0.25 -3.59 -0.42 0.00 -0.02 0.00 0.00 57.16 52.88 2jpu n GLU 123 Cb 1.08 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2jpu n GLU 123 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jpu s HIS 124 N -3.89 2.12 -0.94 -0.32 3.76 -0.02 -4.68 115.29 111.32 2jpu s HIS 124 Ca 0.57 0.23 0.10 0.00 -0.15 0.00 0.00 55.06 55.80 2jpu s HIS 124 Cb 0.46 -3.93 0.22 0.00 1.11 0.00 0.00 32.58 30.44 2jpu s HIS 124 CO -0.20 -3.86 1.12 1.58 -0.85 0.00 0.00 174.74 172.53 2jpu n HIS 125 N 6.60 0.31 0.06 1.40 -0.00 -1.26 -4.52 115.22 117.81 2jpu n HIS 125 Ca 0.17 -0.37 0.12 0.00 0.46 0.00 0.00 57.72 58.10 2jpu n HIS 125 Cb 0.42 -0.02 0.59 0.00 -0.12 0.00 0.00 29.99 30.86 2jpu n HIS 125 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jpu h HIS 126 N 1.86 0.18 -2.00 1.57 6.17 -1.94 -3.38 115.15 117.61 2jpu h HIS 126 Ca 0.00 0.00 -0.50 0.00 0.71 0.00 0.00 60.37 60.58 2jpu h HIS 126 Cb 0.63 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.48 2jpu h HIS 126 CO 0.15 0.09 1.42 -1.58 0.71 0.00 0.00 177.93 178.73 2jpu s HIS 127 N -5.19 1.52 -0.41 5.26 5.04 -1.26 -4.84 115.29 115.40 2jpu s HIS 127 Ca -0.06 0.95 -0.31 0.00 -1.54 0.00 0.00 55.06 54.10 2jpu s HIS 127 Cb 0.19 -3.96 -0.10 0.00 0.04 0.00 0.00 32.58 28.74 2jpu s HIS 127 CO 0.72 -2.51 2.30 1.58 -2.34 0.00 0.00 174.74 174.48 2jpu n HIS 128 N 13.14 1.54 0.00 3.88 -0.00 -1.26 -5.16 115.22 127.35 2jpu n HIS 128 Ca 0.25 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.60 2jpu n HIS 128 Cb 0.52 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 2jpu n HIS 128 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41