#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu s SER 2 N 0.00 3.51 0.00 3.17 0.01 -1.26 -5.09 113.70 114.04 2jpu s SER 2 Ca 0.00 -2.73 0.04 0.00 1.31 0.00 0.00 55.95 54.57 2jpu s SER 2 Cb 0.00 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 2jpu s SER 2 CO 0.00 -0.25 -0.12 0.27 0.41 0.00 0.00 173.24 173.55 2jpu s ILE 3 N 0.23 0.97 -0.67 1.44 -4.36 -1.26 -4.83 121.20 112.72 2jpu s ILE 3 Ca 0.20 -0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 59.85 2jpu s ILE 3 Cb -0.20 -0.83 0.02 0.00 1.25 0.00 0.00 42.46 42.70 2jpu s ILE 3 CO -0.03 0.21 0.64 -1.20 0.24 0.00 0.00 174.94 174.80 2jpu n SER 4 N 2.60 -5.76 -4.78 4.36 7.64 -1.26 -4.93 113.62 111.49 2jpu n SER 4 Ca -0.15 -0.47 -0.32 0.00 1.01 0.00 0.00 58.87 58.94 2jpu n SER 4 Cb 0.56 -2.55 0.06 0.00 -1.01 0.00 0.00 64.21 61.26 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jpu s THR 5 N -2.53 3.47 0.31 0.44 -4.23 -1.26 -4.76 115.64 107.07 2jpu s THR 5 Ca 0.13 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2jpu s THR 5 Cb -0.02 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.99 2jpu s THR 5 CO 0.86 -0.52 1.82 0.28 -0.54 0.00 0.00 174.62 176.52 2jpu h SER 6 N -0.38 0.81 0.14 3.99 0.02 -1.99 0.29 113.55 116.44 2jpu h SER 6 Ca -0.45 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2jpu h SER 6 Cb 1.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2jpu h SER 6 CO 0.54 0.37 -0.12 0.00 -1.14 0.00 0.00 176.83 176.48 2jpu h ALA 7 N 1.59 -0.25 -0.96 3.77 0.00 -1.91 0.61 119.26 122.11 2jpu h ALA 7 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2jpu h ALA 7 Cb 0.72 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2jpu h ALA 7 CO -0.30 -0.66 0.62 0.93 0.00 0.00 0.00 179.25 179.84 2jpu h GLU 8 N -0.28 1.28 0.40 0.00 4.39 -1.62 -0.69 114.58 118.06 2jpu h GLU 8 Ca 0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2jpu h GLU 8 Cb 0.26 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2jpu h GLU 8 CO -0.02 0.86 -0.19 0.28 -1.16 0.00 0.00 179.01 178.78 2jpu h VAL 9 N 1.31 0.60 -0.68 3.13 2.07 -0.53 -0.18 116.25 121.97 2jpu h VAL 9 Ca 0.35 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2jpu h VAL 9 Cb -0.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2jpu h VAL 9 CO -0.07 0.06 0.24 1.88 0.02 0.00 0.00 177.57 179.69 2jpu h TYR 10 N -0.72 1.05 -0.59 1.57 0.05 -0.81 -0.16 116.97 117.35 2jpu h TYR 10 Ca -0.05 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.56 2jpu h TYR 10 Cb 0.51 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2jpu h TYR 10 CO -0.01 0.82 0.04 -0.92 -1.05 0.00 0.00 178.16 177.04 2jpu h TYR 11 N 0.99 1.07 -0.28 4.88 3.20 -1.09 -1.28 116.97 124.47 2jpu h TYR 11 Ca 0.23 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2jpu h TYR 11 Cb 0.24 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2jpu h TYR 11 CO 0.02 0.93 -0.09 1.49 -1.64 0.00 0.00 178.16 178.87 2jpu h GLU 12 N 0.92 0.55 -0.63 1.82 4.81 -0.50 -2.21 114.58 119.35 2jpu h GLU 12 Ca 0.17 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2jpu h GLU 12 Cb 0.49 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2jpu h GLU 12 CO 0.02 0.77 0.42 0.93 -0.73 0.00 0.00 179.01 180.42 2jpu h GLU 13 N 0.30 0.83 -0.59 1.92 5.08 -0.86 0.42 114.58 121.67 2jpu h GLU 13 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2jpu h GLU 13 Cb 0.58 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2jpu h GLU 13 CO 0.03 0.55 0.38 0.00 -1.00 0.00 0.00 179.01 178.97 2jpu h ALA 14 N 1.61 0.75 -0.41 3.43 0.00 -1.02 0.88 119.26 124.49 2jpu h ALA 14 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jpu h ALA 14 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2jpu h ALA 14 CO -0.05 0.15 -0.10 0.93 0.00 0.00 0.00 179.25 180.18 2jpu h GLU 15 N 0.76 0.73 0.03 0.00 4.39 -0.53 0.36 114.58 120.33 2jpu h GLU 15 Ca 0.22 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jpu h GLU 15 Cb -0.05 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2jpu h GLU 15 CO -0.06 0.81 -0.02 0.93 -1.16 0.00 0.00 179.01 179.51 2jpu h GLU 16 N 0.67 -0.04 -0.02 2.33 4.39 0.48 -1.44 114.58 120.95 2jpu h GLU 16 Ca 0.12 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 2jpu h GLU 16 Cb 0.56 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2jpu h GLU 16 CO 0.03 0.03 -0.51 0.74 -1.16 0.00 0.00 179.01 178.14 2jpu h PHE 17 N -0.10 0.06 -0.26 4.33 0.04 -0.74 -2.08 116.94 118.18 2jpu h PHE 17 Ca -0.00 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 2jpu h PHE 17 Cb 0.09 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2jpu h PHE 17 CO -0.06 0.54 -0.08 1.25 -0.60 0.00 0.00 178.31 179.37 2jpu h LEU 18 N 0.04 0.39 -0.30 1.54 5.85 -0.70 0.57 115.31 122.69 2jpu h LEU 18 Ca -0.00 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2jpu h LEU 18 Cb 0.91 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2jpu h LEU 18 CO 0.07 0.51 -0.41 0.28 -0.34 0.00 0.00 178.44 178.55 2jpu h SER 19 N 0.39 0.00 1.35 1.25 0.02 -0.83 -2.72 113.55 113.00 2jpu h SER 19 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2jpu h SER 19 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jpu h SER 19 CO 0.02 0.41 -0.25 0.50 -1.14 0.00 0.00 176.83 176.37 2jpu h LYS 20 N 0.00 0.00 0.00 3.45 1.63 -0.63 -3.47 116.57 117.55 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 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2jpu h LYS 20 CO 0.05 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.71 2jpu n GLY 21 N 0.69 1.21 3.24 5.01 0.00 -0.12 -5.07 105.19 110.15 2jpu n GLY 21 Ca 0.02 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.42 4.78 0.17 1.61 -1.08 0.00 -4.96 116.67 114.78 2jpu s ASP 22 Ca 0.00 -0.97 0.19 0.00 -0.52 0.00 0.00 52.55 51.25 2jpu s ASP 22 Cb 0.00 -1.75 -0.02 0.00 -1.46 0.00 0.00 42.92 39.68 2jpu s ASP 22 CO 0.00 -0.20 1.04 -0.07 0.52 0.00 0.00 175.17 176.46 2jpu h LEU 23 N 8.09 0.00 0.33 -1.34 3.38 -1.93 -3.23 115.31 120.60 2jpu h LEU 23 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jpu h LEU 23 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jpu h LEU 23 CO 0.57 0.32 -0.16 0.58 0.09 0.00 0.00 178.44 179.84 2jpu h VAL 24 N 0.00 0.47 -0.13 1.22 2.07 -1.93 -2.16 116.25 115.79 2jpu h VAL 24 Ca -0.07 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 2jpu h VAL 24 Cb 1.30 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2jpu h VAL 24 CO 0.03 0.10 -0.57 1.56 0.02 0.00 0.00 177.57 178.71 2jpu h GLN 25 N -0.96 0.41 -0.55 1.57 4.20 -1.91 -2.91 115.11 114.96 2jpu h GLN 25 Ca -0.05 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 2jpu h GLN 25 Cb 0.51 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2jpu h GLN 25 CO 0.07 0.87 0.15 0.00 -0.67 0.00 0.00 178.83 179.25 2jpu h ALA 26 N 1.08 1.24 -0.71 3.87 0.00 -1.63 -2.44 119.26 120.67 2jpu h ALA 26 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jpu h ALA 26 Cb 1.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jpu h ALA 26 CO 0.10 0.53 0.41 0.00 0.00 0.00 0.00 179.25 180.29 2jpu h GLU 28 N 0.96 0.30 0.39 0.00 4.81 -1.43 -2.43 114.58 117.19 2jpu h GLU 28 Ca 0.25 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2jpu h GLU 28 Cb -0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jpu h GLU 28 CO -0.04 0.58 -0.19 0.87 -0.73 0.00 0.00 179.01 179.49 2jpu h LYS 29 N 0.27 -0.51 0.00 1.92 1.79 -0.91 -1.47 116.57 117.66 2jpu h LYS 29 Ca 0.04 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2jpu h LYS 29 Cb 0.66 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2jpu h LYS 29 CO 0.05 -0.20 0.00 0.10 -1.08 0.00 0.00 179.45 178.32 2jpu h TYR 30 N -0.83 0.00 0.11 -1.35 -0.00 -1.52 -2.16 116.97 111.23 2jpu h TYR 30 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.67 2jpu h TYR 30 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.27 2jpu h TYR 30 CO 0.01 0.00 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.20 2jpu h TYR 31 N 0.00 -0.14 0.00 0.10 3.20 -1.29 -3.04 116.97 115.80 2jpu h TYR 31 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2jpu h TYR 31 Cb 0.55 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2jpu h TYR 31 CO 0.00 0.17 -0.24 0.87 -1.64 0.00 0.00 178.16 177.32 2jpu h LYS 32 N -0.47 0.00 -0.48 1.82 1.57 -0.95 -1.20 116.57 116.85 2jpu h LYS 32 Ca -0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jpu h LYS 32 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2jpu h LYS 32 CO 0.03 0.24 0.32 0.00 -0.57 0.00 0.00 179.45 179.47 2jpu h ALA 33 N 1.76 1.67 -0.21 3.86 0.00 -1.36 -2.39 119.26 122.59 2jpu h ALA 33 Ca -0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2jpu h ALA 33 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jpu h ALA 33 CO 0.03 0.30 -0.63 0.00 0.00 0.00 0.00 179.25 178.95 2jpu h ALA 34 N 1.70 0.48 -0.31 0.00 0.00 -1.10 -2.52 119.26 117.50 2jpu h ALA 34 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jpu h ALA 34 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jpu h ALA 34 CO -0.04 0.69 0.17 0.93 0.00 0.00 0.00 179.25 181.00 2jpu h GLU 35 N 0.56 0.43 -0.35 0.00 5.08 -1.26 -1.93 114.58 117.11 2jpu h GLU 35 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jpu h GLU 35 Cb 1.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2jpu h GLU 35 CO 0.13 0.37 0.19 0.93 -1.00 0.00 0.00 179.01 179.63 2jpu h GLU 36 N 0.38 0.48 -0.37 2.33 4.39 -1.47 -2.64 114.58 117.68 2jpu h GLU 36 Ca 0.11 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2jpu h GLU 36 Cb 0.06 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2jpu h GLU 36 CO -0.02 0.40 0.22 0.00 -1.16 0.00 0.00 179.01 178.46 2jpu h ALA 37 N 1.06 0.46 -0.70 3.43 0.00 -1.19 -0.31 119.26 122.01 2jpu h ALA 37 Ca 0.12 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2jpu h ALA 37 Cb 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2jpu h ALA 37 CO -0.02 -0.11 0.40 0.82 0.00 0.00 0.00 179.25 180.34 2jpu h ILE 38 N 0.46 0.99 -0.21 0.00 1.08 -1.29 -1.59 117.51 116.94 2jpu h ILE 38 Ca 0.14 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2jpu h ILE 38 Cb -0.01 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 2jpu h ILE 38 CO -0.06 0.14 0.09 0.50 -0.69 0.00 0.00 178.15 178.14 2jpu h LYS 39 N 0.75 0.20 -0.43 2.37 3.64 -0.99 -2.35 116.57 119.75 2jpu h LYS 39 Ca 0.31 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2jpu h LYS 39 Cb 0.17 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 2jpu h LYS 39 CO -0.18 0.13 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.06 2jpu h LEU 40 N 0.21 -0.19 -0.59 5.20 4.07 -0.38 -1.26 115.31 122.37 2jpu h LEU 40 Ca 0.09 0.10 0.06 0.00 0.08 0.00 0.00 57.88 58.21 2jpu h LEU 40 Cb 0.03 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 2jpu h LEU 40 CO -0.07 -0.06 0.30 -0.07 -1.08 0.00 0.00 178.44 177.47 2jpu h LEU 41 N 0.10 0.43 -0.81 1.67 4.07 -1.00 -2.42 115.31 117.36 2jpu h LEU 41 Ca 0.21 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 2jpu h LEU 41 Cb 0.31 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2jpu h LEU 41 CO -0.36 0.28 -0.16 0.58 -1.08 0.00 0.00 178.44 177.71 2jpu h VAL 42 N 0.57 1.26 0.07 1.22 2.07 -0.89 -2.52 116.25 118.04 2jpu h VAL 42 Ca 0.27 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2jpu h VAL 42 Cb 0.19 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jpu h VAL 42 CO -0.19 0.41 -0.04 0.40 0.02 0.00 0.00 177.57 178.18 2jpu h ILE 43 N 0.65 1.19 0.00 4.57 2.04 -0.79 -0.26 117.51 124.91 2jpu h ILE 43 Ca 0.10 -1.03 -0.19 0.00 1.00 0.00 0.00 64.86 64.74 2jpu h ILE 43 Cb 0.63 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2jpu h ILE 43 CO 0.04 0.25 -0.88 1.05 0.00 0.00 0.00 178.15 178.61 2jpu h GLU 44 N -0.58 0.00 0.00 2.37 4.11 -1.51 -2.72 114.58 116.26 2jpu h GLU 44 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jpu h GLU 44 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jpu h GLU 44 CO 0.02 0.88 -0.20 -0.91 0.07 0.00 0.00 179.01 178.86 2jpu h ASN 45 N 0.00 0.00 -5.35 3.06 2.35 -1.55 -3.49 115.58 110.61 2jpu h ASN 45 Ca -0.01 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2jpu h ASN 45 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 2jpu h ASN 45 CO 0.11 0.02 -0.47 -3.20 -1.65 0.00 0.00 177.43 172.25 2jpu n ASN 46 N -2.47 -7.84 -4.53 5.81 2.85 -0.15 -4.89 115.26 104.02 2jpu n ASN 46 Ca 0.04 0.43 -0.42 0.00 -0.11 0.00 0.00 54.58 54.52 2jpu n ASN 46 Cb 0.47 -5.24 -0.02 0.00 1.24 0.00 0.00 39.78 36.22 2jpu n ASN 46 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2jpu s LEU 47 N -2.79 3.99 0.41 1.20 1.43 -0.92 -4.83 118.68 117.16 2jpu s LEU 47 Ca 0.22 -1.88 0.10 0.00 -1.03 0.00 0.00 54.13 51.54 2jpu s LEU 47 Cb -0.06 -2.53 0.88 0.00 0.03 0.00 0.00 46.19 44.52 2jpu s LEU 47 CO 0.77 -1.30 1.99 0.50 0.23 0.00 0.00 176.35 178.54 2jpu h LYS 48 N 8.97 0.27 0.00 1.70 3.64 -1.90 0.11 116.57 129.35 2jpu h LYS 48 Ca 0.25 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2jpu h LYS 48 Cb 0.98 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2jpu h LYS 48 CO 1.36 0.31 -0.11 1.49 -2.27 0.00 0.00 179.45 180.22 2jpu h GLU 49 N 0.26 0.00 0.02 1.90 4.81 -2.01 -2.52 114.58 117.04 2jpu h GLU 49 Ca 0.06 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.96 2jpu h GLU 49 Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2jpu h GLU 49 CO 0.01 0.11 -1.86 -0.89 -0.73 0.00 0.00 179.01 175.64 2jpu n ILE 50 N -4.08 1.58 -0.20 2.32 2.08 -0.21 -4.37 119.36 116.48 2jpu n ILE 50 Ca -0.02 -0.29 0.06 0.00 0.56 0.00 0.00 62.75 63.05 2jpu n ILE 50 Cb 0.20 -1.88 0.33 0.00 -0.75 0.00 0.00 39.64 37.54 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 -0.71 1.03 0.00 1.39 1.35 -0.78 0.50 112.91 115.69 2jpu h THR 51 Ca -0.48 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 2jpu h THR 51 Cb 1.58 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2jpu h THR 51 CO -0.20 0.15 -0.17 -0.55 -0.25 0.00 0.00 175.52 174.49 2jpu h ASN 52 N 0.80 0.00 1.33 5.36 7.08 -1.68 -2.06 115.58 126.41 2jpu h ASN 52 Ca 0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 2jpu h ASN 52 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2jpu h ASN 52 CO -0.11 0.17 -0.43 0.78 -2.08 0.00 0.00 177.43 175.76 2jpu h ASN 53 N 0.00 0.00 0.79 6.14 2.35 -1.11 -3.20 115.58 120.55 2jpu h ASN 53 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2jpu h ASN 53 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2jpu h ASN 53 CO 0.02 0.03 -0.25 0.52 -1.65 0.00 0.00 177.43 176.10 2jpu n VAL 54 N -2.56 0.04 0.30 2.81 0.31 -0.79 -3.68 118.33 114.76 2jpu n VAL 54 Ca 0.03 -0.03 0.17 0.00 -0.01 0.00 0.00 64.34 64.51 2jpu n VAL 54 Cb 0.49 -0.16 0.91 0.00 -0.91 0.00 0.00 33.84 34.17 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 -0.24 5.55 3.64 -1.52 -1.56 116.57 122.44 2jpu h LYS 55 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2jpu h LYS 55 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jpu h LYS 55 CO 0.00 0.04 -0.39 -0.97 -2.27 0.00 0.00 179.45 175.86 2jpu h ASN 56 N 0.00 0.58 -2.74 4.20 -1.24 -1.80 -3.44 115.58 111.15 2jpu h ASN 56 Ca -0.00 -0.25 -0.47 0.00 0.71 0.00 0.00 56.30 56.28 2jpu h ASN 56 Cb 0.23 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.12 2jpu h ASN 56 CO 0.01 0.92 -0.20 -0.54 -1.29 0.00 0.00 177.43 176.32 2jpu s LYS 57 N -4.26 3.45 0.01 6.67 -0.14 -0.59 -5.00 119.74 119.88 2jpu s LYS 57 Ca -0.07 -0.38 0.23 0.00 -1.36 0.00 0.00 55.97 54.39 2jpu s LYS 57 Cb 0.12 -2.67 0.17 0.00 -1.68 0.00 0.00 37.83 33.78 2jpu s LYS 57 CO 0.82 0.14 1.17 0.41 -0.76 0.00 0.00 175.35 177.14 2jpu n GLY 58 N -1.78 -1.16 3.36 -3.33 0.00 -1.26 -4.96 105.19 96.07 2jpu n GLY 58 Ca -0.05 -0.45 -0.11 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 -3.03 1.12 0.67 1.61 3.52 -1.26 -5.16 118.95 116.42 2jpu s ARG 59 Ca 0.09 -0.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.96 2jpu s ARG 59 Cb 0.16 0.50 0.01 0.00 -1.56 0.00 0.00 34.95 34.07 2jpu s ARG 59 CO 0.78 -0.45 1.18 -1.58 -0.81 0.00 0.00 175.30 174.41 2jpu s TRP 60 N -3.56 2.30 0.15 5.12 0.52 -1.26 -5.05 118.94 117.15 2jpu s TRP 60 Ca 0.01 1.56 0.11 0.00 0.02 0.00 0.00 56.10 57.80 2jpu s TRP 60 Cb 0.01 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 2jpu s TRP 60 CO -0.11 -2.24 -0.26 0.21 0.02 0.00 0.00 176.95 174.58 2jpu s LYS 61 N -3.79 1.45 0.27 4.98 2.20 -1.26 -5.03 119.74 118.55 2jpu s LYS 61 Ca 0.73 -1.39 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2jpu s LYS 61 Cb -0.27 -1.89 0.48 0.00 -1.51 0.00 0.00 37.83 34.64 2jpu s LYS 61 CO 0.40 0.44 1.83 0.66 -0.36 0.00 0.00 175.35 178.32 2jpu h SER 62 N 3.68 0.84 -0.64 1.43 4.64 -1.99 0.13 113.55 121.65 2jpu h SER 62 Ca -0.50 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2jpu h SER 62 Cb 1.18 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 2jpu h SER 62 CO 0.42 0.47 0.33 -0.08 -0.87 0.00 0.00 176.83 177.10 2jpu h GLU 63 N 0.94 0.93 0.00 4.77 4.57 -1.99 -1.82 114.58 121.98 2jpu h GLU 63 Ca 0.45 -0.12 -0.18 0.00 -1.18 0.00 0.00 59.36 58.34 2jpu h GLU 63 Cb 0.41 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2jpu h GLU 63 CO -0.25 0.71 -0.82 -0.97 -1.18 0.00 0.00 179.01 176.50 2jpu h ASN 64 N 0.93 0.05 -0.61 1.04 -0.73 -1.43 -2.18 115.58 112.65 2jpu h ASN 64 Ca 0.23 -0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 2jpu h ASN 64 Cb 0.08 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 2jpu h ASN 64 CO -0.03 0.85 0.14 -0.07 -0.37 0.00 0.00 177.43 177.95 2jpu h LEU 65 N 0.02 0.95 -0.78 0.34 3.38 -0.33 -1.62 115.31 117.28 2jpu h LEU 65 Ca -0.02 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2jpu h LEU 65 Cb 1.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2jpu h LEU 65 CO 0.11 0.93 -0.46 0.15 0.09 0.00 0.00 178.44 179.26 2jpu h PHE 66 N 0.96 0.00 -0.17 1.13 3.57 -1.21 -2.76 116.94 118.46 2jpu h PHE 66 Ca 0.20 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 2jpu h PHE 66 Cb 0.36 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2jpu h PHE 66 CO 0.02 0.46 -0.17 -0.22 -2.23 0.00 0.00 178.31 176.17 2jpu h LYS 67 N 0.00 0.42 -0.34 1.11 1.63 -0.72 -1.67 116.57 117.00 2jpu h LYS 67 Ca -0.00 -0.22 -0.15 0.00 -0.85 0.00 0.00 60.65 59.42 2jpu h LYS 67 Cb 1.01 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 2jpu h LYS 67 CO 0.06 0.79 -0.39 0.00 -3.45 0.00 0.00 179.45 176.45 2jpu h ALA 68 N 0.63 0.66 0.00 5.00 0.00 -1.32 -2.97 119.26 121.26 2jpu h ALA 68 Ca 0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2jpu h ALA 68 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jpu h ALA 68 CO 0.04 0.67 -0.37 0.66 0.00 0.00 0.00 179.25 180.25 2jpu h SER 69 N 0.67 0.00 -0.77 0.00 4.64 -1.53 -2.95 113.55 113.62 2jpu h SER 69 Ca 0.06 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.47 2jpu h SER 69 Cb 0.96 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.97 2jpu h SER 69 CO 0.09 0.37 0.41 0.50 -0.87 0.00 0.00 176.83 177.33 2jpu h LYS 70 N 0.00 0.66 0.00 4.77 3.11 -1.13 -3.06 116.57 120.92 2jpu h LYS 70 Ca -0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2jpu h LYS 70 Cb 0.95 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2jpu h LYS 70 CO 0.05 0.43 0.00 1.28 -2.81 0.00 0.00 179.45 178.40 2jpu n LEU 71 N -4.82 0.00 0.00 5.20 4.77 -1.11 -4.50 117.00 116.54 2jpu n LEU 71 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2jpu n LEU 71 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2jpu n LEU 71 CO 0.25 -0.03 0.00 0.18 -1.33 0.00 0.00 177.39 176.47 2jpu n LEU 72 N 0.00 0.66 0.23 2.23 4.77 -1.26 -4.55 117.00 119.08 2jpu n LEU 72 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2jpu n LEU 72 Cb 0.00 -1.25 0.53 0.00 -2.33 0.00 0.00 43.42 40.37 2jpu n LEU 72 CO 0.00 -0.43 0.85 -0.09 -1.33 0.00 0.00 177.39 176.38 2jpu h ARG 73 N 0.80 0.00 -0.29 3.23 1.12 -1.79 -2.27 114.38 115.18 2jpu h ARG 73 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.96 2jpu h ARG 73 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 2jpu h ARG 73 CO 0.00 0.20 0.22 0.77 -3.11 0.00 0.00 179.97 178.05 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 0.02 -1.96 -3.19 113.55 104.62 2jpu h SER 74 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2jpu h SER 74 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2jpu h SER 74 CO 0.03 0.00 -1.13 -3.20 -1.14 0.00 0.00 176.83 171.39 2jpu n ASN 75 N -4.35 1.91 -3.69 3.07 2.85 -0.94 -5.00 115.26 109.11 2jpu n ASN 75 Ca 0.04 0.40 -0.17 0.00 -0.11 0.00 0.00 54.58 54.73 2jpu n ASN 75 Cb 0.39 -0.79 -0.16 0.00 1.24 0.00 0.00 39.78 40.46 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jpu s ASN 76 N -6.13 0.69 0.17 1.20 2.47 -0.90 -5.01 114.94 107.43 2jpu s ASN 76 Ca -0.28 0.20 0.23 0.00 0.42 0.00 0.00 52.86 53.44 2jpu s ASN 76 Cb 0.05 0.07 0.90 0.00 -1.45 0.00 0.00 41.25 40.82 2jpu s ASN 76 CO 0.40 -0.22 1.71 0.41 -3.72 0.00 0.00 177.10 175.68 2jpu n THR 77 N 5.02 0.71 0.20 -5.21 -1.04 -1.25 -2.73 114.28 109.98 2jpu n THR 77 Ca -0.10 0.08 0.05 0.00 -2.04 0.00 0.00 64.05 62.04 2jpu n THR 77 Cb 0.50 -0.91 0.42 0.00 -1.82 0.00 0.00 70.33 68.52 2jpu n THR 77 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jpu h GLU 78 N 0.00 0.00 0.33 -2.82 5.08 -1.93 -3.33 114.58 111.91 2jpu h GLU 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jpu h GLU 78 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2jpu h GLU 78 CO 0.00 0.33 -0.36 0.82 -1.00 0.00 0.00 179.01 178.80 2jpu h ILE 79 N 0.00 0.26 -0.41 3.13 2.04 -1.86 0.27 117.51 120.94 2jpu h ILE 79 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2jpu h ILE 79 Cb 0.68 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2jpu h ILE 79 CO 0.04 0.00 0.28 1.55 0.00 0.00 0.00 178.15 180.03 2jpu h PRO 80 N -0.73 0.23 -0.25 2.37 0.13 -1.64 -2.14 132.00 129.97 2jpu h PRO 80 Ca -0.02 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.90 2jpu h PRO 80 Cb 0.67 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2jpu h PRO 80 CO -0.08 0.15 -0.61 0.82 -0.23 0.00 0.00 178.00 178.05 2jpu h ILE 81 N 0.24 1.27 -0.48 -3.56 2.04 -1.36 -0.30 117.51 115.37 2jpu h ILE 81 Ca 0.19 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.26 2jpu h ILE 81 Cb 0.43 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2jpu h ILE 81 CO -0.04 0.58 0.31 -0.07 0.00 0.00 0.00 178.15 178.94 2jpu h LEU 82 N 0.63 0.54 -0.77 1.44 3.38 0.13 -1.82 115.31 118.84 2jpu h LEU 82 Ca -0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2jpu h LEU 82 Cb 1.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jpu h LEU 82 CO 0.13 0.39 -0.47 -0.25 0.09 0.00 0.00 178.44 178.34 2jpu h TRP 83 N 0.64 0.41 -0.77 1.13 2.91 -1.42 -2.96 115.95 115.89 2jpu h TRP 83 Ca 0.18 -0.13 0.09 0.00 1.13 0.00 0.00 58.89 60.16 2jpu h TRP 83 Cb -0.06 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 28.44 2jpu h TRP 83 CO -0.05 0.75 0.43 -0.22 -1.03 0.00 0.00 178.44 178.32 2jpu h LYS 84 N 0.28 0.71 -0.51 2.65 3.64 -0.29 0.63 116.57 123.68 2jpu h LYS 84 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2jpu h LYS 84 Cb 0.93 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jpu h LYS 84 CO 0.08 0.47 0.26 0.77 -2.27 0.00 0.00 179.45 178.75 2jpu h SER 85 N 0.73 0.65 -0.31 4.20 0.02 -1.20 -0.27 113.55 117.37 2jpu h SER 85 Ca 0.37 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 2jpu h SER 85 Cb 0.34 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jpu h SER 85 CO -0.24 0.58 -0.32 0.00 -1.14 0.00 0.00 176.83 175.72 2jpu h ALA 86 N 1.09 0.72 -0.30 3.77 0.00 -1.20 -2.73 119.26 120.62 2jpu h ALA 86 Ca 0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jpu h ALA 86 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jpu h ALA 86 CO -0.02 0.66 0.10 2.35 0.00 0.00 0.00 179.25 182.33 2jpu h TRP 87 N 0.71 0.41 -0.48 0.00 2.91 0.48 -2.20 115.95 117.78 2jpu h TRP 87 Ca 0.08 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.14 2jpu h TRP 87 Cb 0.87 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.34 2jpu h TRP 87 CO 0.05 0.35 0.20 1.15 -1.03 0.00 0.00 178.44 179.16 2jpu h THR 88 N 0.42 0.89 -0.36 2.65 2.02 -0.72 0.12 112.91 117.93 2jpu h THR 88 Ca 0.10 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2jpu h THR 88 Cb 0.12 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2jpu h THR 88 CO -0.01 0.07 -0.10 -0.07 0.37 0.00 0.00 175.52 175.78 2jpu h LEU 89 N 0.40 0.60 -0.70 2.58 3.38 -1.40 -2.34 115.31 117.83 2jpu h LEU 89 Ca 0.22 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2jpu h LEU 89 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2jpu h LEU 89 CO -0.20 0.74 -0.19 -0.74 0.09 0.00 0.00 178.44 178.13 2jpu h HIS 90 N 0.57 0.89 -0.15 1.13 2.76 -0.83 -3.05 115.15 116.47 2jpu h HIS 90 Ca 0.10 -0.19 -0.14 0.00 -2.20 0.00 0.00 60.37 57.94 2jpu h HIS 90 Cb 0.51 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2jpu h HIS 90 CO 0.02 0.92 -0.46 0.28 -1.30 0.00 0.00 177.93 177.39 2jpu h VAL 91 N 0.70 1.35 -0.69 5.26 2.07 -0.74 -3.23 116.25 120.97 2jpu h VAL 91 Ca 0.10 -1.74 -0.44 0.00 0.82 0.00 0.00 66.70 65.44 2jpu h VAL 91 Cb 0.70 2.04 -0.20 0.00 -1.52 0.00 0.00 31.29 32.31 2jpu h VAL 91 CO 0.05 0.53 0.57 -1.84 0.02 0.00 0.00 177.57 176.90 2jpu n GLU 92 N -4.23 2.08 -2.06 1.57 0.28 -0.91 -4.81 120.64 112.56 2jpu n GLU 92 Ca -0.07 -2.21 -0.34 0.00 -0.16 0.00 0.00 57.16 54.38 2jpu n GLU 92 Cb 0.57 -1.87 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jpu n GLY 93 N -0.28 1.75 1.41 -1.84 0.00 -1.16 -4.76 105.19 100.31 2jpu n GLY 93 Ca 0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 2jpu n GLY 93 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jpu n PHE 94 N 11.69 0.36 -2.18 1.61 3.72 -1.26 -4.81 117.46 126.58 2jpu n PHE 94 Ca 0.47 -0.99 -0.03 0.00 -0.05 0.00 0.00 57.45 56.85 2jpu n PHE 94 Cb 0.45 -0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 2jpu n PHE 94 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jpu n HIS 95 N 0.85 -2.66 -0.74 1.38 -0.00 -1.26 -4.96 115.22 107.84 2jpu n HIS 95 Ca 0.07 1.45 0.00 0.00 -0.00 0.00 0.00 57.72 59.24 2jpu n HIS 95 Cb 0.57 -3.00 0.00 0.00 -0.00 0.00 0.00 29.99 27.56 2jpu n HIS 95 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2jpu n GLU 96 N 0.86 -2.08 -2.55 1.57 4.71 -1.26 -4.81 120.64 117.08 2jpu n GLU 96 Ca -0.19 1.51 -0.41 0.00 -0.01 0.00 0.00 57.16 58.06 2jpu n GLU 96 Cb 0.29 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2jpu s LEU 97 N -1.59 3.36 -0.50 -4.62 2.01 -1.26 -4.85 118.68 111.23 2jpu s LEU 97 Ca 0.00 -1.03 -0.04 0.00 0.01 0.00 0.00 54.13 53.08 2jpu s LEU 97 Cb 0.00 -2.57 0.10 0.00 0.01 0.00 0.00 46.19 43.73 2jpu s LEU 97 CO 0.00 -1.66 2.68 -1.20 1.01 0.00 0.00 176.35 177.18 2jpu n SER 98 N 9.15 6.59 -5.00 2.29 7.64 -1.26 -4.27 113.62 128.76 2jpu n SER 98 Ca 0.21 -3.28 -0.18 0.00 1.01 0.00 0.00 58.87 56.63 2jpu n SER 98 Cb 0.50 -1.21 0.01 0.00 -1.01 0.00 0.00 64.21 62.50 2jpu n SER 98 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jpu s LEU 99 N -2.39 3.72 0.57 -3.43 1.43 -1.26 -5.13 118.68 112.19 2jpu s LEU 99 Ca 0.58 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 2jpu s LEU 99 Cb 0.39 -2.75 0.08 0.00 0.03 0.00 0.00 46.19 43.95 2jpu s LEU 99 CO -0.24 -0.70 0.78 0.20 0.23 0.00 0.00 176.35 176.62 2jpu s ASN 100 N -4.29 5.09 0.50 2.29 -0.87 -1.26 -4.95 114.94 111.45 2jpu s ASN 100 Ca 0.52 -0.86 0.26 0.00 -1.57 0.00 0.00 52.86 51.21 2jpu s ASN 100 Cb -0.10 0.29 1.30 0.00 -0.02 0.00 0.00 41.25 42.72 2jpu s ASN 100 CO 0.33 -1.33 2.01 -0.33 -2.57 0.00 0.00 177.10 175.22 2jpu h GLU 101 N 0.20 0.00 -0.45 -0.60 5.08 -2.00 -3.17 114.58 113.64 2jpu h GLU 101 Ca -0.30 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2jpu h GLU 101 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2jpu h GLU 101 CO 0.41 0.16 0.19 -0.22 -1.00 0.00 0.00 179.01 178.55 2jpu h LYS 102 N 0.00 0.38 -0.19 2.33 3.64 -2.00 0.26 116.57 120.99 2jpu h LYS 102 Ca -0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 2jpu h LYS 102 Cb 0.43 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jpu h LYS 102 CO 0.02 0.25 -0.58 0.93 -2.27 0.00 0.00 179.45 177.80 2jpu h GLU 103 N 0.39 0.61 0.09 1.90 4.39 -1.97 -2.83 114.58 117.16 2jpu h GLU 103 Ca 0.20 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2jpu h GLU 103 Cb 0.16 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2jpu h GLU 103 CO -0.18 1.01 -0.04 0.28 -1.16 0.00 0.00 179.01 178.92 2jpu h VAL 104 N 0.46 0.91 -0.75 3.13 2.07 -1.31 0.15 116.25 120.92 2jpu h VAL 104 Ca 0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jpu h VAL 104 Cb 1.14 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2jpu h VAL 104 CO 0.11 0.00 0.49 0.11 0.02 0.00 0.00 177.57 178.30 2jpu h LYS 105 N -0.13 0.96 0.06 1.57 1.57 -0.59 -0.06 116.57 119.94 2jpu h LYS 105 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jpu h LYS 105 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2jpu h LYS 105 CO 0.02 0.63 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.29 2jpu h LYS 106 N 0.99 -0.07 -0.68 3.15 3.64 -1.23 -2.67 116.57 119.70 2jpu h LYS 106 Ca 0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2jpu h LYS 106 Cb -0.08 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2jpu h LYS 106 CO -0.07 0.16 0.33 -0.07 -2.27 0.00 0.00 179.45 177.53 2jpu h LEU 107 N -0.31 0.86 -1.22 5.20 -0.00 -0.50 -1.95 115.31 117.40 2jpu h LEU 107 Ca -0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2jpu h LEU 107 Cb 0.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 2jpu h LEU 107 CO 0.01 0.73 0.42 0.11 -0.00 0.00 0.00 178.44 179.71 2jpu h LYS 108 N 0.96 0.96 -0.20 1.13 1.57 -0.90 0.21 116.57 120.29 2jpu h LYS 108 Ca 0.24 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2jpu h LYS 108 Cb 0.09 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2jpu h LYS 108 CO -0.03 0.67 -0.16 1.49 -0.57 0.00 0.00 179.45 180.85 2jpu h GLU 109 N 0.97 0.47 -0.01 3.15 4.81 -1.02 0.59 114.58 123.54 2jpu h GLU 109 Ca 0.25 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2jpu h GLU 109 Cb -0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2jpu h GLU 109 CO -0.05 0.79 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.54 2jpu h ASP 110 N 0.15 -0.12 -0.88 1.04 5.19 -0.96 -0.76 116.42 120.07 2jpu h ASP 110 Ca 0.04 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2jpu h ASP 110 Cb 0.69 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.21 2jpu h ASP 110 CO 0.04 -0.06 0.52 0.58 -3.12 0.00 0.00 179.24 177.20 2jpu h VAL 111 N -0.07 1.25 -0.52 -1.35 2.07 -0.59 -2.34 116.25 114.69 2jpu h VAL 111 Ca 0.02 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2jpu h VAL 111 Cb 0.10 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.85 2jpu h VAL 111 CO -0.05 0.27 0.30 -0.09 0.02 0.00 0.00 177.57 178.02 2jpu h ARG 112 N 1.22 0.57 -0.34 1.57 2.43 -0.46 0.41 114.38 119.79 2jpu h ARG 112 Ca 0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2jpu h ARG 112 Cb -0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2jpu h ARG 112 CO -0.06 0.38 0.16 0.87 -1.51 0.00 0.00 179.97 179.81 2jpu h LYS 113 N 0.59 0.47 0.03 0.20 1.79 -0.76 -0.05 116.57 118.84 2jpu h LYS 113 Ca 0.22 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.53 2jpu h LYS 113 Cb 0.06 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2jpu h LYS 113 CO -0.12 0.37 -0.43 1.25 -1.08 0.00 0.00 179.45 179.44 2jpu h LEU 114 N 0.47 0.33 0.03 2.94 5.85 -0.78 -2.91 115.31 121.24 2jpu h LEU 114 Ca 0.12 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 2jpu h LEU 114 Cb 0.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2jpu h LEU 114 CO -0.02 1.13 -0.01 0.58 -0.34 0.00 0.00 178.44 179.78 2jpu h VAL 115 N -0.43 1.00 -0.45 1.05 2.07 0.09 -0.44 116.25 119.14 2jpu h VAL 115 Ca -0.06 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2jpu h VAL 115 Cb 1.22 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2jpu h VAL 115 CO 0.08 0.03 0.30 0.40 0.02 0.00 0.00 177.57 178.40 2jpu h ILE 116 N -0.08 1.06 -0.39 4.57 2.04 -1.15 0.19 117.51 123.75 2jpu h ILE 116 Ca -0.00 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 2jpu h ILE 116 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2jpu h ILE 116 CO 0.01 0.09 -0.25 0.15 0.00 0.00 0.00 178.15 178.15 2jpu h PHE 117 N 0.52 1.01 0.09 1.37 3.57 -1.16 -0.80 116.94 121.55 2jpu h PHE 117 Ca 0.18 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 2jpu h PHE 117 Cb 0.07 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2jpu h PHE 117 CO -0.00 1.06 -0.05 0.00 -2.23 0.00 0.00 178.31 177.09 2jpu h ALA 118 N 0.80 -0.13 -0.79 2.41 0.00 -0.37 -2.88 119.26 118.30 2jpu h ALA 118 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jpu h ALA 118 Cb 0.83 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2jpu h ALA 118 CO 0.07 -0.25 0.45 0.28 0.00 0.00 0.00 179.25 179.80 2jpu h VAL 119 N -0.77 1.23 0.00 0.00 2.07 -0.67 -1.52 116.25 116.59 2jpu h VAL 119 Ca -0.01 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2jpu h VAL 119 Cb 0.57 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jpu h VAL 119 CO 0.02 0.25 -0.22 -1.13 0.02 0.00 0.00 177.57 176.51 2jpu h ASN 120 N 1.08 0.00 -0.45 0.57 -0.73 -1.25 0.24 115.58 115.05 2jpu h ASN 120 Ca 0.28 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 2jpu h ASN 120 Cb -0.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2jpu h ASN 120 CO -0.05 0.22 0.14 -1.28 -0.37 0.00 0.00 177.43 176.09 2jpu h SER 121 N 0.00 0.66 0.00 1.15 0.87 -1.04 -3.36 113.55 111.82 2jpu h SER 121 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2jpu h SER 121 Cb 0.52 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2jpu h SER 121 CO 0.03 0.69 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.90 2jpu h LEU 122 N 0.59 0.00 -3.31 2.23 4.07 -1.19 -3.48 115.31 114.21 2jpu h LEU 122 Ca 0.15 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.54 2jpu h LEU 122 Cb 0.27 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 2jpu h LEU 122 CO -0.00 0.19 -0.98 -0.62 -1.08 0.00 0.00 178.44 175.94 2jpu n GLU 123 N -2.96 -0.83 -2.54 1.13 -0.58 0.80 -4.85 120.64 110.81 2jpu n GLU 123 Ca -0.01 0.18 -0.43 0.00 -0.42 0.00 0.00 57.16 56.49 2jpu n GLU 123 Cb 0.02 -3.20 0.00 0.00 -0.57 0.00 0.00 31.44 27.70 2jpu n GLU 123 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2jpu n HIS 124 N -4.75 4.32 -3.40 -0.32 -0.00 -1.26 -4.26 115.22 105.55 2jpu n HIS 124 Ca -0.16 -3.03 -0.19 0.00 0.46 0.00 0.00 57.72 54.80 2jpu n HIS 124 Cb 0.60 -2.36 0.08 0.00 -0.12 0.00 0.00 29.99 28.19 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jpu n HIS 125 N 6.34 -2.30 -0.01 1.57 -0.00 -1.26 -4.71 115.22 114.83 2jpu n HIS 125 Ca 0.44 0.89 -0.01 0.00 -0.00 0.00 0.00 57.72 59.03 2jpu n HIS 125 Cb 0.42 -4.73 -0.00 0.00 -0.00 0.00 0.00 29.99 25.68 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 -4.31 0.07 -2.73 1.57 -0.00 -1.26 -4.96 115.22 103.60 2jpu n HIS 126 Ca -0.13 0.03 -0.07 0.00 -0.00 0.00 0.00 57.72 57.55 2jpu n HIS 126 Cb 0.60 -0.20 0.06 0.00 -0.00 0.00 0.00 29.99 30.45 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 -2.76 -2.66 0.39 1.57 -0.00 -1.26 -5.04 115.22 105.46 2jpu n HIS 127 Ca -0.02 -1.49 -0.17 0.00 -0.00 0.00 0.00 57.72 56.04 2jpu n HIS 127 Cb 0.07 1.45 -0.09 0.00 -0.00 0.00 0.00 29.99 31.43 2jpu n HIS 127 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jpu h HIS 128 N 3.79 -0.92 0.00 1.57 2.76 -1.93 -3.52 115.15 116.89 2jpu h HIS 128 Ca -0.17 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 2jpu h HIS 128 Cb 1.07 0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.34 2jpu h HIS 128 CO -0.02 -0.55 0.00 1.58 -1.30 0.00 0.00 177.93 177.64