#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu h SER 2 N 0.00 -0.00 -2.32 6.12 0.02 -2.08 -3.46 113.55 111.83 2jpu h SER 2 Ca 0.00 -0.38 -0.50 0.00 -0.84 0.00 0.00 61.79 60.07 2jpu h SER 2 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2jpu h SER 2 CO 0.00 0.69 -0.49 0.27 -1.14 0.00 0.00 176.83 176.16 2jpu s ILE 3 N -1.81 4.86 -0.60 3.27 -4.36 -1.26 -5.07 121.20 116.23 2jpu s ILE 3 Ca -0.07 -1.11 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 2jpu s ILE 3 Cb -0.01 -3.59 0.22 0.00 1.25 0.00 0.00 42.46 40.33 2jpu s ILE 3 CO 0.26 -0.27 0.60 -1.20 0.24 0.00 0.00 174.94 174.57 2jpu n SER 4 N -1.04 2.55 -0.77 4.36 7.64 -1.26 -5.04 113.62 120.06 2jpu n SER 4 Ca -0.08 -3.15 0.10 0.00 1.01 0.00 0.00 58.87 56.75 2jpu n SER 4 Cb 0.57 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2jpu n SER 4 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jpu n THR 5 N 1.45 0.00 -0.22 0.44 -1.04 -1.26 -2.68 114.28 110.96 2jpu n THR 5 Ca 0.26 0.10 0.29 0.00 -2.04 0.00 0.00 64.05 62.66 2jpu n THR 5 Cb 0.42 -0.36 0.71 0.00 -1.82 0.00 0.00 70.33 69.28 2jpu n THR 5 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jpu h SER 6 N -0.72 0.05 0.35 8.00 0.02 -1.96 -2.42 113.55 116.87 2jpu h SER 6 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jpu h SER 6 Cb 0.71 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2jpu h SER 6 CO 0.01 0.01 -0.29 0.00 -1.14 0.00 0.00 176.83 175.43 2jpu h ALA 7 N 1.52 -0.64 0.01 3.77 0.00 -1.77 0.34 119.26 122.49 2jpu h ALA 7 Ca 0.47 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2jpu h ALA 7 Cb 1.80 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 2jpu h ALA 7 CO -0.03 -0.89 -0.94 0.93 0.00 0.00 0.00 179.25 178.32 2jpu h GLU 8 N -0.64 0.29 -0.13 0.00 5.08 -1.27 -2.75 114.58 115.15 2jpu h GLU 8 Ca -0.03 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2jpu h GLU 8 Cb 0.57 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jpu h GLU 8 CO -0.02 1.04 0.08 0.28 -1.00 0.00 0.00 179.01 179.39 2jpu h VAL 9 N 0.15 1.07 -0.60 3.13 2.07 -1.24 0.22 116.25 121.05 2jpu h VAL 9 Ca -0.07 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2jpu h VAL 9 Cb 1.58 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2jpu h VAL 9 CO 0.15 0.06 0.17 1.88 0.02 0.00 0.00 177.57 179.86 2jpu h TYR 10 N 0.15 0.94 -0.64 1.57 0.05 -0.40 -1.17 116.97 117.47 2jpu h TYR 10 Ca 0.05 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2jpu h TYR 10 Cb 0.03 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 2jpu h TYR 10 CO -0.05 0.76 0.18 -0.92 -1.05 0.00 0.00 178.16 177.08 2jpu h TYR 11 N 0.89 1.06 -0.50 4.88 3.20 -1.15 -0.39 116.97 124.95 2jpu h TYR 11 Ca 0.20 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2jpu h TYR 11 Cb 0.28 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2jpu h TYR 11 CO 0.02 0.87 0.30 0.93 -1.64 0.00 0.00 178.16 178.64 2jpu h GLU 12 N 0.94 0.59 -0.06 1.82 4.39 -0.00 0.15 114.58 122.40 2jpu h GLU 12 Ca 0.20 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2jpu h GLU 12 Cb 0.33 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2jpu h GLU 12 CO -0.00 0.39 -0.39 0.93 -1.16 0.00 0.00 179.01 178.78 2jpu h GLU 13 N 0.61 0.13 -0.31 2.33 5.08 -0.99 0.99 114.58 122.43 2jpu h GLU 13 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2jpu h GLU 13 Cb -0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jpu h GLU 13 CO -0.08 0.51 0.11 0.00 -1.00 0.00 0.00 179.01 178.55 2jpu h ALA 14 N 1.49 0.40 -0.60 3.43 0.00 -0.30 -1.24 119.26 122.45 2jpu h ALA 14 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 14 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jpu h ALA 14 CO 0.06 0.02 0.38 0.93 0.00 0.00 0.00 179.25 180.63 2jpu h GLU 15 N 0.34 0.79 0.11 0.00 4.39 -0.26 -0.25 114.58 119.70 2jpu h GLU 15 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jpu h GLU 15 Cb 0.22 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2jpu h GLU 15 CO -0.01 0.54 -0.05 0.93 -1.16 0.00 0.00 179.01 179.26 2jpu h GLU 16 N 0.81 -0.14 -0.27 2.33 4.39 -0.35 -1.11 114.58 120.25 2jpu h GLU 16 Ca 0.22 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 2jpu h GLU 16 Cb -0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jpu h GLU 16 CO -0.04 -0.01 -0.22 0.74 -1.16 0.00 0.00 179.01 178.31 2jpu h PHE 17 N -0.24 0.55 -0.65 4.33 0.04 -0.99 -2.26 116.94 117.73 2jpu h PHE 17 Ca -0.01 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2jpu h PHE 17 Cb 0.19 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 2jpu h PHE 17 CO -0.04 0.68 0.43 1.25 -0.60 0.00 0.00 178.31 180.03 2jpu h LEU 18 N 0.44 0.75 -0.91 1.54 5.85 -0.83 -0.59 115.31 121.56 2jpu h LEU 18 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jpu h LEU 18 Cb 0.63 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jpu h LEU 18 CO 0.04 0.54 0.00 0.28 -0.34 0.00 0.00 178.44 178.97 2jpu h SER 19 N 0.88 0.00 0.43 1.25 0.02 -0.59 -2.04 113.55 113.50 2jpu h SER 19 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2jpu h SER 19 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jpu h SER 19 CO -0.05 0.00 -0.59 1.17 -1.14 0.00 0.00 176.83 176.22 2jpu n LYS 20 N -2.57 0.01 -0.10 3.45 3.00 -0.26 -4.94 118.16 116.75 2jpu n LYS 20 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2jpu n LYS 20 Cb 0.28 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.80 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 1.49 0.84 3.40 3.14 0.00 -0.77 -5.06 105.19 108.25 2jpu n GLY 21 Ca 0.05 0.00 -0.38 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 -2.26 5.39 0.26 1.61 -1.08 -1.04 -4.94 116.67 114.61 2jpu s ASP 22 Ca 0.00 -0.60 0.21 0.00 -0.52 0.00 0.00 52.55 51.64 2jpu s ASP 22 Cb 0.00 -1.96 0.08 0.00 -1.46 0.00 0.00 42.92 39.58 2jpu s ASP 22 CO 0.00 -0.20 1.23 -0.07 0.52 0.00 0.00 175.17 176.65 2jpu h LEU 23 N 8.31 0.00 0.02 -1.34 3.38 -1.92 -3.33 115.31 120.43 2jpu h LEU 23 Ca -0.32 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2jpu h LEU 23 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2jpu h LEU 23 CO 0.61 0.17 -0.19 0.58 0.09 0.00 0.00 178.44 179.71 2jpu h VAL 24 N 0.00 1.64 0.00 1.22 2.07 -1.92 -3.18 116.25 116.08 2jpu h VAL 24 Ca -0.03 -2.11 -0.08 0.00 0.82 0.00 0.00 66.70 65.30 2jpu h VAL 24 Cb 1.16 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.95 2jpu h VAL 24 CO 0.02 0.57 -0.37 1.56 0.02 0.00 0.00 177.57 179.36 2jpu h GLN 25 N -0.70 0.00 -0.24 1.57 4.20 -1.97 -2.46 115.11 115.52 2jpu h GLN 25 Ca -0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2jpu h GLN 25 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2jpu h GLN 25 CO 0.04 0.37 -0.08 0.00 -0.67 0.00 0.00 178.83 178.49 2jpu h ALA 26 N 1.63 1.43 -0.19 3.87 0.00 -1.68 -3.11 119.26 121.21 2jpu h ALA 26 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jpu h ALA 26 Cb 0.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jpu h ALA 26 CO 0.05 0.40 0.01 0.00 0.00 0.00 0.00 179.25 179.71 2jpu h GLU 28 N 0.08 0.50 0.33 0.00 4.57 -1.65 -0.17 114.58 118.24 2jpu h GLU 28 Ca 0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2jpu h GLU 28 Cb 0.11 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2jpu h GLU 28 CO -0.14 0.34 -0.16 0.87 -1.18 0.00 0.00 179.01 178.74 2jpu h LYS 29 N 0.51 -0.43 0.00 1.92 1.79 -1.45 -2.79 116.57 116.13 2jpu h LYS 29 Ca 0.14 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2jpu h LYS 29 Cb -0.05 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2jpu h LYS 29 CO -0.03 -0.10 0.00 2.48 -1.08 0.00 0.00 179.45 180.72 2jpu n TYR 30 N -5.11 0.43 -0.05 -1.35 0.18 -0.96 -2.00 117.16 108.30 2jpu n TYR 30 Ca -0.09 0.14 -0.12 0.00 1.88 0.00 0.00 57.90 59.71 2jpu n TYR 30 Cb 0.27 -0.73 -0.06 0.00 -0.38 0.00 0.00 39.34 38.44 2jpu n TYR 30 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2jpu h TYR 31 N 0.00 0.35 0.00 -3.48 3.20 -1.02 -2.75 116.97 113.27 2jpu h TYR 31 Ca 0.00 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 2jpu h TYR 31 Cb 0.49 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2jpu h TYR 31 CO 0.00 0.59 -0.34 0.87 -1.64 0.00 0.00 178.16 177.64 2jpu h LYS 32 N 0.01 0.00 -0.65 1.82 1.57 -1.17 -2.10 116.57 116.04 2jpu h LYS 32 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jpu h LYS 32 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2jpu h LYS 32 CO 0.02 0.34 0.41 0.00 -0.57 0.00 0.00 179.45 179.65 2jpu h ALA 33 N 1.66 1.51 -0.02 3.86 0.00 -1.29 -1.95 119.26 123.02 2jpu h ALA 33 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jpu h ALA 33 Cb 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jpu h ALA 33 CO 0.04 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.68 2jpu h ALA 34 N 1.57 0.04 -0.79 0.00 0.00 -1.09 -2.36 119.26 116.64 2jpu h ALA 34 Ca 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 34 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jpu h ALA 34 CO -0.05 -0.12 0.33 1.05 0.00 0.00 0.00 179.25 180.47 2jpu h GLU 35 N -0.49 1.16 -0.64 0.00 4.11 -1.40 0.57 114.58 117.89 2jpu h GLU 35 Ca -0.00 -0.20 -0.03 0.00 0.07 0.00 0.00 59.36 59.20 2jpu h GLU 35 Cb 0.66 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2jpu h GLU 35 CO 0.01 0.93 0.28 0.93 0.07 0.00 0.00 179.01 181.23 2jpu h GLU 36 N 1.14 0.94 -0.71 1.06 4.39 -1.42 -2.23 114.58 117.75 2jpu h GLU 36 Ca 0.27 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2jpu h GLU 36 Cb 0.19 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2jpu h GLU 36 CO -0.02 0.78 0.18 0.00 -1.16 0.00 0.00 179.01 178.78 2jpu h ALA 37 N 1.12 0.94 -0.69 3.43 0.00 -0.79 -2.09 119.26 121.17 2jpu h ALA 37 Ca 0.22 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2jpu h ALA 37 Cb 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2jpu h ALA 37 CO -0.02 0.65 0.32 0.82 0.00 0.00 0.00 179.25 181.02 2jpu h ILE 38 N 1.07 0.82 -0.46 0.00 1.08 -0.65 0.10 117.51 119.46 2jpu h ILE 38 Ca 0.22 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 2jpu h ILE 38 Cb 0.36 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 2jpu h ILE 38 CO 0.00 0.10 0.20 0.50 -0.69 0.00 0.00 178.15 178.26 2jpu h LYS 39 N 0.55 0.39 -0.38 2.37 3.64 -0.83 -1.22 116.57 121.09 2jpu h LYS 39 Ca 0.35 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2jpu h LYS 39 Cb 0.39 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2jpu h LYS 39 CO -0.29 0.26 0.20 -0.07 -2.27 0.00 0.00 179.45 177.28 2jpu h LEU 40 N 0.41 0.30 -0.81 5.20 4.07 -0.60 -2.10 115.31 121.77 2jpu h LEU 40 Ca 0.21 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.21 2jpu h LEU 40 Cb 0.16 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 2jpu h LEU 40 CO -0.17 0.22 0.53 -0.07 -1.08 0.00 0.00 178.44 177.86 2jpu h LEU 41 N 0.41 0.89 -0.44 1.67 4.07 -0.48 -0.45 115.31 120.98 2jpu h LEU 41 Ca 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 2jpu h LEU 41 Cb 0.05 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2jpu h LEU 41 CO -0.10 0.63 0.17 0.58 -1.08 0.00 0.00 178.44 178.64 2jpu h VAL 42 N 1.05 1.20 -0.65 1.22 2.07 -0.94 -1.22 116.25 118.98 2jpu h VAL 42 Ca 0.31 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2jpu h VAL 42 Cb -0.05 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2jpu h VAL 42 CO -0.09 0.23 0.22 0.40 0.02 0.00 0.00 177.57 178.35 2jpu h ILE 43 N 0.56 1.25 0.00 4.57 1.08 -0.99 0.20 117.51 124.18 2jpu h ILE 43 Ca 0.15 -0.83 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 2jpu h ILE 43 Cb 0.20 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2jpu h ILE 43 CO -0.01 0.32 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.20 2jpu h GLU 44 N 0.94 0.00 -0.01 2.37 4.39 -0.86 -1.19 114.58 120.22 2jpu h GLU 44 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2jpu h GLU 44 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jpu h GLU 44 CO -0.01 0.24 -0.45 0.09 -1.16 0.00 0.00 179.01 177.72 2jpu n ASN 45 N -3.47 0.96 -3.76 1.42 3.02 -0.48 -4.97 115.26 107.98 2jpu n ASN 45 Ca -0.00 -0.76 -0.23 0.00 -0.03 0.00 0.00 54.58 53.56 2jpu n ASN 45 Cb 0.41 0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.96 -1.65 -4.56 6.41 5.15 -0.02 -4.85 115.26 114.78 2jpu n ASN 46 Ca 0.09 -0.83 -0.34 0.00 -0.60 0.00 0.00 54.58 52.89 2jpu n ASN 46 Cb 0.36 -3.92 -0.04 0.00 -0.53 0.00 0.00 39.78 35.65 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 -6.80 3.35 0.47 1.20 1.43 -0.70 -4.78 118.68 112.84 2jpu s LEU 47 Ca 0.11 -1.18 0.19 0.00 -1.03 0.00 0.00 54.13 52.22 2jpu s LEU 47 Cb -0.06 -2.57 1.13 0.00 0.03 0.00 0.00 46.19 44.73 2jpu s LEU 47 CO 0.82 -2.09 2.00 0.50 0.23 0.00 0.00 176.35 177.81 2jpu h LYS 48 N 10.33 0.00 0.07 1.70 3.64 -1.89 -0.90 116.57 129.52 2jpu h LYS 48 Ca 0.17 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2jpu h LYS 48 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2jpu h LYS 48 CO 1.33 0.18 -0.04 1.49 -2.27 0.00 0.00 179.45 180.14 2jpu h GLU 49 N 0.00 -0.10 -0.49 1.90 4.22 -1.99 -1.64 114.58 116.49 2jpu h GLU 49 Ca -0.00 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 2jpu h GLU 49 Cb 0.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jpu h GLU 49 CO 0.02 0.13 -0.10 0.82 -2.18 0.00 0.00 179.01 177.70 2jpu h ILE 50 N -0.31 1.27 -0.22 2.32 1.08 -1.77 -2.63 117.51 117.25 2jpu h ILE 50 Ca -0.01 -1.23 -0.07 0.00 -0.39 0.00 0.00 64.86 63.15 2jpu h ILE 50 Cb 0.27 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2jpu h ILE 50 CO 0.02 0.43 -0.18 0.71 -0.69 0.00 0.00 178.15 178.44 2jpu h THR 51 N 0.79 1.23 0.00 -0.27 1.35 -1.21 -1.25 112.91 113.54 2jpu h THR 51 Ca 0.13 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.92 2jpu h THR 51 Cb 0.66 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2jpu h THR 51 CO 0.05 0.33 -0.11 0.78 -0.25 0.00 0.00 175.52 176.31 2jpu h ASN 52 N 0.35 0.00 1.20 5.36 -0.26 -0.95 -1.61 115.58 119.69 2jpu h ASN 52 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2jpu h ASN 52 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2jpu h ASN 52 CO 0.03 0.11 0.00 0.59 -1.06 0.00 0.00 177.43 177.11 2jpu n ASN 53 N -3.47 0.79 0.10 5.81 5.03 -0.48 -2.71 115.26 120.32 2jpu n ASN 53 Ca -0.01 0.61 0.13 0.00 0.87 0.00 0.00 54.58 56.18 2jpu n ASN 53 Cb 0.27 -0.81 0.44 0.00 -1.02 0.00 0.00 39.78 38.66 2jpu n ASN 53 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2jpu n VAL 54 N -2.28 0.58 0.31 2.41 0.31 -0.60 -2.87 118.33 116.18 2jpu n VAL 54 Ca 0.04 -0.16 0.17 0.00 -0.01 0.00 0.00 64.34 64.38 2jpu n VAL 54 Cb 0.36 -0.69 0.76 0.00 -0.91 0.00 0.00 33.84 33.36 2jpu n VAL 54 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2jpu h LYS 55 N 0.00 0.00 0.46 5.55 3.64 -1.62 -2.98 116.57 121.62 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 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2jpu h LYS 55 CO 0.00 0.00 -0.22 -0.97 -2.27 0.00 0.00 179.45 175.99 2jpu h ASN 56 N 0.00 -0.52 -3.88 4.20 -0.00 -1.74 -3.46 115.58 110.18 2jpu h ASN 56 Ca 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.22 2jpu h ASN 56 Cb 0.30 0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 38.75 2jpu h ASN 56 CO 0.00 -0.29 -0.01 0.29 -0.00 0.00 0.00 177.43 177.42 2jpu n LYS 57 N -5.31 1.25 0.00 6.67 5.02 -1.13 -5.03 118.16 119.64 2jpu n LYS 57 Ca -0.11 -0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.05 2jpu n LYS 57 Cb 0.28 0.01 0.14 0.00 -0.02 0.00 0.00 35.03 35.44 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jpu n GLY 58 N 4.51 -0.57 3.25 0.72 0.00 -1.26 -4.94 105.19 106.89 2jpu n GLY 58 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.67 0.89 0.15 1.61 3.00 -1.26 -5.11 118.95 115.56 2jpu s ARG 59 Ca 0.17 -0.76 -0.34 0.00 -1.00 0.00 0.00 55.73 53.80 2jpu s ARG 59 Cb 0.18 0.38 -0.16 0.00 0.00 0.00 0.00 34.95 35.35 2jpu s ARG 59 CO 0.63 -0.30 1.30 0.91 0.00 0.00 0.00 175.30 177.84 2jpu n TRP 60 N 0.09 1.58 -3.56 5.12 7.02 -1.26 -4.98 117.44 121.45 2jpu n TRP 60 Ca -0.16 0.59 -0.20 0.00 -1.02 0.00 0.00 57.50 56.70 2jpu n TRP 60 Cb 0.62 -2.35 -0.03 0.00 -2.42 0.00 0.00 31.31 27.13 2jpu n TRP 60 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2jpu s LYS 61 N 0.06 2.63 0.29 -0.99 -2.85 -1.26 -5.02 119.74 112.60 2jpu s LYS 61 Ca 0.77 -1.43 0.01 0.00 -1.00 0.00 0.00 55.97 54.33 2jpu s LYS 61 Cb -0.84 -2.46 0.55 0.00 -2.06 0.00 0.00 37.83 33.02 2jpu s LYS 61 CO 0.48 -0.12 1.86 0.66 0.10 0.00 0.00 175.35 178.33 2jpu h SER 62 N 1.03 0.92 -0.94 0.03 4.64 -2.01 -2.41 113.55 114.81 2jpu h SER 62 Ca -0.42 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2jpu h SER 62 Cb 1.26 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 2jpu h SER 62 CO 0.56 0.52 0.60 -0.33 -0.87 0.00 0.00 176.83 177.32 2jpu h GLU 63 N 1.00 1.08 -0.10 4.77 5.08 -2.00 -1.68 114.58 122.73 2jpu h GLU 63 Ca 0.46 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2jpu h GLU 63 Cb 0.40 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jpu h GLU 63 CO -0.22 0.72 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.26 2jpu h ASN 64 N 1.12 0.20 0.09 1.42 4.21 -1.82 -2.31 115.58 118.49 2jpu h ASN 64 Ca 0.40 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.83 2jpu h ASN 64 Cb 0.11 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 2jpu h ASN 64 CO -0.16 0.54 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.41 2jpu h LEU 65 N 0.17 -0.11 -0.47 1.61 3.38 -1.26 0.21 115.31 118.85 2jpu h LEU 65 Ca 0.02 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 2jpu h LEU 65 Cb 0.69 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2jpu h LEU 65 CO 0.05 0.25 -0.52 2.19 0.09 0.00 0.00 178.44 180.50 2jpu h PHE 66 N -0.47 0.00 0.10 1.13 -5.15 -1.59 -2.61 116.94 108.35 2jpu h PHE 66 Ca -0.01 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 2jpu h PHE 66 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.57 2jpu h PHE 66 CO 0.04 0.52 -0.05 -0.22 -2.00 0.00 0.00 178.31 176.60 2jpu h LYS 67 N 0.00 -0.13 -0.39 6.09 3.64 -1.27 -1.91 116.57 122.61 2jpu h LYS 67 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jpu h LYS 67 Cb 1.20 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2jpu h LYS 67 CO 0.07 0.11 0.24 0.00 -2.27 0.00 0.00 179.45 177.60 2jpu h ALA 68 N 0.52 0.49 -0.23 5.00 0.00 -0.98 -2.35 119.26 121.73 2jpu h ALA 68 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jpu h ALA 68 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jpu h ALA 68 CO 0.02 -0.03 0.15 0.77 0.00 0.00 0.00 179.25 180.16 2jpu h SER 69 N 0.52 0.18 0.10 0.00 0.02 -1.40 0.41 113.55 113.38 2jpu h SER 69 Ca 0.14 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2jpu h SER 69 Cb -0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2jpu h SER 69 CO -0.03 0.13 -0.05 0.50 -1.14 0.00 0.00 176.83 176.24 2jpu h LYS 70 N 0.21 -0.13 -0.09 3.45 3.11 -0.86 -3.30 116.57 118.96 2jpu h LYS 70 Ca 0.09 0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.78 2jpu h LYS 70 Cb 0.11 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 2jpu h LYS 70 CO -0.02 0.22 -0.65 -0.07 -2.81 0.00 0.00 179.45 176.12 2jpu h LEU 71 N -0.50 0.41 0.00 5.20 3.38 -0.85 -3.17 115.31 119.78 2jpu h LEU 71 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jpu h LEU 71 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jpu h LEU 71 CO 0.02 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.69 2jpu n LEU 72 N -3.87 0.00 0.25 1.67 4.77 0.14 -2.05 117.00 117.91 2jpu n LEU 72 Ca -0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2jpu n LEU 72 Cb 0.66 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.39 2jpu n LEU 72 CO 0.46 0.00 0.92 -0.09 -1.33 0.00 0.00 177.39 177.35 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 2.43 -1.65 -0.56 114.38 117.83 2jpu h ARG 73 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jpu h ARG 73 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jpu h ARG 73 CO 0.00 0.16 -0.04 1.03 -1.51 0.00 0.00 179.97 179.61 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 0.87 -1.68 -2.97 113.55 105.97 2jpu h SER 74 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 2jpu h SER 74 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2jpu h SER 74 CO 0.02 0.04 -0.54 -1.13 -0.53 0.00 0.00 176.83 174.70 2jpu h ASN 75 N 0.00 0.00 -3.38 6.23 -0.73 -1.36 -3.48 115.58 112.86 2jpu h ASN 75 Ca -0.00 -0.52 -0.12 0.00 1.87 0.00 0.00 56.30 57.53 2jpu h ASN 75 Cb 0.09 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.42 2jpu h ASN 75 CO 0.01 1.07 -0.30 0.21 -0.37 0.00 0.00 177.43 178.05 2jpu s ASN 76 N -6.28 -0.48 0.47 1.15 2.47 -0.63 -5.04 114.94 106.60 2jpu s ASN 76 Ca -0.19 0.85 0.30 0.00 0.42 0.00 0.00 52.86 54.24 2jpu s ASN 76 Cb 0.01 0.76 1.18 0.00 -1.45 0.00 0.00 41.25 41.75 2jpu s ASN 76 CO 0.48 -0.18 1.89 0.00 -3.72 0.00 0.00 177.10 175.57 2jpu h THR 77 N 5.34 0.00 0.00 -5.21 1.03 -1.83 -2.43 112.91 109.80 2jpu h THR 77 Ca -0.35 -0.49 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 2jpu h THR 77 Cb 1.18 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 2jpu h THR 77 CO 0.29 0.00 -0.13 -0.62 -0.01 0.00 0.00 175.52 175.05 2jpu n GLU 78 N -2.88 0.11 0.06 0.00 1.02 -1.26 -4.18 120.64 113.51 2jpu n GLU 78 Ca 0.01 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 2jpu n GLU 78 Cb 0.31 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 2jpu n GLU 78 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jpu h ILE 79 N 0.00 0.46 0.00 -3.67 1.08 -1.74 -1.53 117.51 112.11 2jpu h ILE 79 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2jpu h ILE 79 Cb 0.60 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2jpu h ILE 79 CO 0.00 0.00 -0.07 -0.65 -0.69 0.00 0.00 178.15 176.74 2jpu h PRO 80 N -0.38 0.00 -0.19 2.37 0.11 -1.73 -2.49 132.00 129.70 2jpu h PRO 80 Ca 0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 2jpu h PRO 80 Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2jpu h PRO 80 CO -0.20 0.07 -0.22 0.82 -0.21 0.00 0.00 178.00 178.25 2jpu h ILE 81 N 0.00 1.34 -0.35 4.15 2.04 -1.61 -2.02 117.51 121.05 2jpu h ILE 81 Ca -0.00 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.48 2jpu h ILE 81 Cb 0.13 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2jpu h ILE 81 CO 0.01 0.43 0.14 -0.07 0.00 0.00 0.00 178.15 178.66 2jpu h LEU 82 N 0.14 0.18 -0.53 1.44 3.38 -0.84 -0.69 115.31 118.39 2jpu h LEU 82 Ca 0.02 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2jpu h LEU 82 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2jpu h LEU 82 CO 0.05 0.14 -0.28 -0.25 0.09 0.00 0.00 178.44 178.20 2jpu h TRP 83 N 0.31 1.04 -0.50 1.13 2.91 -1.58 -3.15 115.95 116.11 2jpu h TRP 83 Ca 0.16 -0.27 -0.07 0.00 1.13 0.00 0.00 58.89 59.84 2jpu h TRP 83 Cb 0.11 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 2jpu h TRP 83 CO -0.13 1.06 0.03 -0.22 -1.03 0.00 0.00 178.44 178.16 2jpu h LYS 84 N 0.76 0.81 -0.39 2.65 3.64 -0.72 0.14 116.57 123.46 2jpu h LYS 84 Ca 0.09 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2jpu h LYS 84 Cb 0.84 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 2jpu h LYS 84 CO 0.07 0.80 0.07 0.77 -2.27 0.00 0.00 179.45 178.89 2jpu h SER 85 N 0.76 -0.00 -0.34 4.20 0.02 -1.11 0.20 113.55 117.29 2jpu h SER 85 Ca 0.15 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 2jpu h SER 85 Cb 0.42 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2jpu h SER 85 CO 0.02 0.03 -0.38 0.00 -1.14 0.00 0.00 176.83 175.36 2jpu h ALA 86 N 1.30 0.50 -0.81 3.77 0.00 -1.41 -3.01 119.26 119.60 2jpu h ALA 86 Ca 0.19 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jpu h ALA 86 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2jpu h ALA 86 CO -0.25 0.59 0.52 2.35 0.00 0.00 0.00 179.25 182.46 2jpu h TRP 87 N 0.64 0.98 -0.60 0.00 2.91 -0.39 -2.34 115.95 117.15 2jpu h TRP 87 Ca 0.05 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2jpu h TRP 87 Cb 0.97 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.25 2jpu h TRP 87 CO 0.07 0.57 0.36 1.15 -1.03 0.00 0.00 178.44 179.56 2jpu h THR 88 N 1.03 1.06 -0.31 2.65 2.02 -0.51 -1.74 112.91 117.10 2jpu h THR 88 Ca 0.32 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 2jpu h THR 88 Cb -0.01 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2jpu h THR 88 CO -0.11 0.13 -0.04 -0.07 0.37 0.00 0.00 175.52 175.81 2jpu h LEU 89 N 0.71 0.46 -0.03 2.58 3.38 -1.31 -0.73 115.31 120.36 2jpu h LEU 89 Ca 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jpu h LEU 89 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jpu h LEU 89 CO -0.11 0.55 0.00 -0.74 0.09 0.00 0.00 178.44 178.23 2jpu h HIS 90 N 0.46 0.06 -0.03 1.13 2.76 -0.88 -0.63 115.15 118.02 2jpu h HIS 90 Ca 0.10 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2jpu h HIS 90 Cb 0.36 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 2jpu h HIS 90 CO 0.01 0.34 -0.00 0.28 -1.30 0.00 0.00 177.93 177.26 2jpu h VAL 91 N -0.24 1.28 0.00 5.26 2.07 -1.09 -3.09 116.25 120.44 2jpu h VAL 91 Ca 0.01 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2jpu h VAL 91 Cb 0.32 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2jpu h VAL 91 CO 0.00 0.23 -0.29 -0.33 0.02 0.00 0.00 177.57 177.19 2jpu h GLU 92 N -0.28 0.00 0.00 1.57 4.39 -1.21 -2.78 114.58 116.27 2jpu h GLU 92 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jpu h GLU 92 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jpu h GLU 92 CO 0.00 0.29 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 2jpu n GLY 93 N -0.16 -1.04 0.23 -3.84 0.00 -0.24 -1.32 105.19 98.82 2jpu n GLY 93 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 1.61 3.57 -1.56 -3.40 116.94 117.16 2jpu h PHE 94 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpu h PHE 94 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2jpu h PHE 94 CO 0.00 0.02 0.00 0.72 -2.23 0.00 0.00 178.31 176.82 2jpu n HIS 95 N -3.11 0.00 -3.96 0.41 8.25 -0.43 -4.94 115.22 111.44 2jpu n HIS 95 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 2jpu n HIS 95 Cb 0.50 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.32 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2jpu s GLU 96 N -0.73 2.54 -1.38 -0.41 2.02 -1.15 -5.01 118.70 114.58 2jpu s GLU 96 Ca 0.00 -1.18 -0.13 0.00 0.02 0.00 0.00 54.97 53.68 2jpu s GLU 96 Cb 0.00 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 2jpu s GLU 96 CO 0.00 -0.53 2.37 1.28 0.02 0.00 0.00 175.26 178.40 2jpu n LEU 97 N 4.60 6.88 -3.11 1.80 7.99 -1.26 -4.60 117.00 129.30 2jpu n LEU 97 Ca -0.15 -3.96 -0.08 0.00 -0.01 0.00 0.00 56.01 51.82 2jpu n LEU 97 Cb 0.44 -1.53 -0.03 0.00 -0.11 0.00 0.00 43.42 42.20 2jpu n LEU 97 CO 0.26 1.14 -0.00 -0.94 -1.51 0.00 0.00 177.39 176.33 2jpu s SER 98 N 3.18 -0.58 -0.17 -1.43 1.04 -1.26 -4.99 113.70 109.49 2jpu s SER 98 Ca 0.54 -1.57 -0.22 0.00 0.48 0.00 0.00 55.95 55.18 2jpu s SER 98 Cb 0.15 1.36 -0.02 0.00 0.10 0.00 0.00 66.02 67.60 2jpu s SER 98 CO -0.05 -0.15 0.67 -0.76 0.98 0.00 0.00 173.24 173.94 2jpu s LEU 99 N 1.20 4.17 0.41 2.42 1.43 -1.26 -5.03 118.68 122.02 2jpu s LEU 99 Ca 0.23 0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 54.02 2jpu s LEU 99 Cb -0.04 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.12 2jpu s LEU 99 CO -0.07 -0.27 1.22 0.20 0.23 0.00 0.00 176.35 177.65 2jpu s ASN 100 N 1.13 6.38 0.31 2.29 0.01 -1.26 -4.91 114.94 118.89 2jpu s ASN 100 Ca 0.32 2.45 0.06 0.00 -0.71 0.00 0.00 52.86 54.98 2jpu s ASN 100 Cb -0.16 -2.62 0.52 0.00 0.41 0.00 0.00 41.25 39.40 2jpu s ASN 100 CO 0.12 -0.79 1.76 -0.08 -1.51 0.00 0.00 177.10 176.60 2jpu h GLU 101 N 2.55 0.30 -0.61 -0.60 4.81 -1.99 -1.49 114.58 117.55 2jpu h GLU 101 Ca -0.49 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2jpu h GLU 101 Cb 1.24 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2jpu h GLU 101 CO 0.62 0.58 0.39 -0.22 -0.73 0.00 0.00 179.01 179.65 2jpu h LYS 102 N 0.27 0.81 0.05 1.92 3.11 -2.01 -2.00 116.57 118.72 2jpu h LYS 102 Ca 0.04 -0.06 -0.25 0.00 -2.81 0.00 0.00 60.65 57.57 2jpu h LYS 102 Cb 0.68 -0.18 0.01 0.00 -1.00 0.00 0.00 32.23 31.74 2jpu h LYS 102 CO 0.05 0.55 -1.07 0.93 -2.81 0.00 0.00 179.45 177.10 2jpu h GLU 103 N 0.83 0.44 -0.26 1.90 5.08 -1.68 -3.13 114.58 117.76 2jpu h GLU 103 Ca 0.22 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2jpu h GLU 103 Cb -0.07 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jpu h GLU 103 CO -0.05 1.20 0.18 0.28 -1.00 0.00 0.00 179.01 179.62 2jpu h VAL 104 N 0.22 1.00 -0.92 3.13 2.07 -0.79 -1.36 116.25 119.60 2jpu h VAL 104 Ca -0.12 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.44 2jpu h VAL 104 Cb 1.73 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 2jpu h VAL 104 CO 0.19 0.04 0.59 0.11 0.02 0.00 0.00 177.57 178.52 2jpu h LYS 105 N 0.23 0.81 -0.12 1.57 1.79 -1.32 -1.13 116.57 118.40 2jpu h LYS 105 Ca 0.11 -0.05 -0.20 0.00 -2.18 0.00 0.00 60.65 58.33 2jpu h LYS 105 Cb 0.14 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2jpu h LYS 105 CO -0.02 0.54 -0.70 0.87 -1.08 0.00 0.00 179.45 179.05 2jpu h LYS 106 N 0.84 0.69 -0.42 3.15 1.79 -1.39 -3.20 116.57 118.03 2jpu h LYS 106 Ca 0.45 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2jpu h LYS 106 Cb 0.55 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2jpu h LYS 106 CO -0.21 1.19 0.21 -0.07 -1.08 0.00 0.00 179.45 179.50 2jpu h LEU 107 N 0.38 0.51 -0.28 2.94 -0.00 -1.16 0.24 115.31 117.93 2jpu h LEU 107 Ca -0.05 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2jpu h LEU 107 Cb 1.34 -0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 2jpu h LEU 107 CO 0.14 0.42 -0.02 0.11 -0.00 0.00 0.00 178.44 179.10 2jpu h LYS 108 N 0.58 0.06 -0.21 1.13 1.57 -1.25 -0.44 116.57 118.01 2jpu h LYS 108 Ca 0.15 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2jpu h LYS 108 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jpu h LYS 108 CO -0.02 0.04 -0.26 0.93 -0.57 0.00 0.00 179.45 179.56 2jpu h GLU 109 N 0.06 0.55 -0.66 3.15 4.39 -1.16 0.34 114.58 121.25 2jpu h GLU 109 Ca 0.14 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2jpu h GLU 109 Cb 0.19 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2jpu h GLU 109 CO -0.25 0.90 0.36 -0.44 -1.16 0.00 0.00 179.01 178.43 2jpu h ASP 110 N 0.22 0.82 0.07 1.42 3.32 -0.49 0.11 116.42 121.89 2jpu h ASP 110 Ca 0.03 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 2jpu h ASP 110 Cb 0.83 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 2jpu h ASP 110 CO 0.06 0.67 -0.69 0.58 -1.72 0.00 0.00 179.24 178.14 2jpu h VAL 111 N 0.89 1.33 -0.78 -1.35 2.07 -1.09 -3.11 116.25 114.22 2jpu h VAL 111 Ca 0.23 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.76 2jpu h VAL 111 Cb 0.03 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2jpu h VAL 111 CO -0.04 0.62 0.52 -0.09 0.02 0.00 0.00 177.57 178.59 2jpu h ARG 112 N 0.40 1.03 -0.74 1.57 2.43 -0.35 0.51 114.38 119.23 2jpu h ARG 112 Ca -0.03 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2jpu h ARG 112 Cb 1.28 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 2jpu h ARG 112 CO 0.13 0.69 0.39 0.87 -1.51 0.00 0.00 179.97 180.53 2jpu h LYS 113 N 1.06 0.64 -0.17 0.20 1.57 -0.77 0.86 116.57 119.97 2jpu h LYS 113 Ca 0.29 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2jpu h LYS 113 Cb -0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.05 2jpu h LYS 113 CO -0.06 0.42 -0.34 1.25 -0.57 0.00 0.00 179.45 180.15 2jpu h LEU 114 N 0.65 0.58 -0.30 2.94 5.85 -1.27 -2.93 115.31 120.84 2jpu h LEU 114 Ca 0.36 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2jpu h LEU 114 Cb 0.36 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jpu h LEU 114 CO -0.26 1.03 0.10 0.58 -0.34 0.00 0.00 178.44 179.55 2jpu h VAL 115 N 0.16 1.20 -0.88 1.05 2.07 -0.57 -2.46 116.25 116.81 2jpu h VAL 115 Ca 0.00 -0.63 0.12 0.00 0.82 0.00 0.00 66.70 67.01 2jpu h VAL 115 Cb 0.94 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 2jpu h VAL 115 CO 0.08 0.21 0.57 0.40 0.02 0.00 0.00 177.57 178.85 2jpu h ILE 116 N 0.32 0.90 -0.18 4.57 2.04 -0.87 -0.85 117.51 123.45 2jpu h ILE 116 Ca 0.10 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2jpu h ILE 116 Cb 0.23 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2jpu h ILE 116 CO -0.00 0.14 -0.19 0.15 0.00 0.00 0.00 178.15 178.24 2jpu h PHE 117 N 0.78 0.54 0.03 1.37 3.57 -1.28 0.19 116.94 122.15 2jpu h PHE 117 Ca 0.43 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2jpu h PHE 117 Cb 0.56 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2jpu h PHE 117 CO -0.00 0.83 -0.01 0.00 -2.23 0.00 0.00 178.31 176.89 2jpu h ALA 118 N 0.63 -0.04 -0.14 2.41 0.00 -0.97 -1.95 119.26 119.20 2jpu h ALA 118 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2jpu h ALA 118 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jpu h ALA 118 CO 0.05 -0.50 -0.32 0.28 0.00 0.00 0.00 179.25 178.76 2jpu h VAL 119 N -0.09 1.27 -0.69 0.00 2.07 -1.15 -2.42 116.25 115.25 2jpu h VAL 119 Ca -0.00 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2jpu h VAL 119 Cb 0.08 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2jpu h VAL 119 CO 0.01 0.40 0.27 -1.13 0.02 0.00 0.00 177.57 177.14 2jpu h ASN 120 N 0.24 0.96 0.66 0.57 -0.73 -0.78 -2.47 115.58 114.03 2jpu h ASN 120 Ca 0.03 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 57.98 2jpu h ASN 120 Cb 0.69 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2jpu h ASN 120 CO 0.05 0.87 -0.20 -1.28 -0.37 0.00 0.00 177.43 176.50 2jpu h SER 121 N 0.99 0.00 0.23 1.15 0.87 -0.87 0.92 113.55 116.84 2jpu h SER 121 Ca 0.23 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2jpu h SER 121 Cb 0.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2jpu h SER 121 CO -0.02 0.20 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.31 2jpu h LEU 122 N 0.00 0.00 -1.62 2.23 4.07 -1.11 0.16 115.31 119.04 2jpu h LEU 122 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jpu h LEU 122 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2jpu h LEU 122 CO 0.03 0.10 0.00 -0.62 -1.08 0.00 0.00 178.44 176.87 2jpu n GLU 123 N -3.87 2.03 -2.81 1.13 1.02 -1.07 -4.92 120.64 112.16 2jpu n GLU 123 Ca -0.02 -1.59 -0.11 0.00 -0.02 0.00 0.00 57.16 55.42 2jpu n GLU 123 Cb 0.20 -1.38 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 2jpu n GLU 123 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jpu n HIS 124 N 0.79 -1.87 -2.46 -0.32 -0.00 0.57 -4.15 115.22 107.79 2jpu n HIS 124 Ca 0.16 0.65 -0.07 0.00 -0.00 0.00 0.00 57.72 58.46 2jpu n HIS 124 Cb 0.39 -3.71 0.03 0.00 -0.00 0.00 0.00 29.99 26.71 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 125 N -2.75 -0.99 -4.77 1.57 -0.00 -1.07 -4.90 115.22 102.32 2jpu n HIS 125 Ca -0.05 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2jpu n HIS 125 Cb 0.59 -3.27 0.00 0.00 -0.00 0.00 0.00 29.99 27.31 2jpu n HIS 125 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 126 N -2.30 -0.77 -0.11 1.57 -0.00 0.30 -4.38 115.22 109.52 2jpu n HIS 126 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.68 2jpu n HIS 126 Cb 0.56 0.15 0.12 0.00 -0.00 0.00 0.00 29.99 30.83 2jpu n HIS 126 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 127 N 0.00 0.37 -3.86 1.57 -0.00 -1.26 -4.71 115.22 107.32 2jpu n HIS 127 Ca 0.00 -0.47 -0.11 0.00 0.46 0.00 0.00 57.72 57.61 2jpu n HIS 127 Cb 0.00 -0.03 -0.09 0.00 -0.12 0.00 0.00 29.99 29.75 2jpu n HIS 127 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jpu s HIS 128 N -0.99 0.06 0.00 1.57 3.76 -1.26 -5.22 115.29 113.21 2jpu s HIS 128 Ca 0.19 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2jpu s HIS 128 Cb 0.10 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.74 2jpu s HIS 128 CO 0.13 -0.36 0.00 1.58 -0.85 0.00 0.00 174.74 175.24