#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 6.15 -4.83 6.12 7.64 -1.26 -4.95 113.62 122.48 2jpu n SER 2 Ca 0.00 -3.32 -0.28 0.00 1.01 0.00 0.00 58.87 56.27 2jpu n SER 2 Cb 0.00 -1.34 -0.04 0.00 -1.01 0.00 0.00 64.21 61.82 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 -1.77 1.57 -1.04 0.44 -4.36 -1.26 -4.74 121.20 110.03 2jpu s ILE 3 Ca 0.36 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 59.02 2jpu s ILE 3 Cb 0.08 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.54 2jpu s ILE 3 CO 0.04 0.00 0.43 -0.24 0.24 0.00 0.00 174.94 175.42 2jpu n SER 4 N -1.52 -4.65 -4.56 4.36 2.88 -1.26 -4.99 113.62 103.87 2jpu n SER 4 Ca -0.08 -0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 56.97 2jpu n SER 4 Cb 0.65 -3.50 0.14 0.00 -0.75 0.00 0.00 64.21 60.76 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 -2.98 1.96 0.36 2.46 -4.23 -1.26 -4.71 115.64 107.25 2jpu s THR 5 Ca 0.22 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.83 2jpu s THR 5 Cb -0.09 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.21 2jpu s THR 5 CO 0.27 0.00 1.87 0.77 -0.54 0.00 0.00 174.62 176.98 2jpu h SER 6 N -1.50 0.62 -0.33 3.99 4.64 -1.98 0.80 113.55 119.78 2jpu h SER 6 Ca -0.47 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2jpu h SER 6 Cb 1.30 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2jpu h SER 6 CO 0.55 0.30 0.21 0.00 -0.87 0.00 0.00 176.83 177.02 2jpu h ALA 7 N 1.60 0.42 -0.27 5.18 0.00 -1.92 0.14 119.26 124.42 2jpu h ALA 7 Ca 0.45 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 2jpu h ALA 7 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jpu h ALA 7 CO -0.21 -0.13 -0.42 0.93 0.00 0.00 0.00 179.25 179.42 2jpu h GLU 8 N 0.44 0.65 -0.18 0.00 5.08 -1.48 -2.05 114.58 117.03 2jpu h GLU 8 Ca 0.12 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2jpu h GLU 8 Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jpu h GLU 8 CO -0.04 0.95 0.10 0.28 -1.00 0.00 0.00 179.01 179.30 2jpu h VAL 9 N 0.53 1.11 -0.93 3.13 2.07 -0.52 -0.19 116.25 121.46 2jpu h VAL 9 Ca 0.04 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jpu h VAL 9 Cb 0.95 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2jpu h VAL 9 CO 0.09 0.11 0.62 1.88 0.02 0.00 0.00 177.57 180.28 2jpu h TYR 10 N 0.18 1.17 -0.52 1.57 0.05 -0.69 -0.59 116.97 118.14 2jpu h TYR 10 Ca 0.06 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 2jpu h TYR 10 Cb 0.09 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 2jpu h TYR 10 CO -0.03 0.74 0.06 -0.92 -1.05 0.00 0.00 178.16 176.95 2jpu h TYR 11 N 1.26 0.89 -0.56 4.88 3.20 -1.04 0.01 116.97 125.61 2jpu h TYR 11 Ca 0.34 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 2jpu h TYR 11 Cb -0.14 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.86 2jpu h TYR 11 CO -0.01 0.78 -0.05 1.49 -1.64 0.00 0.00 178.16 178.74 2jpu h GLU 12 N 0.80 1.02 -0.34 1.82 4.81 -0.33 -0.82 114.58 121.54 2jpu h GLU 12 Ca 0.16 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 2jpu h GLU 12 Cb 0.39 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2jpu h GLU 12 CO 0.01 1.02 -0.14 0.93 -0.73 0.00 0.00 179.01 180.11 2jpu h GLU 13 N 0.92 0.59 -0.49 1.92 5.08 -0.65 0.97 114.58 122.92 2jpu h GLU 13 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jpu h GLU 13 Cb 0.60 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2jpu h GLU 13 CO 0.04 0.71 0.27 0.00 -1.00 0.00 0.00 179.01 179.03 2jpu h ALA 14 N 1.32 0.63 -0.32 3.43 0.00 -0.61 -0.19 119.26 123.52 2jpu h ALA 14 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jpu h ALA 14 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jpu h ALA 14 CO 0.03 0.15 0.12 0.93 0.00 0.00 0.00 179.25 180.48 2jpu h GLU 15 N 0.65 0.44 0.22 0.00 4.39 -0.60 -0.90 114.58 118.78 2jpu h GLU 15 Ca 0.17 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2jpu h GLU 15 Cb 0.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jpu h GLU 15 CO -0.03 0.38 -0.10 0.93 -1.16 0.00 0.00 179.01 179.03 2jpu h GLU 16 N 0.44 -0.28 0.00 2.33 4.39 -0.01 -2.96 114.58 118.49 2jpu h GLU 16 Ca 0.11 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 2jpu h GLU 16 Cb 0.11 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2jpu h GLU 16 CO -0.01 0.04 -0.37 0.74 -1.16 0.00 0.00 179.01 178.24 2jpu h PHE 17 N -0.62 0.00 -0.86 4.33 0.04 -0.90 0.38 116.94 119.31 2jpu h PHE 17 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2jpu h PHE 17 Cb 0.45 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 2jpu h PHE 17 CO 0.03 0.37 0.55 1.25 -0.60 0.00 0.00 178.31 179.91 2jpu h LEU 18 N 0.00 1.00 0.00 1.54 5.85 -1.15 0.18 115.31 122.73 2jpu h LEU 18 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jpu h LEU 18 Cb 0.67 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jpu h LEU 18 CO 0.05 0.74 -0.82 -1.20 -0.34 0.00 0.00 178.44 176.87 2jpu n SER 19 N -4.39 0.65 0.13 1.25 7.64 -0.90 -3.61 113.62 114.39 2jpu n SER 19 Ca 0.10 -0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.94 2jpu n SER 19 Cb 0.04 0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.00 0.00 0.00 1.43 1.63 -0.29 -3.47 116.57 115.87 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 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2jpu h LYS 20 CO 0.00 0.59 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 2jpu n GLY 21 N 0.94 1.10 3.20 5.01 0.00 -0.32 -5.04 105.19 110.08 2jpu n GLY 21 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2jpu n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jpu s ASP 22 N -2.00 6.49 0.14 1.61 1.01 0.47 -4.89 116.67 119.51 2jpu s ASP 22 Ca 0.00 -3.64 -0.16 0.00 0.71 0.00 0.00 52.55 49.46 2jpu s ASP 22 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2jpu s ASP 22 CO 0.00 -0.23 1.76 -0.07 0.21 0.00 0.00 175.17 176.84 2jpu h LEU 23 N 6.31 0.49 -0.06 1.23 3.38 -1.90 -1.96 115.31 122.80 2jpu h LEU 23 Ca 0.16 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jpu h LEU 23 Cb 0.84 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2jpu h LEU 23 CO 0.91 0.42 -0.11 0.58 0.09 0.00 0.00 178.44 180.33 2jpu h VAL 24 N 0.51 0.71 0.00 1.22 2.07 -1.90 0.23 116.25 119.10 2jpu h VAL 24 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2jpu h VAL 24 Cb 0.03 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2jpu h VAL 24 CO -0.02 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.89 2jpu h GLN 25 N -0.15 0.00 -0.09 1.57 4.20 -1.93 -2.41 115.11 116.29 2jpu h GLN 25 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2jpu h GLN 25 Cb 0.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.02 2jpu h GLN 25 CO -0.15 0.23 -0.45 0.00 -0.67 0.00 0.00 178.83 177.80 2jpu h ALA 26 N 1.77 0.17 -0.12 3.87 0.00 -0.51 -2.86 119.26 121.58 2jpu h ALA 26 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2jpu h ALA 26 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2jpu h ALA 26 CO 0.03 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.45 2jpu h GLU 28 N -0.19 0.26 -0.10 0.00 5.08 -1.54 -1.56 114.58 116.52 2jpu h GLU 28 Ca 0.09 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2jpu h GLU 28 Cb 0.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jpu h GLU 28 CO -0.24 0.21 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.55 2jpu h LYS 29 N 0.27 0.32 0.00 2.33 1.63 -0.90 -1.20 116.57 119.01 2jpu h LYS 29 Ca 0.07 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2jpu h LYS 29 Cb 0.04 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2jpu h LYS 29 CO -0.01 0.80 -0.16 0.10 -3.45 0.00 0.00 179.45 176.73 2jpu h TYR 30 N -0.13 0.00 -0.45 1.91 -0.00 -1.17 -0.83 116.97 116.30 2jpu h TYR 30 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2jpu h TYR 30 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.51 2jpu h TYR 30 CO 0.11 0.16 0.19 -0.92 -0.00 0.00 0.00 178.16 177.70 2jpu h TYR 31 N 0.00 0.67 -0.14 0.10 3.20 -1.14 -1.19 116.97 118.47 2jpu h TYR 31 Ca -0.00 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 2jpu h TYR 31 Cb 0.92 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2jpu h TYR 31 CO 0.00 0.57 -0.54 0.87 -1.64 0.00 0.00 178.16 177.42 2jpu h LYS 32 N 0.58 0.42 -0.47 1.82 1.79 -0.92 -2.74 116.57 117.05 2jpu h LYS 32 Ca 0.15 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2jpu h LYS 32 Cb 0.17 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2jpu h LYS 32 CO -0.01 0.86 0.18 0.00 -1.08 0.00 0.00 179.45 179.39 2jpu h ALA 33 N 1.09 1.44 0.09 3.86 0.00 -0.95 -0.52 119.26 124.27 2jpu h ALA 33 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 33 Cb 1.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jpu h ALA 33 CO 0.09 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 2jpu h ALA 34 N 1.53 -0.13 -0.14 0.00 0.00 -1.01 -2.53 119.26 116.99 2jpu h ALA 34 Ca 0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jpu h ALA 34 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jpu h ALA 34 CO -0.01 -0.38 -0.28 1.05 0.00 0.00 0.00 179.25 179.63 2jpu h GLU 35 N -0.52 0.26 -0.19 0.00 4.11 -1.37 -2.21 114.58 114.66 2jpu h GLU 35 Ca -0.01 -0.09 0.04 0.00 0.07 0.00 0.00 59.36 59.36 2jpu h GLU 35 Cb 0.43 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2jpu h GLU 35 CO 0.02 0.52 -0.06 0.93 0.07 0.00 0.00 179.01 180.49 2jpu h GLU 36 N 0.23 -0.02 -0.35 1.06 4.39 -1.08 -2.37 114.58 116.43 2jpu h GLU 36 Ca 0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2jpu h GLU 36 Cb 0.62 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2jpu h GLU 36 CO 0.04 -0.02 0.11 0.00 -1.16 0.00 0.00 179.01 177.99 2jpu h ALA 37 N 1.16 1.54 -0.40 3.43 0.00 -0.98 -2.73 119.26 121.28 2jpu h ALA 37 Ca 0.10 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jpu h ALA 37 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2jpu h ALA 37 CO -0.21 0.35 0.10 0.82 0.00 0.00 0.00 179.25 180.31 2jpu h ILE 38 N 0.50 0.82 -0.19 0.00 1.08 -0.88 -1.18 117.51 117.65 2jpu h ILE 38 Ca 0.12 -0.08 -0.09 0.00 -0.39 0.00 0.00 64.86 64.42 2jpu h ILE 38 Cb 0.15 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2jpu h ILE 38 CO -0.01 0.04 -0.26 0.07 -0.69 0.00 0.00 178.15 177.30 2jpu h LYS 39 N 0.24 0.36 -0.49 2.37 2.10 -1.33 -1.14 116.57 118.67 2jpu h LYS 39 Ca 0.19 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2jpu h LYS 39 Cb 0.22 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 2jpu h LYS 39 CO -0.23 0.60 0.31 -0.07 -2.00 0.00 0.00 179.45 178.05 2jpu h LEU 40 N 0.32 0.58 -0.70 7.07 4.07 -1.28 -1.55 115.31 123.82 2jpu h LEU 40 Ca 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2jpu h LEU 40 Cb 0.64 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 2jpu h LEU 40 CO 0.05 0.45 0.40 -0.07 -1.08 0.00 0.00 178.44 178.19 2jpu h LEU 41 N 0.66 0.87 -0.34 1.67 4.07 -0.58 -1.37 115.31 120.28 2jpu h LEU 41 Ca 0.18 -0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.07 2jpu h LEU 41 Cb -0.03 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.46 2jpu h LEU 41 CO -0.04 0.70 0.18 0.58 -1.08 0.00 0.00 178.44 178.79 2jpu h VAL 42 N 0.96 1.01 0.10 1.22 2.07 -0.85 -1.61 116.25 119.16 2jpu h VAL 42 Ca 0.25 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2jpu h VAL 42 Cb 0.01 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2jpu h VAL 42 CO -0.04 0.07 -0.05 0.40 0.02 0.00 0.00 177.57 177.97 2jpu h ILE 43 N 0.37 1.12 0.00 4.57 1.08 -1.09 -0.73 117.51 122.83 2jpu h ILE 43 Ca 0.14 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.44 2jpu h ILE 43 Cb 0.03 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2jpu h ILE 43 CO -0.08 0.26 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.13 2jpu h GLU 44 N -0.69 0.00 -0.01 2.37 3.07 -1.27 -1.51 114.58 116.53 2jpu h GLU 44 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jpu h GLU 44 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2jpu h GLU 44 CO 0.02 0.18 -0.56 0.09 -1.40 0.00 0.00 179.01 177.35 2jpu n ASN 45 N -3.34 1.31 -2.63 1.42 3.02 -0.61 -4.88 115.26 109.55 2jpu n ASN 45 Ca 0.00 -1.06 -0.06 0.00 -0.03 0.00 0.00 54.58 53.44 2jpu n ASN 45 Cb 0.40 0.49 0.01 0.00 -0.61 0.00 0.00 39.78 40.07 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 -0.75 -6.90 -4.34 6.41 5.15 -0.57 -4.97 115.26 109.28 2jpu n ASN 46 Ca 0.08 0.39 -0.46 0.00 -0.60 0.00 0.00 54.58 53.99 2jpu n ASN 46 Cb 0.39 -4.62 -0.04 0.00 -0.53 0.00 0.00 39.78 34.98 2jpu n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jpu s LEU 47 N -2.47 6.12 0.19 1.20 1.43 -0.35 -4.91 118.68 119.88 2jpu s LEU 47 Ca 0.18 -2.06 -0.07 0.00 -1.03 0.00 0.00 54.13 51.15 2jpu s LEU 47 Cb -0.05 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 44.01 2jpu s LEU 47 CO 0.63 -0.83 1.59 0.50 0.23 0.00 0.00 176.35 178.47 2jpu h LYS 48 N 8.55 0.90 -0.57 1.70 1.63 -1.93 -1.47 116.57 125.39 2jpu h LYS 48 Ca -0.11 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2jpu h LYS 48 Cb 1.07 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 2jpu h LYS 48 CO 0.96 1.02 0.33 0.93 -3.45 0.00 0.00 179.45 179.23 2jpu h GLU 49 N 0.78 0.77 0.19 1.90 5.08 -2.00 -0.44 114.58 120.86 2jpu h GLU 49 Ca 0.11 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 2jpu h GLU 49 Cb 0.76 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.87 2jpu h GLU 49 CO 0.06 0.55 -1.28 0.82 -1.00 0.00 0.00 179.01 178.17 2jpu h ILE 50 N 0.78 1.28 -0.46 3.13 1.08 -1.93 -3.13 117.51 118.27 2jpu h ILE 50 Ca 0.20 -2.57 -0.06 0.00 -0.39 0.00 0.00 64.86 62.04 2jpu h ILE 50 Cb -0.01 3.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 2jpu h ILE 50 CO -0.04 0.77 0.04 0.71 -0.69 0.00 0.00 178.15 178.94 2jpu h THR 51 N -0.11 1.26 -0.91 -0.27 1.35 -1.05 0.84 112.91 114.02 2jpu h THR 51 Ca -0.24 -0.98 0.01 0.00 -0.55 0.00 0.00 66.41 64.66 2jpu h THR 51 Cb 1.92 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 69.28 2jpu h THR 51 CO 0.19 0.34 0.60 0.78 -0.25 0.00 0.00 175.52 177.18 2jpu h ASN 52 N 0.64 1.03 0.27 5.36 4.21 -1.22 -1.54 115.58 124.33 2jpu h ASN 52 Ca 0.13 -0.02 -0.26 0.00 1.21 0.00 0.00 56.30 57.36 2jpu h ASN 52 Cb 0.44 -0.25 0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2jpu h ASN 52 CO 0.02 0.74 -1.10 0.78 -1.29 0.00 0.00 177.43 176.58 2jpu h ASN 53 N 1.21 0.68 1.50 5.81 2.35 -1.39 -3.22 115.58 122.52 2jpu h ASN 53 Ca 0.34 -0.60 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 2jpu h ASN 53 Cb -0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2jpu h ASN 53 CO -0.08 1.41 -0.22 1.62 -1.65 0.00 0.00 177.43 178.51 2jpu h VAL 54 N 0.25 0.41 0.00 2.81 3.04 -0.71 -2.94 116.25 119.11 2jpu h VAL 54 Ca -0.13 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 2jpu h VAL 54 Cb 1.76 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 33.09 2jpu h VAL 54 CO 0.20 0.22 0.00 0.50 -1.01 0.00 0.00 177.57 177.47 2jpu h LYS 55 N 0.00 0.00 -0.57 4.17 3.64 -1.29 -1.07 116.57 121.46 2jpu h LYS 55 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2jpu h LYS 55 Cb 1.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2jpu h LYS 55 CO 0.03 0.00 0.26 -0.97 -2.27 0.00 0.00 179.45 176.50 2jpu h ASN 56 N 0.00 0.72 -0.86 4.20 -0.73 -1.63 -3.43 115.58 113.85 2jpu h ASN 56 Ca 0.00 -0.07 -0.50 0.00 1.87 0.00 0.00 56.30 57.59 2jpu h ASN 56 Cb 0.19 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.60 2jpu h ASN 56 CO 0.00 0.63 -0.18 -0.54 -0.37 0.00 0.00 177.43 176.96 2jpu s LYS 57 N -5.44 2.37 -0.22 6.67 -0.14 -0.40 -5.03 119.74 117.54 2jpu s LYS 57 Ca -0.10 -1.68 0.13 0.00 -1.36 0.00 0.00 55.97 52.96 2jpu s LYS 57 Cb 0.17 -2.51 0.46 0.00 -1.68 0.00 0.00 37.83 34.26 2jpu s LYS 57 CO 0.78 -0.69 1.35 0.41 -0.76 0.00 0.00 175.35 176.44 2jpu n GLY 58 N -2.04 4.77 3.37 -3.33 0.00 -1.26 -4.97 105.19 101.72 2jpu n GLY 58 Ca 0.10 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.09 0.71 -0.03 1.61 6.06 -1.26 -5.14 118.95 117.80 2jpu s ARG 59 Ca 0.41 0.29 -0.28 0.00 -2.50 0.00 0.00 55.73 53.65 2jpu s ARG 59 Cb 0.36 0.33 -0.03 0.00 0.06 0.00 0.00 34.95 35.68 2jpu s ARG 59 CO 0.01 -0.16 0.91 -1.58 -2.50 0.00 0.00 175.30 171.98 2jpu s TRP 60 N -0.60 3.62 -0.03 5.12 0.52 -1.26 -4.99 118.94 121.32 2jpu s TRP 60 Ca -0.07 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.51 2jpu s TRP 60 Cb -0.03 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.19 2jpu s TRP 60 CO 0.04 -0.02 0.30 0.21 0.02 0.00 0.00 176.95 177.50 2jpu s LYS 61 N 1.11 3.71 0.32 4.98 2.36 -1.26 -5.00 119.74 125.96 2jpu s LYS 61 Ca 0.48 0.15 0.01 0.00 -2.55 0.00 0.00 55.97 54.06 2jpu s LYS 61 Cb -0.20 -3.17 0.55 0.00 -1.05 0.00 0.00 37.83 33.96 2jpu s LYS 61 CO 0.24 0.70 1.97 0.66 1.55 0.00 0.00 175.35 180.47 2jpu h SER 62 N 4.60 0.84 0.45 1.43 4.64 -2.01 -1.24 113.55 122.26 2jpu h SER 62 Ca -0.52 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.72 2jpu h SER 62 Cb 1.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2jpu h SER 62 CO 0.61 0.59 -0.32 1.05 -0.87 0.00 0.00 176.83 177.90 2jpu h GLU 63 N 0.98 0.00 -0.11 4.77 4.11 -2.01 -2.39 114.58 119.94 2jpu h GLU 63 Ca 0.30 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.60 2jpu h GLU 63 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jpu h GLU 63 CO -0.08 0.32 -0.51 -0.97 0.07 0.00 0.00 179.01 177.84 2jpu h ASN 64 N 0.00 0.31 -0.63 3.06 -1.24 -1.64 -2.80 115.58 112.64 2jpu h ASN 64 Ca -0.00 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 56.78 2jpu h ASN 64 Cb 0.63 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 2jpu h ASN 64 CO 0.04 0.77 0.10 -0.07 -1.29 0.00 0.00 177.43 176.98 2jpu h LEU 65 N 0.23 1.02 -0.61 0.34 3.38 -1.21 -1.26 115.31 117.19 2jpu h LEU 65 Ca 0.01 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2jpu h LEU 65 Cb 0.97 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jpu h LEU 65 CO 0.08 1.01 0.00 0.15 0.09 0.00 0.00 178.44 179.77 2jpu h PHE 66 N 1.00 1.16 0.04 1.13 3.57 -1.40 -1.30 116.94 121.14 2jpu h PHE 66 Ca 0.20 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpu h PHE 66 Cb 0.43 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2jpu h PHE 66 CO 0.03 1.02 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.89 2jpu h LYS 67 N 0.97 -0.05 -0.61 1.11 3.64 -1.24 -1.86 116.57 118.53 2jpu h LYS 67 Ca 0.17 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2jpu h LYS 67 Cb 0.56 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 2jpu h LYS 67 CO 0.03 0.09 0.31 0.00 -2.27 0.00 0.00 179.45 177.61 2jpu h ALA 68 N 0.77 0.81 -0.17 5.00 0.00 -1.14 -1.75 119.26 122.78 2jpu h ALA 68 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jpu h ALA 68 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2jpu h ALA 68 CO 0.01 -0.04 -0.11 0.77 0.00 0.00 0.00 179.25 179.88 2jpu h SER 69 N 0.58 0.25 -0.16 0.00 0.02 -1.07 -1.43 113.55 111.75 2jpu h SER 69 Ca 0.28 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2jpu h SER 69 Cb 0.22 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2jpu h SER 69 CO -0.20 0.39 -0.00 0.50 -1.14 0.00 0.00 176.83 176.38 2jpu h LYS 70 N 0.26 0.28 -0.41 3.45 3.64 -0.51 -2.98 116.57 120.31 2jpu h LYS 70 Ca 0.05 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2jpu h LYS 70 Cb 0.36 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2jpu h LYS 70 CO 0.02 0.51 0.14 -0.07 -2.27 0.00 0.00 179.45 177.78 2jpu h LEU 71 N 0.03 0.53 0.00 5.20 3.38 -1.00 -2.19 115.31 121.26 2jpu h LEU 71 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jpu h LEU 71 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jpu h LEU 71 CO 0.01 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.22 2jpu n LEU 72 N -4.36 0.00 0.09 1.67 4.77 -0.57 -3.46 117.00 115.15 2jpu n LEU 72 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.04 2jpu n LEU 72 Cb 0.16 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 2jpu n LEU 72 CO 0.37 0.00 1.01 -0.09 -1.33 0.00 0.00 177.39 177.35 2jpu h ARG 73 N 0.00 0.32 0.00 3.23 1.12 -1.33 -0.38 114.38 117.34 2jpu h ARG 73 Ca 0.00 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 2jpu h ARG 73 Cb 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2jpu h ARG 73 CO 0.00 0.33 -0.21 1.03 -3.11 0.00 0.00 179.97 178.00 2jpu h SER 74 N 0.32 0.00 0.00 -3.80 0.87 -1.80 -2.27 113.55 106.87 2jpu h SER 74 Ca 0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2jpu h SER 74 Cb 0.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jpu h SER 74 CO 0.00 0.21 -0.10 -1.13 -0.53 0.00 0.00 176.83 175.29 2jpu h ASN 75 N 0.00 0.00 -2.80 6.23 -0.73 -1.47 -3.45 115.58 113.37 2jpu h ASN 75 Ca -0.00 -0.53 -0.35 0.00 1.87 0.00 0.00 56.30 57.29 2jpu h ASN 75 Cb 0.76 0.00 -0.37 0.00 0.27 0.00 0.00 38.32 38.98 2jpu h ASN 75 CO 0.03 0.82 -0.66 0.21 -0.37 0.00 0.00 177.43 177.46 2jpu s ASN 76 N -5.97 1.46 0.02 1.15 3.04 -0.28 -5.02 114.94 109.34 2jpu s ASN 76 Ca -0.12 -0.18 0.14 0.00 0.04 0.00 0.00 52.86 52.74 2jpu s ASN 76 Cb -0.01 0.20 0.59 0.00 -1.54 0.00 0.00 41.25 40.49 2jpu s ASN 76 CO 0.39 -0.31 1.44 1.07 -3.04 0.00 0.00 177.10 176.65 2jpu n THR 77 N 5.31 1.08 0.09 -5.21 5.66 -0.86 -1.72 114.28 118.63 2jpu n THR 77 Ca -0.06 0.27 -0.07 0.00 -3.05 0.00 0.00 64.05 61.15 2jpu n THR 77 Cb 0.49 -1.06 0.01 0.00 -1.55 0.00 0.00 70.33 68.23 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 0.12 -0.03 1.09 5.08 -1.92 -3.37 114.58 115.55 2jpu h GLU 78 Ca 0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2jpu h GLU 78 Cb 0.23 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2jpu h GLU 78 CO 0.00 0.88 -0.42 0.82 -1.00 0.00 0.00 179.01 179.29 2jpu h ILE 79 N 0.07 0.15 -0.37 3.13 2.04 -1.66 0.24 117.51 121.11 2jpu h ILE 79 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2jpu h ILE 79 Cb 1.45 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2jpu h ILE 79 CO 0.12 0.00 0.25 1.55 0.00 0.00 0.00 178.15 180.07 2jpu h PRO 80 N -0.56 0.27 0.02 2.37 0.13 -1.73 0.15 132.00 132.65 2jpu h PRO 80 Ca 0.05 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.96 2jpu h PRO 80 Cb 0.65 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.74 2jpu h PRO 80 CO -0.33 0.18 -0.82 0.82 -0.23 0.00 0.00 178.00 177.62 2jpu h ILE 81 N 0.27 1.37 -0.54 -3.56 2.04 -1.48 -1.59 117.51 114.03 2jpu h ILE 81 Ca 0.16 -2.19 -0.08 0.00 1.00 0.00 0.00 64.86 63.75 2jpu h ILE 81 Cb 0.29 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2jpu h ILE 81 CO -0.03 0.65 0.02 -0.07 0.00 0.00 0.00 178.15 178.72 2jpu h LEU 82 N 0.08 0.92 -0.83 1.44 3.38 0.11 -1.97 115.31 118.43 2jpu h LEU 82 Ca -0.11 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 2jpu h LEU 82 Cb 1.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2jpu h LEU 82 CO 0.16 0.99 -0.18 -0.25 0.09 0.00 0.00 178.44 179.25 2jpu h TRP 83 N 0.82 0.75 -0.41 1.13 2.91 -0.79 -2.69 115.95 117.66 2jpu h TRP 83 Ca 0.15 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2jpu h TRP 83 Cb 0.51 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 2jpu h TRP 83 CO 0.04 0.81 0.21 -0.22 -1.03 0.00 0.00 178.44 178.24 2jpu h LYS 84 N 0.60 0.57 -0.12 2.65 3.64 -0.88 0.12 116.57 123.15 2jpu h LYS 84 Ca 0.09 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2jpu h LYS 84 Cb 0.64 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2jpu h LYS 84 CO 0.05 0.43 -0.11 0.77 -2.27 0.00 0.00 179.45 178.31 2jpu h SER 85 N 0.57 -0.36 -0.37 4.20 0.02 -1.02 0.35 113.55 116.94 2jpu h SER 85 Ca 0.15 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 2jpu h SER 85 Cb 0.05 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2jpu h SER 85 CO -0.02 -0.15 -0.13 0.00 -1.14 0.00 0.00 176.83 175.38 2jpu h ALA 86 N 0.94 0.93 -0.55 3.77 0.00 -1.29 -2.48 119.26 120.57 2jpu h ALA 86 Ca 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2jpu h ALA 86 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jpu h ALA 86 CO -0.20 0.62 0.20 2.35 0.00 0.00 0.00 179.25 182.22 2jpu h TRP 87 N 0.74 0.82 -0.66 0.00 2.91 -0.38 -1.79 115.95 117.59 2jpu h TRP 87 Ca 0.12 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2jpu h TRP 87 Cb 0.63 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 2jpu h TRP 87 CO 0.03 0.65 0.43 1.15 -1.03 0.00 0.00 178.44 179.68 2jpu h THR 88 N 0.80 1.17 -0.89 2.65 2.02 0.14 -0.28 112.91 118.52 2jpu h THR 88 Ca 0.19 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2jpu h THR 88 Cb 0.20 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2jpu h THR 88 CO -0.01 0.17 0.47 -0.07 0.37 0.00 0.00 175.52 176.44 2jpu h LEU 89 N 0.89 1.13 -0.31 2.58 3.38 -1.15 -0.02 115.31 121.80 2jpu h LEU 89 Ca 0.24 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jpu h LEU 89 Cb -0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 2jpu h LEU 89 CO -0.05 0.92 0.19 -0.74 0.09 0.00 0.00 178.44 178.85 2jpu h HIS 90 N 1.25 0.36 0.02 1.13 2.76 -0.52 0.68 115.15 120.83 2jpu h HIS 90 Ca 0.31 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2jpu h HIS 90 Cb 0.05 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2jpu h HIS 90 CO 0.01 0.22 -0.01 0.28 -1.30 0.00 0.00 177.93 177.13 2jpu h VAL 91 N 0.39 1.44 -0.08 5.26 2.07 -0.74 -3.27 116.25 121.33 2jpu h VAL 91 Ca 0.12 -1.56 -0.24 0.00 0.82 0.00 0.00 66.70 65.84 2jpu h VAL 91 Cb -0.02 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2jpu h VAL 91 CO -0.04 0.39 -0.89 -0.33 0.02 0.00 0.00 177.57 176.72 2jpu h GLU 92 N -0.72 0.72 -1.44 1.57 5.08 -1.06 -3.24 114.58 115.49 2jpu h GLU 92 Ca -0.00 -0.66 -0.41 0.00 -1.00 0.00 0.00 59.36 57.29 2jpu h GLU 92 Cb 0.67 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 29.91 2jpu h GLU 92 CO 0.00 1.26 0.51 0.41 -1.00 0.00 0.00 179.01 180.20 2jpu n GLY 93 N 0.85 4.49 0.07 -3.84 0.00 0.23 -4.36 105.19 102.63 2jpu n GLY 93 Ca -0.09 -1.39 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 2jpu n GLY 93 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2jpu h PHE 94 N 1.66 0.00 0.00 1.61 -0.00 -1.60 -3.42 116.94 115.19 2jpu h PHE 94 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.33 2jpu h PHE 94 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.83 2jpu h PHE 94 CO 0.97 0.93 -0.57 1.58 -0.00 0.00 0.00 178.31 181.21 2jpu n HIS 95 N -3.26 0.24 -4.01 6.09 -0.00 -1.26 -4.92 115.22 108.10 2jpu n HIS 95 Ca -0.03 0.10 -0.35 0.00 -0.00 0.00 0.00 57.72 57.44 2jpu n HIS 95 Cb 0.94 -0.44 -0.13 0.00 -0.00 0.00 0.00 29.99 30.35 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2jpu s GLU 96 N -2.16 3.57 -1.14 1.57 -1.05 -1.26 -5.03 118.70 113.20 2jpu s GLU 96 Ca -0.17 -0.54 -0.16 0.00 -0.15 0.00 0.00 54.97 53.96 2jpu s GLU 96 Cb 0.02 -3.09 0.15 0.00 -0.44 0.00 0.00 34.13 30.77 2jpu s GLU 96 CO 0.25 -0.05 1.38 -0.51 0.95 0.00 0.00 175.26 177.27 2jpu s LEU 97 N 1.16 4.92 -0.48 1.83 2.01 -1.26 -4.77 118.68 122.10 2jpu s LEU 97 Ca 0.03 -2.68 0.06 0.00 0.01 0.00 0.00 54.13 51.55 2jpu s LEU 97 Cb -0.14 -2.42 0.19 0.00 0.01 0.00 0.00 46.19 43.82 2jpu s LEU 97 CO 0.01 -0.87 0.60 -1.54 1.01 0.00 0.00 176.35 175.56 2jpu n SER 98 N 6.15 -2.37 -2.63 2.29 3.41 -1.26 -4.86 113.62 114.35 2jpu n SER 98 Ca 0.34 -2.74 -0.07 0.00 -0.26 0.00 0.00 58.87 56.14 2jpu n SER 98 Cb 0.45 0.93 0.05 0.00 -0.26 0.00 0.00 64.21 65.37 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jpu n LEU 99 N 2.83 0.00 -4.18 1.04 4.77 -1.26 -5.10 117.00 115.10 2jpu n LEU 99 Ca 0.22 -0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 2jpu n LEU 99 Cb 0.53 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2jpu n LEU 99 CO 0.02 -0.70 -0.39 0.54 -1.33 0.00 0.00 177.39 175.52 2jpu s ASN 100 N -2.27 1.24 0.28 -1.43 2.20 -1.26 -4.90 114.94 108.80 2jpu s ASN 100 Ca 0.20 -0.97 -0.04 0.00 -0.94 0.00 0.00 52.86 51.11 2jpu s ASN 100 Cb -0.01 0.07 0.36 0.00 -2.00 0.00 0.00 41.25 39.67 2jpu s ASN 100 CO 0.14 -0.42 1.95 -0.08 -2.94 0.00 0.00 177.10 175.75 2jpu h GLU 101 N 3.06 1.20 -0.96 3.55 4.81 -1.99 -0.54 114.58 123.70 2jpu h GLU 101 Ca -0.36 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 58.93 2jpu h GLU 101 Cb 1.17 -0.27 -0.09 0.00 0.63 0.00 0.00 28.75 30.20 2jpu h GLU 101 CO 0.62 0.79 0.59 -0.22 -0.73 0.00 0.00 179.01 180.07 2jpu h LYS 102 N 1.23 0.88 0.00 1.92 3.64 -2.00 0.14 116.57 122.38 2jpu h LYS 102 Ca 0.33 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2jpu h LYS 102 Cb -0.14 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.48 2jpu h LYS 102 CO -0.07 0.58 -0.00 1.49 -2.27 0.00 0.00 179.45 179.18 2jpu h GLU 103 N 0.91 -0.00 -0.76 1.90 4.22 -1.83 -3.33 114.58 115.68 2jpu h GLU 103 Ca 0.49 0.00 0.13 0.00 0.08 0.00 0.00 59.36 60.05 2jpu h GLU 103 Cb 0.53 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 2jpu h GLU 103 CO -0.28 0.89 0.35 0.28 -2.18 0.00 0.00 179.01 178.06 2jpu h VAL 104 N -0.91 0.74 -0.36 0.32 2.07 -0.52 0.67 116.25 118.26 2jpu h VAL 104 Ca -0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2jpu h VAL 104 Cb 0.89 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2jpu h VAL 104 CO 0.00 0.10 0.05 0.11 0.02 0.00 0.00 177.57 177.85 2jpu h LYS 105 N 0.54 0.54 0.04 1.57 1.79 -0.90 -0.20 116.57 119.94 2jpu h LYS 105 Ca 0.41 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2jpu h LYS 105 Cb 0.55 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2jpu h LYS 105 CO -0.35 0.53 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.31 2jpu h LYS 106 N 0.53 -0.05 -0.47 3.15 3.11 -1.26 -3.35 116.57 118.23 2jpu h LYS 106 Ca 0.12 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.00 2jpu h LYS 106 Cb 0.26 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 2jpu h LYS 106 CO 0.00 0.59 0.31 -0.07 -2.81 0.00 0.00 179.45 177.48 2jpu h LEU 107 N -0.89 0.42 -2.04 5.20 -0.00 -0.78 -0.66 115.31 116.57 2jpu h LEU 107 Ca -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2jpu h LEU 107 Cb 0.67 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2jpu h LEU 107 CO 0.01 0.29 -0.08 0.07 -0.00 0.00 0.00 178.44 178.73 2jpu h LYS 108 N 0.49 0.00 0.06 1.13 2.10 -1.16 -0.34 116.57 118.85 2jpu h LYS 108 Ca 0.19 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.59 2jpu h LYS 108 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2jpu h LYS 108 CO -0.05 0.08 -1.24 0.93 -2.00 0.00 0.00 179.45 177.17 2jpu h GLU 109 N 0.00 0.12 -0.05 0.07 5.08 -1.25 -0.69 114.58 117.86 2jpu h GLU 109 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2jpu h GLU 109 Cb 0.30 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jpu h GLU 109 CO 0.01 1.03 0.03 -0.44 -1.00 0.00 0.00 179.01 178.63 2jpu h ASP 110 N 0.03 0.04 -0.29 1.42 5.19 -1.03 -1.02 116.42 120.77 2jpu h ASP 110 Ca -0.12 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.20 2jpu h ASP 110 Cb 1.90 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 2jpu h ASP 110 CO 0.15 0.03 -0.13 0.58 -3.12 0.00 0.00 179.24 176.75 2jpu h VAL 111 N 0.06 1.26 -0.94 -1.35 2.07 -1.17 -2.75 116.25 113.42 2jpu h VAL 111 Ca 0.02 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.43 2jpu h VAL 111 Cb -0.00 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2jpu h VAL 111 CO -0.01 0.40 0.60 -0.09 0.02 0.00 0.00 177.57 178.48 2jpu h ARG 112 N 0.65 1.05 -0.16 1.57 2.43 -0.81 0.10 114.38 119.21 2jpu h ARG 112 Ca 0.11 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2jpu h ARG 112 Cb 0.60 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2jpu h ARG 112 CO 0.04 0.69 -0.07 0.87 -1.51 0.00 0.00 179.97 179.99 2jpu h LYS 113 N 1.08 -0.05 -0.45 0.20 1.79 -0.89 -1.95 116.57 116.30 2jpu h LYS 113 Ca 0.41 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 2jpu h LYS 113 Cb 0.19 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2jpu h LYS 113 CO -0.18 -0.03 0.18 -0.07 -1.08 0.00 0.00 179.45 178.27 2jpu h LEU 114 N -0.05 0.62 0.15 2.94 4.07 -1.12 -2.41 115.31 119.52 2jpu h LEU 114 Ca 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2jpu h LEU 114 Cb 0.18 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2jpu h LEU 114 CO -0.19 0.62 -0.07 0.58 -1.08 0.00 0.00 178.44 178.29 2jpu h VAL 115 N 0.59 0.91 -0.35 1.22 2.07 -0.69 -0.02 116.25 119.98 2jpu h VAL 115 Ca 0.15 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2jpu h VAL 115 Cb 0.19 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2jpu h VAL 115 CO -0.01 0.06 0.23 0.40 0.02 0.00 0.00 177.57 178.27 2jpu h ILE 116 N -0.32 1.01 -0.05 4.57 2.04 -1.36 -1.52 117.51 121.88 2jpu h ILE 116 Ca -0.02 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 2jpu h ILE 116 Cb 0.25 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jpu h ILE 116 CO 0.03 0.06 -0.54 0.15 0.00 0.00 0.00 178.15 177.86 2jpu h PHE 117 N 0.35 0.63 -0.32 1.37 3.57 -0.91 -1.13 116.94 120.50 2jpu h PHE 117 Ca 0.14 -0.31 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 2jpu h PHE 117 Cb 0.14 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2jpu h PHE 117 CO -0.00 1.11 0.09 0.00 -2.23 0.00 0.00 178.31 177.28 2jpu h ALA 118 N 0.39 0.42 -0.64 2.41 0.00 -0.62 0.15 119.26 121.37 2jpu h ALA 118 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2jpu h ALA 118 Cb 1.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2jpu h ALA 118 CO 0.11 0.07 0.24 0.28 0.00 0.00 0.00 179.25 179.95 2jpu h VAL 119 N 0.36 1.24 -0.53 0.00 2.07 -1.34 -1.73 116.25 116.32 2jpu h VAL 119 Ca 0.10 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2jpu h VAL 119 Cb 0.26 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2jpu h VAL 119 CO -0.00 0.30 0.32 -1.13 0.02 0.00 0.00 177.57 177.08 2jpu h ASN 120 N 0.91 0.63 -0.49 0.57 -0.73 -0.95 -2.15 115.58 113.36 2jpu h ASN 120 Ca 0.21 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 2jpu h ASN 120 Cb 0.23 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2jpu h ASN 120 CO -0.01 0.48 0.25 0.28 -0.37 0.00 0.00 177.43 178.05 2jpu h SER 121 N 0.73 0.63 1.38 1.15 0.02 0.17 -2.39 113.55 115.24 2jpu h SER 121 Ca 0.19 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jpu h SER 121 Cb -0.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2jpu h SER 121 CO -0.04 0.57 0.00 -0.07 -1.14 0.00 0.00 176.83 176.15 2jpu h LEU 122 N 0.65 0.00 0.00 5.07 4.07 -0.99 -2.51 115.31 121.59 2jpu h LEU 122 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2jpu h LEU 122 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2jpu h LEU 122 CO -0.02 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.72 2jpu n GLU 123 N -2.96 0.16 -2.90 1.13 -0.58 -0.85 -4.72 120.64 109.93 2jpu n GLU 123 Ca 0.02 0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.48 2jpu n GLU 123 Cb 0.39 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.72 2jpu n GLU 123 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2jpu s HIS 124 N -2.75 3.64 -0.01 -0.32 3.76 -0.95 -4.94 115.29 113.72 2jpu s HIS 124 Ca 0.15 1.48 0.32 0.00 -0.15 0.00 0.00 55.06 56.85 2jpu s HIS 124 Cb 0.13 -2.94 1.35 0.00 1.11 0.00 0.00 32.58 32.23 2jpu s HIS 124 CO 0.32 0.09 1.94 1.12 -0.85 0.00 0.00 174.74 177.36 2jpu h HIS 125 N 6.55 0.00 0.00 1.40 2.07 -1.89 -3.43 115.15 119.85 2jpu h HIS 125 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2jpu h HIS 125 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2jpu h HIS 125 CO 0.66 0.00 0.00 1.58 -3.07 0.00 0.00 177.93 177.10 2jpu n HIS 126 N -2.86 -0.62 -3.58 6.12 -0.00 -1.26 -5.13 115.22 107.89 2jpu n HIS 126 Ca 0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.18 2jpu n HIS 126 Cb 0.26 0.23 -0.04 0.00 -0.12 0.00 0.00 29.99 30.32 2jpu n HIS 126 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jpu s HIS 127 N -0.45 -1.14 -0.23 1.57 2.46 -1.26 -5.01 115.29 111.23 2jpu s HIS 127 Ca 0.00 1.99 -0.11 0.00 0.47 0.00 0.00 55.06 57.41 2jpu s HIS 127 Cb 0.00 0.68 0.08 0.00 -0.13 0.00 0.00 32.58 33.21 2jpu s HIS 127 CO 0.00 -0.56 0.54 -1.58 -2.47 0.00 0.00 174.74 170.67 2jpu s HIS 128 N 2.68 -0.90 -2.81 3.88 5.04 -1.26 -5.15 115.29 116.77 2jpu s HIS 128 Ca -0.05 1.77 0.22 0.00 -1.54 0.00 0.00 55.06 55.46 2jpu s HIS 128 Cb -0.10 0.48 0.18 0.00 0.04 0.00 0.00 32.58 33.18 2jpu s HIS 128 CO -0.19 -0.47 1.21 1.58 -2.34 0.00 0.00 174.74 174.53