#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 2.06 -4.43 7.83 7.64 -1.26 -4.99 113.62 120.47 2jpu n SER 2 Ca 0.00 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.73 2jpu n SER 2 Cb 0.00 -0.67 -0.10 0.00 -1.01 0.00 0.00 64.21 62.43 2jpu n SER 2 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jpu s ILE 3 N -2.54 1.41 -0.43 0.44 1.09 -1.26 -5.11 121.20 114.80 2jpu s ILE 3 Ca -0.28 -2.06 0.03 0.00 -1.10 0.00 0.00 60.65 57.24 2jpu s ILE 3 Cb 0.08 -2.58 0.15 0.00 -1.06 0.00 0.00 42.46 39.05 2jpu s ILE 3 CO 0.69 -0.18 0.30 -0.94 -0.10 0.00 0.00 174.94 174.71 2jpu s SER 4 N -3.45 2.67 0.58 3.58 1.04 -1.26 -5.05 113.70 111.80 2jpu s SER 4 Ca 0.32 -2.83 -0.02 0.00 0.48 0.00 0.00 55.95 53.90 2jpu s SER 4 Cb 0.06 -0.68 0.03 0.00 0.10 0.00 0.00 66.02 65.53 2jpu s SER 4 CO 0.13 -0.22 0.83 -0.89 0.98 0.00 0.00 173.24 174.08 2jpu s THR 5 N 0.22 2.93 0.41 2.02 2.01 -1.26 -4.91 115.64 117.07 2jpu s THR 5 Ca 0.25 -0.44 0.17 0.00 0.31 0.00 0.00 61.69 61.97 2jpu s THR 5 Cb -0.10 -3.15 0.37 0.00 0.01 0.00 0.00 72.50 69.64 2jpu s THR 5 CO -0.10 -0.12 1.85 0.77 -0.69 0.00 0.00 174.62 176.33 2jpu h SER 6 N -0.08 0.44 0.00 3.53 4.64 -2.00 -1.09 113.55 118.99 2jpu h SER 6 Ca -0.44 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2jpu h SER 6 Cb 1.29 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 2jpu h SER 6 CO 0.56 0.17 -0.22 0.00 -0.87 0.00 0.00 176.83 176.47 2jpu h ALA 7 N 1.61 -0.29 -0.27 5.18 0.00 -1.89 -0.33 119.26 123.26 2jpu h ALA 7 Ca 0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 2jpu h ALA 7 Cb 1.16 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2jpu h ALA 7 CO -0.19 -0.72 -0.09 0.93 0.00 0.00 0.00 179.25 179.17 2jpu h GLU 8 N -0.35 0.44 -0.32 0.00 4.39 -1.59 0.21 114.58 117.35 2jpu h GLU 8 Ca 0.06 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2jpu h GLU 8 Cb 0.43 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2jpu h GLU 8 CO -0.20 0.54 0.14 0.28 -1.16 0.00 0.00 179.01 178.61 2jpu h VAL 9 N 0.41 1.18 -0.07 3.13 2.07 -0.68 0.12 116.25 122.41 2jpu h VAL 9 Ca 0.08 -0.53 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 2jpu h VAL 9 Cb 0.42 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2jpu h VAL 9 CO 0.02 0.19 -0.78 1.88 0.02 0.00 0.00 177.57 178.90 2jpu h TYR 10 N 0.37 0.59 -0.71 1.57 0.05 -0.88 -3.22 116.97 114.75 2jpu h TYR 10 Ca 0.11 -0.27 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 2jpu h TYR 10 Cb 0.17 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2jpu h TYR 10 CO -0.01 1.05 0.30 -0.92 -1.05 0.00 0.00 178.16 177.53 2jpu h TYR 11 N 0.28 1.04 -0.66 4.88 3.20 -0.33 -1.56 116.97 123.82 2jpu h TYR 11 Ca -0.04 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.78 2jpu h TYR 11 Cb 1.37 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2jpu h TYR 11 CO 0.05 0.78 0.42 1.49 -1.64 0.00 0.00 178.16 179.27 2jpu h GLU 12 N 1.01 0.82 -0.62 1.82 4.81 -0.78 0.24 114.58 121.89 2jpu h GLU 12 Ca 0.24 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2jpu h GLU 12 Cb 0.17 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2jpu h GLU 12 CO -0.02 0.55 0.01 0.93 -0.73 0.00 0.00 179.01 179.75 2jpu h GLU 13 N 0.85 1.08 -0.68 1.92 5.08 -1.52 0.06 114.58 121.37 2jpu h GLU 13 Ca 0.25 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2jpu h GLU 13 Cb -0.04 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 2jpu h GLU 13 CO -0.08 1.05 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 2jpu h ALA 14 N 1.00 0.90 -0.65 3.43 0.00 -0.43 0.20 119.26 123.70 2jpu h ALA 14 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2jpu h ALA 14 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2jpu h ALA 14 CO 0.03 0.17 0.42 0.93 0.00 0.00 0.00 179.25 180.80 2jpu h GLU 15 N 0.81 0.82 -0.75 0.00 4.39 -0.23 0.10 114.58 119.72 2jpu h GLU 15 Ca 0.28 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 2jpu h GLU 15 Cb 0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2jpu h GLU 15 CO -0.12 0.54 0.32 0.93 -1.16 0.00 0.00 179.01 179.52 2jpu h GLU 16 N 0.84 1.10 0.12 2.33 4.39 0.40 -1.87 114.58 121.89 2jpu h GLU 16 Ca 0.25 -0.19 -0.27 0.00 0.34 0.00 0.00 59.36 59.49 2jpu h GLU 16 Cb -0.06 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2jpu h GLU 16 CO -0.07 0.88 -1.22 0.74 -1.16 0.00 0.00 179.01 178.18 2jpu h PHE 17 N 1.06 0.60 0.00 4.33 0.04 -0.50 -3.14 116.94 119.34 2jpu h PHE 17 Ca 0.25 -0.41 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 2jpu h PHE 17 Cb 0.18 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2jpu h PHE 17 CO 0.01 1.30 -0.41 1.25 -0.60 0.00 0.00 178.31 179.87 2jpu h LEU 18 N 0.12 0.00 -0.16 1.54 5.85 -0.87 -0.92 115.31 120.87 2jpu h LEU 18 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jpu h LEU 18 Cb 1.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.95 2jpu h LEU 18 CO 0.21 0.41 -0.10 -1.54 -0.34 0.00 0.00 178.44 177.08 2jpu n SER 19 N -3.76 0.35 -0.05 1.25 3.41 -0.71 -2.94 113.62 111.17 2jpu n SER 19 Ca -0.01 -0.42 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 2jpu n SER 19 Cb 0.48 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 2jpu n SER 19 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jpu n LYS 20 N -1.08 1.24 -0.11 4.33 4.81 -0.47 -4.98 118.16 121.90 2jpu n LYS 20 Ca 0.14 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jpu n LYS 20 Cb 0.28 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.99 2jpu n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jpu n GLY 21 N 1.40 0.77 3.56 3.14 0.00 -0.72 -5.05 105.19 108.29 2jpu n GLY 21 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.44 6.29 -0.03 1.61 -1.08 -0.50 -4.92 116.67 115.61 2jpu s ASP 22 Ca 0.00 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.08 2jpu s ASP 22 Cb 0.00 -2.25 -0.25 0.00 -1.46 0.00 0.00 42.92 38.96 2jpu s ASP 22 CO 0.00 -0.41 0.72 -0.07 0.52 0.00 0.00 175.17 175.94 2jpu h LEU 23 N 8.95 0.18 0.28 -1.34 3.38 -1.95 -3.32 115.31 121.50 2jpu h LEU 23 Ca -0.29 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 2jpu h LEU 23 Cb 1.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jpu h LEU 23 CO 0.74 1.28 -0.14 0.58 0.09 0.00 0.00 178.44 181.00 2jpu h VAL 24 N 0.03 0.73 0.00 1.22 2.07 -1.91 -0.65 116.25 117.75 2jpu h VAL 24 Ca -0.27 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 2jpu h VAL 24 Cb 1.99 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 2jpu h VAL 24 CO 0.11 0.12 -0.41 1.56 0.02 0.00 0.00 177.57 178.97 2jpu h GLN 25 N -0.73 0.00 -0.01 1.57 4.20 -1.98 -3.18 115.11 114.97 2jpu h GLN 25 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2jpu h GLN 25 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2jpu h GLN 25 CO 0.06 0.41 -0.05 0.00 -0.67 0.00 0.00 178.83 178.59 2jpu h ALA 26 N 1.59 0.02 -0.78 3.87 0.00 -1.64 -3.27 119.26 119.04 2jpu h ALA 26 Ca -0.00 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2jpu h ALA 26 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2jpu h ALA 26 CO 0.05 -0.12 0.51 0.00 0.00 0.00 0.00 179.25 179.70 2jpu h GLU 28 N 0.87 0.64 0.00 0.00 5.08 -1.66 -1.84 114.58 117.67 2jpu h GLU 28 Ca 0.33 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jpu h GLU 28 Cb 0.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jpu h GLU 28 CO -0.11 0.83 -0.13 1.57 -1.00 0.00 0.00 179.01 180.17 2jpu h LYS 29 N 0.41 0.00 -0.65 2.33 2.10 -1.45 -2.00 116.57 117.31 2jpu h LYS 29 Ca 0.08 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2jpu h LYS 29 Cb 0.61 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.91 2jpu h LYS 29 CO 0.04 0.00 0.20 1.88 -2.00 0.00 0.00 179.45 179.57 2jpu h TYR 30 N 0.00 1.06 -0.49 0.07 0.05 -0.57 -2.21 116.97 114.88 2jpu h TYR 30 Ca 0.00 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 2jpu h TYR 30 Cb 0.91 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 2jpu h TYR 30 CO 0.00 0.86 0.04 -0.92 -1.05 0.00 0.00 178.16 177.08 2jpu h TYR 31 N 0.95 0.84 -0.19 4.88 3.20 -0.93 -1.62 116.97 124.10 2jpu h TYR 31 Ca 0.21 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2jpu h TYR 31 Cb 0.30 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2jpu h TYR 31 CO 0.02 0.75 0.12 0.87 -1.64 0.00 0.00 178.16 178.28 2jpu h LYS 32 N 0.75 0.23 -0.64 1.82 1.79 -1.12 0.71 116.57 120.11 2jpu h LYS 32 Ca 0.15 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.57 2jpu h LYS 32 Cb 0.40 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2jpu h LYS 32 CO 0.01 0.15 0.23 0.00 -1.08 0.00 0.00 179.45 178.77 2jpu h ALA 33 N 1.08 1.19 0.08 3.86 0.00 -1.19 -1.80 119.26 122.49 2jpu h ALA 33 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jpu h ALA 33 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jpu h ALA 33 CO -0.03 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 2jpu h ALA 34 N 1.31 -0.11 -0.24 0.00 0.00 -0.78 -2.42 119.26 117.02 2jpu h ALA 34 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jpu h ALA 34 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpu h ALA 34 CO -0.01 -0.40 -0.25 1.05 0.00 0.00 0.00 179.25 179.64 2jpu h GLU 35 N -0.43 0.46 -0.12 0.00 4.11 -0.80 -2.64 114.58 115.16 2jpu h GLU 35 Ca -0.01 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2jpu h GLU 35 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jpu h GLU 35 CO 0.02 0.68 0.07 0.93 0.07 0.00 0.00 179.01 180.78 2jpu h GLU 36 N 0.41 0.16 -0.29 1.06 4.39 -1.33 -2.89 114.58 116.09 2jpu h GLU 36 Ca 0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jpu h GLU 36 Cb 0.66 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2jpu h GLU 36 CO 0.05 0.15 0.18 0.00 -1.16 0.00 0.00 179.01 178.23 2jpu h ALA 37 N 1.00 1.77 -0.41 3.43 0.00 -1.10 -2.07 119.26 121.89 2jpu h ALA 37 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jpu h ALA 37 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jpu h ALA 37 CO -0.01 0.21 0.20 0.82 0.00 0.00 0.00 179.25 180.47 2jpu h ILE 38 N 0.40 0.97 -0.55 0.00 1.08 -1.26 -1.15 117.51 116.98 2jpu h ILE 38 Ca 0.11 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2jpu h ILE 38 Cb -0.03 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2jpu h ILE 38 CO -0.02 0.07 0.36 0.11 -0.69 0.00 0.00 178.15 177.98 2jpu h LYS 39 N 0.40 0.73 -0.54 2.37 1.57 -1.36 -1.36 116.57 118.39 2jpu h LYS 39 Ca 0.18 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2jpu h LYS 39 Cb 0.09 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 2jpu h LYS 39 CO -0.13 0.50 0.24 -0.07 -0.57 0.00 0.00 179.45 179.43 2jpu h LEU 40 N 0.75 0.31 -0.70 2.94 4.07 -1.26 0.22 115.31 121.64 2jpu h LEU 40 Ca 0.20 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.15 2jpu h LEU 40 Cb -0.06 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2jpu h LEU 40 CO -0.04 0.21 0.19 -0.07 -1.08 0.00 0.00 178.44 177.65 2jpu h LEU 41 N 0.46 1.03 -0.29 1.67 3.38 -0.72 -1.31 115.31 119.54 2jpu h LEU 41 Ca 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jpu h LEU 41 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jpu h LEU 41 CO -0.21 0.98 0.06 0.58 0.09 0.00 0.00 178.44 179.94 2jpu h VAL 42 N 1.03 1.22 -0.59 1.22 2.07 -0.63 -1.64 116.25 118.93 2jpu h VAL 42 Ca 0.22 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 2jpu h VAL 42 Cb 0.34 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2jpu h VAL 42 CO -0.00 0.25 0.00 0.40 0.02 0.00 0.00 177.57 178.24 2jpu h ILE 43 N 0.30 1.27 -0.46 4.57 2.04 -0.85 0.31 117.51 124.68 2jpu h ILE 43 Ca 0.09 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 2jpu h ILE 43 Cb 0.32 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2jpu h ILE 43 CO 0.00 0.41 -0.04 -0.33 0.00 0.00 0.00 178.15 178.19 2jpu h GLU 44 N 0.94 0.85 0.00 2.37 4.39 -1.19 -2.89 114.58 119.05 2jpu h GLU 44 Ca 0.17 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2jpu h GLU 44 Cb 0.55 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2jpu h GLU 44 CO 0.03 0.92 -0.37 -0.91 -1.16 0.00 0.00 179.01 177.52 2jpu h ASN 45 N 0.69 0.00 -5.71 1.42 -0.26 -1.19 -3.48 115.58 107.05 2jpu h ASN 45 Ca 0.13 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.55 2jpu h ASN 45 Cb 0.57 0.00 0.16 0.00 -1.06 0.00 0.00 38.32 37.99 2jpu h ASN 45 CO 0.03 0.37 -0.87 -3.20 -1.06 0.00 0.00 177.43 172.70 2jpu n ASN 46 N -3.24 -5.58 -4.56 5.81 5.15 0.11 -4.88 115.26 108.07 2jpu n ASN 46 Ca 0.02 -0.79 -0.39 0.00 -0.60 0.00 0.00 54.58 52.82 2jpu n ASN 46 Cb 0.64 -4.66 -0.03 0.00 -0.53 0.00 0.00 39.78 35.21 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 -5.83 3.30 0.41 1.20 1.43 -1.16 -4.84 118.68 113.18 2jpu s LEU 47 Ca 0.40 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2jpu s LEU 47 Cb -0.08 -2.64 0.87 0.00 0.03 0.00 0.00 46.19 44.37 2jpu s LEU 47 CO 0.78 -2.22 2.03 0.50 0.23 0.00 0.00 176.35 177.66 2jpu h LYS 48 N 13.97 0.43 0.00 1.70 3.64 -1.93 0.12 116.57 134.50 2jpu h LYS 48 Ca -0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2jpu h LYS 48 Cb 1.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2jpu h LYS 48 CO 1.21 0.34 0.00 0.93 -2.27 0.00 0.00 179.45 179.66 2jpu h GLU 49 N 0.44 0.00 0.01 1.90 5.08 -2.00 -0.87 114.58 119.13 2jpu h GLU 49 Ca 0.11 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.09 2jpu h GLU 49 Cb 0.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2jpu h GLU 49 CO -0.02 0.00 -2.44 -0.89 -1.00 0.00 0.00 179.01 174.66 2jpu n ILE 50 N -2.95 1.50 -0.02 3.13 2.08 0.18 -4.23 119.36 119.06 2jpu n ILE 50 Ca -0.01 -0.60 -0.02 0.00 0.56 0.00 0.00 62.75 62.68 2jpu n ILE 50 Cb 0.17 -1.36 0.25 0.00 -0.75 0.00 0.00 39.64 37.95 2jpu n ILE 50 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2jpu h THR 51 N 0.00 1.22 -0.14 1.39 1.35 -0.70 -1.34 112.91 114.71 2jpu h THR 51 Ca -0.57 -0.96 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2jpu h THR 51 Cb 1.94 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 2jpu h THR 51 CO -0.07 0.32 0.07 0.78 -0.25 0.00 0.00 175.52 176.38 2jpu h ASN 52 N 0.52 0.16 -0.05 5.36 2.35 -1.38 -1.51 115.58 121.04 2jpu h ASN 52 Ca 0.10 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2jpu h ASN 52 Cb 0.44 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2jpu h ASN 52 CO 0.02 0.13 -0.01 0.78 -1.65 0.00 0.00 177.43 176.71 2jpu h ASN 53 N 0.19 0.09 0.81 5.81 2.35 -1.42 -3.00 115.58 120.41 2jpu h ASN 53 Ca 0.05 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2jpu h ASN 53 Cb 0.01 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2jpu h ASN 53 CO -0.01 0.41 0.00 0.52 -1.65 0.00 0.00 177.43 176.71 2jpu n VAL 54 N -4.86 0.59 0.17 2.81 0.31 -0.96 0.50 118.33 116.89 2jpu n VAL 54 Ca -0.07 0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.40 2jpu n VAL 54 Cb 0.20 -0.81 0.27 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.00 5.55 3.64 -1.15 -3.36 116.57 121.26 2jpu h LYS 55 Ca 0.00 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.98 2jpu h LYS 55 Cb 0.41 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2jpu h LYS 55 CO 0.00 0.44 -2.37 -1.71 -2.27 0.00 0.00 179.45 173.54 2jpu n ASN 56 N -3.54 1.82 -4.76 4.20 4.05 -0.22 -4.96 115.26 111.85 2jpu n ASN 56 Ca -0.00 0.22 -0.39 0.00 0.45 0.00 0.00 54.58 54.86 2jpu n ASN 56 Cb 0.56 -0.66 -0.05 0.00 1.23 0.00 0.00 39.78 40.86 2jpu n ASN 56 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2jpu s LYS 57 N -2.45 4.62 0.05 1.20 1.02 0.18 -4.99 119.74 119.37 2jpu s LYS 57 Ca -0.34 1.56 -0.34 0.00 0.02 0.00 0.00 55.97 56.88 2jpu s LYS 57 Cb 0.12 -3.04 -0.19 0.00 -0.52 0.00 0.00 37.83 34.21 2jpu s LYS 57 CO 0.45 0.27 1.47 0.78 -0.92 0.00 0.00 175.35 177.40 2jpu h GLY 58 N 3.58 -1.17 -2.38 -3.33 0.00 -1.87 -3.41 103.07 94.49 2jpu h GLY 58 Ca -0.46 0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 2jpu h GLY 58 CO 0.66 -0.43 -0.41 -1.60 0.00 0.00 0.00 176.54 174.77 2jpu s ARG 59 N -5.67 1.40 -0.29 4.80 6.06 -1.26 -5.01 118.95 118.98 2jpu s ARG 59 Ca -0.18 -1.52 -0.29 0.00 -2.50 0.00 0.00 55.73 51.24 2jpu s ARG 59 Cb 0.02 0.36 0.01 0.00 0.06 0.00 0.00 34.95 35.40 2jpu s ARG 59 CO 0.56 -0.52 1.10 -1.58 -2.50 0.00 0.00 175.30 172.36 2jpu s TRP 60 N -4.00 3.14 0.01 5.12 0.52 -1.26 -4.87 118.94 117.59 2jpu s TRP 60 Ca 0.33 1.22 -0.00 0.00 0.02 0.00 0.00 56.10 57.66 2jpu s TRP 60 Cb 0.04 -3.61 -0.00 0.00 -1.15 0.00 0.00 33.47 28.74 2jpu s TRP 60 CO 0.12 -0.83 -0.00 1.63 0.02 0.00 0.00 176.95 177.88 2jpu n LYS 61 N 6.78 0.01 0.00 4.98 4.01 -1.26 -5.07 118.16 127.60 2jpu n LYS 61 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 2jpu n LYS 61 Cb 0.47 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.86 2jpu n LYS 61 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2jpu n SER 62 N -2.65 0.00 -0.22 4.39 3.41 -1.26 -4.90 113.62 112.39 2jpu n SER 62 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jpu n SER 62 Cb 0.01 0.45 0.12 0.00 -0.26 0.00 0.00 64.21 64.52 2jpu n SER 62 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jpu h GLU 63 N 0.00 0.46 -0.88 4.33 4.81 -1.97 0.10 114.58 121.44 2jpu h GLU 63 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jpu h GLU 63 Cb 0.00 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2jpu h GLU 63 CO 0.00 0.31 0.54 -0.91 -0.73 0.00 0.00 179.01 178.22 2jpu h ASN 64 N 0.48 1.04 -0.14 1.04 2.35 -1.92 -1.63 115.58 116.80 2jpu h ASN 64 Ca 0.32 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.83 2jpu h ASN 64 Cb 0.37 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2jpu h ASN 64 CO -0.29 0.79 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.58 2jpu h LEU 65 N 1.21 0.79 -0.81 1.61 3.38 -1.46 -0.40 115.31 119.63 2jpu h LEU 65 Ca 0.32 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2jpu h LEU 65 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2jpu h LEU 65 CO -0.06 1.29 -0.07 0.15 0.09 0.00 0.00 178.44 179.84 2jpu h PHE 66 N 0.35 0.90 -0.14 1.13 3.04 -0.73 -0.67 116.94 120.82 2jpu h PHE 66 Ca -0.04 -0.15 -0.14 0.00 3.98 0.00 0.00 57.97 61.62 2jpu h PHE 66 Cb 1.27 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.55 2jpu h PHE 66 CO 0.10 0.86 -0.46 -0.22 -2.02 0.00 0.00 178.31 176.57 2jpu h LYS 67 N 0.75 0.55 0.00 1.11 3.64 -1.27 -3.02 116.57 118.33 2jpu h LYS 67 Ca 0.13 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2jpu h LYS 67 Cb 0.56 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2jpu h LYS 67 CO 0.03 1.03 -0.04 0.00 -2.27 0.00 0.00 179.45 178.21 2jpu h ALA 68 N 0.52 1.88 0.00 5.00 0.00 -0.90 -1.43 119.26 124.33 2jpu h ALA 68 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2jpu h ALA 68 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jpu h ALA 68 CO 0.10 0.05 -0.27 1.03 0.00 0.00 0.00 179.25 180.15 2jpu h SER 69 N 0.00 0.00 -0.61 0.00 0.87 -0.99 -2.37 113.55 110.45 2jpu h SER 69 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2jpu h SER 69 Cb 0.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2jpu h SER 69 CO 0.00 0.27 0.30 0.50 -0.53 0.00 0.00 176.83 177.38 2jpu h LYS 70 N 0.00 0.87 0.00 2.24 3.11 -1.21 -3.11 116.57 118.48 2jpu h LYS 70 Ca -0.00 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2jpu h LYS 70 Cb 0.69 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2jpu h LYS 70 CO 0.04 0.70 0.00 1.28 -2.81 0.00 0.00 179.45 178.65 2jpu n LEU 71 N -4.52 0.00 -0.32 5.20 4.77 -0.89 -4.60 117.00 116.64 2jpu n LEU 71 Ca 0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 2jpu n LEU 71 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2jpu n LEU 71 CO 0.38 0.00 -0.04 0.18 -1.33 0.00 0.00 177.39 176.58 2jpu n LEU 72 N 0.00 0.16 0.22 2.23 4.77 -1.24 -4.76 117.00 118.37 2jpu n LEU 72 Ca 0.00 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.24 2jpu n LEU 72 Cb 0.00 -1.90 0.64 0.00 -2.33 0.00 0.00 43.42 39.83 2jpu n LEU 72 CO 0.00 -0.68 0.94 -0.09 -1.33 0.00 0.00 177.39 176.23 2jpu h ARG 73 N 0.24 0.00 0.00 3.23 1.12 -1.81 -0.68 114.38 116.47 2jpu h ARG 73 Ca -0.09 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.74 2jpu h ARG 73 Cb 0.73 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.69 2jpu h ARG 73 CO 0.12 0.00 -0.24 0.66 -3.11 0.00 0.00 179.97 177.41 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 4.64 -1.98 -3.14 113.55 109.27 2jpu h SER 74 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2jpu h SER 74 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2jpu h SER 74 CO 0.00 0.24 -0.90 0.78 -0.87 0.00 0.00 176.83 176.07 2jpu h ASN 75 N 0.00 0.00 -4.00 4.97 2.35 -1.54 -3.49 115.58 113.86 2jpu h ASN 75 Ca -0.00 -0.60 0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2jpu h ASN 75 Cb 0.57 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.71 2jpu h ASN 75 CO 0.03 1.33 0.43 0.21 -1.65 0.00 0.00 177.43 177.78 2jpu s ASN 76 N -6.64 -0.47 0.32 5.81 3.84 -0.77 -5.05 114.94 111.98 2jpu s ASN 76 Ca -0.26 0.66 0.24 0.00 0.21 0.00 0.00 52.86 53.72 2jpu s ASN 76 Cb 0.03 0.59 0.48 0.00 -0.55 0.00 0.00 41.25 41.80 2jpu s ASN 76 CO 0.59 -0.33 1.61 0.00 -2.79 0.00 0.00 177.10 176.19 2jpu h THR 77 N 3.03 0.00 -0.01 -5.21 1.03 -1.83 -3.24 112.91 106.68 2jpu h THR 77 Ca -0.23 -0.79 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 2jpu h THR 77 Cb 1.16 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.97 2jpu h THR 77 CO 0.25 0.00 -0.13 -0.62 -0.01 0.00 0.00 175.52 175.01 2jpu n GLU 78 N -2.72 0.87 -0.09 0.00 1.02 -1.26 -4.30 120.64 114.17 2jpu n GLU 78 Ca 0.04 -0.38 -0.08 0.00 -0.02 0.00 0.00 57.16 56.71 2jpu n GLU 78 Cb 0.49 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.94 0.24 -0.24 -3.67 1.08 -1.88 0.46 117.51 114.44 2jpu h ILE 79 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2jpu h ILE 79 Cb 0.40 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2jpu h ILE 79 CO 0.00 0.00 0.18 1.55 -0.69 0.00 0.00 178.15 179.19 2jpu h PRO 80 N -0.29 0.00 0.00 2.37 0.13 -1.73 0.50 132.00 132.99 2jpu h PRO 80 Ca 0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.12 2jpu h PRO 80 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2jpu h PRO 80 CO -0.49 0.00 -0.78 0.82 -0.23 0.00 0.00 178.00 177.33 2jpu h ILE 81 N 0.00 1.45 0.23 -3.56 2.04 -1.26 -0.96 117.51 115.45 2jpu h ILE 81 Ca 0.12 -2.77 -0.31 0.00 1.00 0.00 0.00 64.86 62.90 2jpu h ILE 81 Cb 0.47 2.54 0.03 0.00 -0.74 0.00 0.00 36.82 39.13 2jpu h ILE 81 CO -0.00 0.76 -1.39 -0.07 0.00 0.00 0.00 178.15 177.45 2jpu h LEU 82 N 0.00 0.77 -1.34 1.44 3.38 0.35 -3.12 115.31 116.79 2jpu h LEU 82 Ca -0.01 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 56.98 2jpu h LEU 82 Cb 1.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2jpu h LEU 82 CO 0.10 1.67 -0.12 -0.25 0.09 0.00 0.00 178.44 179.93 2jpu h TRP 83 N 0.05 0.31 -0.69 1.13 2.91 -1.00 -2.10 115.95 116.56 2jpu h TRP 83 Ca -0.25 -0.04 0.14 0.00 1.13 0.00 0.00 58.89 59.87 2jpu h TRP 83 Cb 2.07 -0.09 -0.10 0.00 -0.51 0.00 0.00 29.16 30.54 2jpu h TRP 83 CO 0.14 0.41 0.20 -0.22 -1.03 0.00 0.00 178.44 177.94 2jpu h LYS 84 N 0.28 0.31 -0.65 2.65 1.63 -1.15 0.12 116.57 119.76 2jpu h LYS 84 Ca 0.06 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2jpu h LYS 84 Cb 0.38 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 2jpu h LYS 84 CO 0.02 0.21 0.42 0.77 -3.45 0.00 0.00 179.45 177.41 2jpu h SER 85 N 0.32 0.75 -0.31 4.20 0.02 -1.32 0.23 113.55 117.45 2jpu h SER 85 Ca 0.38 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2jpu h SER 85 Cb 0.59 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2jpu h SER 85 CO -0.43 0.56 0.03 0.00 -1.14 0.00 0.00 176.83 175.85 2jpu h ALA 86 N 1.22 1.31 -0.11 3.77 0.00 -1.02 -1.99 119.26 122.45 2jpu h ALA 86 Ca 0.23 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2jpu h ALA 86 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jpu h ALA 86 CO -0.05 0.47 -0.68 2.35 0.00 0.00 0.00 179.25 181.35 2jpu h TRP 87 N 0.60 0.59 -0.71 0.00 2.91 -0.24 -3.18 115.95 115.92 2jpu h TRP 87 Ca 0.13 -0.25 0.06 0.00 1.13 0.00 0.00 58.89 59.97 2jpu h TRP 87 Cb 0.33 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.84 2jpu h TRP 87 CO 0.01 0.99 0.47 1.15 -1.03 0.00 0.00 178.44 180.03 2jpu h THR 88 N 0.32 1.02 0.00 2.65 2.02 0.20 0.12 112.91 119.23 2jpu h THR 88 Ca -0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2jpu h THR 88 Cb 1.24 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2jpu h THR 88 CO 0.12 0.13 -0.05 -0.07 0.37 0.00 0.00 175.52 176.02 2jpu h LEU 89 N 0.74 0.00 0.06 2.58 3.38 -1.46 -2.01 115.31 118.61 2jpu h LEU 89 Ca 0.31 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.99 2jpu h LEU 89 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jpu h LEU 89 CO -0.10 0.05 -1.53 0.45 0.09 0.00 0.00 178.44 177.40 2jpu h HIS 90 N 0.00 0.25 0.44 1.13 3.86 -0.89 -2.82 115.15 117.12 2jpu h HIS 90 Ca -0.00 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2jpu h HIS 90 Cb 0.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2jpu h HIS 90 CO 0.00 1.24 -0.21 0.28 0.86 0.00 0.00 177.93 180.10 2jpu h VAL 91 N 0.04 0.37 -0.82 2.45 2.07 -0.81 -3.15 116.25 116.39 2jpu h VAL 91 Ca -0.23 -0.54 -0.55 0.00 0.82 0.00 0.00 66.70 66.20 2jpu h VAL 91 Cb 1.98 0.55 -0.24 0.00 -1.52 0.00 0.00 31.29 32.05 2jpu h VAL 91 CO 0.13 0.07 0.71 -0.62 0.02 0.00 0.00 177.57 177.87 2jpu n GLU 92 N -5.21 2.36 0.00 1.57 -0.58 -0.82 -4.85 120.64 113.12 2jpu n GLU 92 Ca -0.10 -2.67 0.00 0.00 -0.42 0.00 0.00 57.16 53.97 2jpu n GLU 92 Cb 0.29 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 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 -0.50 4.20 5.00 0.62 0.00 -1.06 -4.65 105.19 108.79 2jpu n GLY 93 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jpu n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jpu n PHE 94 N 0.00 0.00 0.00 1.61 7.35 -1.25 -4.42 117.46 120.75 2jpu n PHE 94 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jpu n PHE 94 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2jpu n PHE 94 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2jpu n HIS 95 N 0.00 0.00 -2.06 -5.13 -0.00 -1.26 -4.92 115.22 101.84 2jpu n HIS 95 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2jpu n HIS 95 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2jpu n GLU 96 N -0.37 0.00 -2.57 1.57 2.13 -1.26 -5.07 120.64 115.07 2jpu n GLU 96 Ca 0.00 -0.81 -0.42 0.00 0.66 0.00 0.00 57.16 56.59 2jpu n GLU 96 Cb 0.00 0.19 -0.02 0.00 0.27 0.00 0.00 31.44 31.87 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jpu s LEU 97 N 0.00 3.41 0.19 4.31 2.01 -1.26 -4.87 118.68 122.48 2jpu s LEU 97 Ca 0.04 0.04 0.22 0.00 0.01 0.00 0.00 54.13 54.45 2jpu s LEU 97 Cb 0.05 -3.09 0.90 0.00 0.01 0.00 0.00 46.19 44.06 2jpu s LEU 97 CO -0.02 -1.54 1.66 -0.24 1.01 0.00 0.00 176.35 177.22 2jpu n SER 98 N 8.61 0.52 -0.84 2.29 2.88 -1.26 -4.64 113.62 121.17 2jpu n SER 98 Ca 0.08 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2jpu n SER 98 Cb 0.49 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpu n LEU 99 N -2.06 0.00 -4.03 2.46 4.77 -1.26 -4.90 117.00 111.97 2jpu n LEU 99 Ca 0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 2jpu n LEU 99 Cb 0.23 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 2jpu n LEU 99 CO 0.19 -1.27 -0.42 0.20 -1.33 0.00 0.00 177.39 174.76 2jpu s ASN 100 N -4.00 0.97 0.15 -1.43 -0.87 -1.26 -5.07 114.94 103.43 2jpu s ASN 100 Ca 0.00 -0.29 -0.16 0.00 -1.57 0.00 0.00 52.86 50.84 2jpu s ASN 100 Cb 0.00 -0.06 0.01 0.00 -0.02 0.00 0.00 41.25 41.18 2jpu s ASN 100 CO 0.00 0.00 1.79 -0.08 -2.57 0.00 0.00 177.10 176.24 2jpu h GLU 101 N 5.41 0.56 -0.45 -0.60 4.81 -1.99 -2.73 114.58 119.60 2jpu h GLU 101 Ca -0.32 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2jpu h GLU 101 Cb 1.19 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 2jpu h GLU 101 CO 0.46 0.41 0.02 -0.22 -0.73 0.00 0.00 179.01 178.95 2jpu h LYS 102 N 0.55 0.13 0.00 1.92 3.64 -2.00 0.31 116.57 121.12 2jpu h LYS 102 Ca 0.15 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2jpu h LYS 102 Cb -0.01 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2jpu h LYS 102 CO -0.03 0.09 -0.18 0.93 -2.27 0.00 0.00 179.45 177.99 2jpu h GLU 103 N 0.14 0.00 -0.04 1.90 5.08 -2.01 -3.19 114.58 116.47 2jpu h GLU 103 Ca 0.23 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 2jpu h GLU 103 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jpu h GLU 103 CO -0.36 0.01 -0.76 0.28 -1.00 0.00 0.00 179.01 177.18 2jpu h VAL 104 N 0.00 1.43 0.00 3.13 2.07 -0.84 -3.12 116.25 118.92 2jpu h VAL 104 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 2jpu h VAL 104 Cb 1.01 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2jpu h VAL 104 CO 0.00 0.68 -0.05 0.11 0.02 0.00 0.00 177.57 178.32 2jpu h LYS 105 N 0.18 0.00 -0.94 1.57 1.57 -0.98 -0.47 116.57 117.50 2jpu h LYS 105 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jpu h LYS 105 Cb 1.34 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.60 2jpu h LYS 105 CO 0.12 0.05 0.62 -0.22 -0.57 0.00 0.00 179.45 179.45 2jpu h LYS 106 N 0.00 1.18 -0.53 3.15 3.64 -1.65 -2.37 116.57 120.00 2jpu h LYS 106 Ca -0.00 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2jpu h LYS 106 Cb 0.11 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2jpu h LYS 106 CO 0.01 0.78 0.35 -0.07 -2.27 0.00 0.00 179.45 178.25 2jpu h LEU 107 N 1.22 0.46 -0.76 5.20 -0.00 -1.20 -0.92 115.31 119.31 2jpu h LEU 107 Ca 0.36 -0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.31 2jpu h LEU 107 Cb -0.06 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.44 2jpu h LEU 107 CO -0.10 0.31 0.44 0.50 -0.00 0.00 0.00 178.44 179.60 2jpu h LYS 108 N 0.53 0.78 0.17 1.13 3.64 -1.45 0.18 116.57 121.55 2jpu h LYS 108 Ca 0.22 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.25 2jpu h LYS 108 Cb 0.21 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2jpu h LYS 108 CO -0.06 0.51 -1.44 0.93 -2.27 0.00 0.00 179.45 177.13 2jpu h GLU 109 N 0.80 0.36 -0.34 1.90 5.08 -1.39 -1.78 114.58 119.20 2jpu h GLU 109 Ca 0.34 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2jpu h GLU 109 Cb 0.22 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2jpu h GLU 109 CO -0.19 1.27 0.16 -0.44 -1.00 0.00 0.00 179.01 178.80 2jpu h ASP 110 N 0.10 0.22 -0.20 1.42 5.19 -0.84 0.53 116.42 122.85 2jpu h ASP 110 Ca -0.22 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 2jpu h ASP 110 Cb 2.06 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.53 2jpu h ASP 110 CO 0.21 0.17 -0.26 0.58 -3.12 0.00 0.00 179.24 176.82 2jpu h VAL 111 N 0.33 1.27 -0.82 -1.35 2.07 -0.73 -2.98 116.25 114.05 2jpu h VAL 111 Ca 0.14 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 2jpu h VAL 111 Cb 0.07 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2jpu h VAL 111 CO -0.11 0.45 0.50 -0.09 0.02 0.00 0.00 177.57 178.33 2jpu h ARG 112 N 0.59 1.11 -0.34 1.57 2.43 -0.68 -0.12 114.38 118.94 2jpu h ARG 112 Ca 0.08 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2jpu h ARG 112 Cb 0.75 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2jpu h ARG 112 CO 0.06 0.78 -0.06 0.87 -1.51 0.00 0.00 179.97 180.11 2jpu h LYS 113 N 1.12 0.03 -0.20 0.20 1.57 -0.78 0.15 116.57 118.67 2jpu h LYS 113 Ca 0.29 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2jpu h LYS 113 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jpu h LYS 113 CO -0.06 0.02 0.11 -0.07 -0.57 0.00 0.00 179.45 178.89 2jpu h LEU 114 N 0.03 0.24 0.12 2.94 4.07 -1.18 -1.22 115.31 120.31 2jpu h LEU 114 Ca 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2jpu h LEU 114 Cb 0.25 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2jpu h LEU 114 CO -0.33 0.24 -0.06 0.58 -1.08 0.00 0.00 178.44 177.79 2jpu h VAL 115 N 0.23 0.97 -0.47 1.22 2.07 -0.74 -1.50 116.25 118.03 2jpu h VAL 115 Ca 0.07 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2jpu h VAL 115 Cb 0.04 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2jpu h VAL 115 CO -0.01 0.09 0.31 0.40 0.02 0.00 0.00 177.57 178.38 2jpu h ILE 116 N -0.34 1.01 -0.25 4.57 2.04 -0.96 -0.67 117.51 122.90 2jpu h ILE 116 Ca -0.02 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2jpu h ILE 116 Cb 0.28 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jpu h ILE 116 CO 0.03 0.08 -0.24 -0.26 0.00 0.00 0.00 178.15 177.76 2jpu h PHE 117 N 0.46 0.73 -0.17 1.37 -1.00 -0.81 -0.83 116.94 116.70 2jpu h PHE 117 Ca 0.20 -0.22 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 2jpu h PHE 117 Cb 0.20 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 2jpu h PHE 117 CO -0.00 0.93 -0.24 0.00 -1.61 0.00 0.00 178.31 177.39 2jpu h ALA 118 N 0.68 0.26 -0.39 2.45 0.00 -0.73 -1.38 119.26 120.16 2jpu h ALA 118 Ca 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2jpu h ALA 118 Cb 0.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jpu h ALA 118 CO 0.06 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 2jpu h VAL 119 N 0.10 1.23 -0.00 0.00 2.07 -1.15 0.71 116.25 119.21 2jpu h VAL 119 Ca 0.02 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 2jpu h VAL 119 Cb 0.81 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2jpu h VAL 119 CO 0.06 0.34 -0.54 -1.13 0.02 0.00 0.00 177.57 176.31 2jpu h ASN 120 N 0.60 0.02 0.82 0.57 -0.73 -1.12 -3.02 115.58 112.72 2jpu h ASN 120 Ca 0.12 -0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.10 2jpu h ASN 120 Cb 0.46 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 2jpu h ASN 120 CO 0.02 0.55 -0.85 0.28 -0.37 0.00 0.00 177.43 177.06 2jpu h SER 121 N 0.01 0.03 -0.72 1.15 0.02 -0.21 -3.28 113.55 110.55 2jpu h SER 121 Ca -0.00 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2jpu h SER 121 Cb 0.96 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2jpu h SER 121 CO 0.07 0.87 0.38 -0.07 -1.14 0.00 0.00 176.83 176.94 2jpu h LEU 122 N 0.01 0.53 -6.34 5.07 3.38 -0.76 -2.17 115.31 115.04 2jpu h LEU 122 Ca -0.01 0.05 -0.80 0.00 0.09 0.00 0.00 57.88 57.20 2jpu h LEU 122 Cb 1.51 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.95 2jpu h LEU 122 CO 0.11 0.32 1.17 -0.62 0.09 0.00 0.00 178.44 179.51 2jpu n GLU 123 N -4.81 5.09 -1.46 1.13 1.02 -1.24 -4.99 120.64 115.38 2jpu n GLU 123 Ca 0.11 -4.48 -0.49 0.00 -0.02 0.00 0.00 57.16 52.28 2jpu n GLU 123 Cb 0.24 -2.51 -0.07 0.00 -0.02 0.00 0.00 31.44 29.07 2jpu n GLU 123 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2jpu n HIS 124 N 0.57 1.52 -0.31 -0.32 1.44 -0.82 -4.75 115.22 112.56 2jpu n HIS 124 Ca 0.44 0.27 0.00 0.00 -2.01 0.00 0.00 57.72 56.42 2jpu n HIS 124 Cb 0.28 -2.53 0.01 0.00 0.12 0.00 0.00 29.99 27.86 2jpu n HIS 124 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2jpu n HIS 125 N 10.40 0.00 -1.01 -1.40 1.44 -1.26 -4.56 115.22 118.83 2jpu n HIS 125 Ca 0.42 -0.40 0.04 0.00 -2.01 0.00 0.00 57.72 55.77 2jpu n HIS 125 Cb 0.24 -0.04 0.06 0.00 0.12 0.00 0.00 29.99 30.37 2jpu n HIS 125 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jpu n HIS 126 N -0.43 0.00 -2.20 -1.40 -0.00 -1.26 -5.00 115.22 104.93 2jpu n HIS 126 Ca 0.01 -0.53 -0.37 0.00 -0.00 0.00 0.00 57.72 56.82 2jpu n HIS 126 Cb 0.33 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.99 30.20 2jpu n HIS 126 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jpu s HIS 127 N -1.43 1.89 0.00 1.57 5.04 -1.26 -3.12 115.29 117.99 2jpu s HIS 127 Ca 0.13 0.44 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 2jpu s HIS 127 Cb 0.12 -4.26 0.00 0.00 0.04 0.00 0.00 32.58 28.48 2jpu s HIS 127 CO 0.01 -2.14 0.00 1.58 -2.34 0.00 0.00 174.74 171.85 2jpu n HIS 128 N 11.86 0.00 -1.65 3.88 -0.00 -1.26 -5.19 115.22 122.86 2jpu n HIS 128 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 2jpu n HIS 128 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2jpu n HIS 128 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06