#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 4.82 0.47 6.12 0.15 -1.26 -5.09 113.70 118.91 2jpu s SER 2 Ca 0.00 -0.91 0.02 0.00 0.70 0.00 0.00 55.95 55.76 2jpu s SER 2 Cb 0.00 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2jpu s SER 2 CO 0.00 -0.20 0.04 0.27 1.20 0.00 0.00 173.24 174.56 2jpu s ILE 3 N 1.38 1.02 -0.37 6.45 -4.36 -1.26 -5.13 121.20 118.94 2jpu s ILE 3 Ca -0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 2jpu s ILE 3 Cb -0.18 -2.27 0.16 0.00 1.25 0.00 0.00 42.46 41.42 2jpu s ILE 3 CO -0.01 0.00 0.42 -0.44 0.24 0.00 0.00 174.94 175.16 2jpu s SER 4 N -3.78 0.63 0.52 4.36 0.01 -1.26 -5.12 113.70 109.07 2jpu s SER 4 Ca 0.13 -1.29 -0.18 0.00 1.31 0.00 0.00 55.95 55.93 2jpu s SER 4 Cb 0.02 0.86 -0.07 0.00 0.21 0.00 0.00 66.02 67.05 2jpu s SER 4 CO 0.08 -0.26 1.02 0.42 0.41 0.00 0.00 173.24 174.91 2jpu s THR 5 N 1.65 4.02 0.18 1.44 -4.23 -1.26 -4.93 115.64 112.52 2jpu s THR 5 Ca 0.16 1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 61.63 2jpu s THR 5 Cb -0.13 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.31 2jpu s THR 5 CO -0.08 -0.44 1.72 0.77 -0.54 0.00 0.00 174.62 176.05 2jpu h SER 6 N 1.07 -0.00 -0.20 3.99 4.64 -1.99 -2.20 113.55 118.87 2jpu h SER 6 Ca -0.48 0.09 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 2jpu h SER 6 Cb 1.21 0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.37 2jpu h SER 6 CO 0.59 0.03 -0.11 0.00 -0.87 0.00 0.00 176.83 176.47 2jpu h ALA 7 N 1.38 0.05 0.00 5.18 0.00 -1.86 -0.51 119.26 123.49 2jpu h ALA 7 Ca 0.24 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2jpu h ALA 7 Cb 0.32 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jpu h ALA 7 CO -0.32 -0.54 -0.42 1.05 0.00 0.00 0.00 179.25 179.02 2jpu h GLU 8 N -0.10 0.00 -0.02 0.00 4.11 -1.82 -2.09 114.58 114.67 2jpu h GLU 8 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2jpu h GLU 8 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jpu h GLU 8 CO -0.26 0.42 -0.01 0.28 0.07 0.00 0.00 179.01 179.51 2jpu h VAL 9 N 0.00 1.34 -0.71 -1.06 2.07 -0.74 -2.73 116.25 114.41 2jpu h VAL 9 Ca -0.00 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2jpu h VAL 9 Cb 0.80 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2jpu h VAL 9 CO 0.05 0.27 0.42 1.88 0.02 0.00 0.00 177.57 180.22 2jpu h TYR 10 N -0.37 0.93 -0.62 1.57 0.05 -0.94 -2.20 116.97 115.40 2jpu h TYR 10 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2jpu h TYR 10 Cb 0.45 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2jpu h TYR 10 CO 0.07 0.63 0.32 -0.92 -1.05 0.00 0.00 178.16 177.21 2jpu h TYR 11 N 0.98 0.87 -0.49 4.88 3.20 -1.36 -0.26 116.97 124.78 2jpu h TYR 11 Ca 0.26 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2jpu h TYR 11 Cb -0.03 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 2jpu h TYR 11 CO 0.00 0.64 -0.02 1.49 -1.64 0.00 0.00 178.16 178.63 2jpu h GLU 12 N 0.84 0.84 -0.41 1.82 4.81 -1.11 -0.07 114.58 121.30 2jpu h GLU 12 Ca 0.22 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2jpu h GLU 12 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2jpu h GLU 12 CO -0.03 0.85 -0.04 0.93 -0.73 0.00 0.00 179.01 179.99 2jpu h GLU 13 N 0.77 0.69 -0.40 1.92 5.08 -1.00 0.19 114.58 121.84 2jpu h GLU 13 Ca 0.14 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2jpu h GLU 13 Cb 0.50 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jpu h GLU 13 CO 0.03 0.73 0.16 0.00 -1.00 0.00 0.00 179.01 178.93 2jpu h ALA 14 N 1.31 0.52 -0.35 3.43 0.00 -0.33 -0.44 119.26 123.41 2jpu h ALA 14 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jpu h ALA 14 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jpu h ALA 14 CO 0.02 0.13 0.03 0.93 0.00 0.00 0.00 179.25 180.36 2jpu h GLU 15 N 0.51 0.53 -0.49 0.00 5.08 -0.53 0.63 114.58 120.29 2jpu h GLU 15 Ca 0.13 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2jpu h GLU 15 Cb 0.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2jpu h GLU 15 CO -0.01 0.53 0.06 0.93 -1.00 0.00 0.00 179.01 179.52 2jpu h GLU 16 N 0.51 0.83 -0.08 2.33 4.39 -0.17 0.12 114.58 122.51 2jpu h GLU 16 Ca 0.11 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 2jpu h GLU 16 Cb 0.28 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2jpu h GLU 16 CO 0.01 0.84 -0.48 0.74 -1.16 0.00 0.00 179.01 178.95 2jpu h PHE 17 N 0.70 0.25 -0.37 4.33 0.04 -0.74 0.18 116.94 121.33 2jpu h PHE 17 Ca 0.15 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2jpu h PHE 17 Cb 0.42 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2jpu h PHE 17 CO 0.03 0.66 -0.01 1.25 -0.60 0.00 0.00 178.31 179.63 2jpu h LEU 18 N 0.17 0.57 -0.48 1.54 5.85 -0.50 -0.40 115.31 122.05 2jpu h LEU 18 Ca 0.01 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 2jpu h LEU 18 Cb 0.92 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2jpu h LEU 18 CO 0.07 0.65 -0.75 0.28 -0.34 0.00 0.00 178.44 178.35 2jpu h SER 19 N 0.57 0.16 -0.64 1.25 0.02 -0.29 -3.00 113.55 111.62 2jpu h SER 19 Ca 0.12 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2jpu h SER 19 Cb 0.38 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2jpu h SER 19 CO 0.01 0.85 0.26 0.50 -1.14 0.00 0.00 176.83 177.31 2jpu h LYS 20 N 0.08 0.95 0.00 3.45 3.11 -0.43 -3.47 116.57 120.26 2jpu h LYS 20 Ca -0.02 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 2jpu h LYS 20 Cb 1.32 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2jpu h LYS 20 CO 0.11 0.80 0.00 0.41 -2.81 0.00 0.00 179.45 177.95 2jpu n GLY 21 N -0.84 1.79 3.32 5.01 0.00 -0.27 -5.09 105.19 109.11 2jpu n GLY 21 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.68 -0.02 1.61 -1.08 -0.53 -5.00 116.67 113.33 2jpu s ASP 22 Ca 0.00 -0.40 0.22 0.00 -0.52 0.00 0.00 52.55 51.85 2jpu s ASP 22 Cb 0.00 -1.48 -0.32 0.00 -1.46 0.00 0.00 42.92 39.66 2jpu s ASP 22 CO 0.00 0.18 0.53 0.18 0.52 0.00 0.00 175.17 176.57 2jpu n LEU 23 N 3.44 0.10 -0.00 -1.34 4.77 -1.26 -3.95 117.00 118.75 2jpu n LEU 23 Ca -0.18 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2jpu n LEU 23 Cb 0.53 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2jpu n LEU 23 CO 0.29 0.01 0.17 0.58 -1.33 0.00 0.00 177.39 177.11 2jpu h VAL 24 N 0.00 0.47 0.00 4.08 2.07 -1.94 -2.68 116.25 118.25 2jpu h VAL 24 Ca 0.00 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 2jpu h VAL 24 Cb 0.96 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2jpu h VAL 24 CO 0.00 0.15 -0.44 1.56 0.02 0.00 0.00 177.57 178.86 2jpu h GLN 25 N -1.00 0.00 -0.62 1.57 4.20 -1.98 -2.41 115.11 114.87 2jpu h GLN 25 Ca -0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2jpu h GLN 25 Cb 0.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2jpu h GLN 25 CO 0.02 0.44 0.39 0.00 -0.67 0.00 0.00 178.83 179.01 2jpu h ALA 26 N 1.56 0.80 0.00 3.87 0.00 -1.68 -1.17 119.26 122.64 2jpu h ALA 26 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jpu h ALA 26 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jpu h ALA 26 CO 0.06 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.29 2jpu h GLU 28 N 0.00 0.36 -0.42 0.00 4.22 -1.01 -0.38 114.58 117.34 2jpu h GLU 28 Ca -0.00 -0.31 -0.08 0.00 0.08 0.00 0.00 59.36 59.05 2jpu h GLU 28 Cb 0.42 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2jpu h GLU 28 CO 0.02 0.96 -0.04 0.87 -2.18 0.00 0.00 179.01 178.65 2jpu h LYS 29 N -0.14 0.78 -0.72 1.92 1.79 -0.99 -3.05 116.57 116.15 2jpu h LYS 29 Ca -0.03 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2jpu h LYS 29 Cb 1.06 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.59 2jpu h LYS 29 CO 0.08 0.87 0.41 -0.92 -1.08 0.00 0.00 179.45 178.80 2jpu h TYR 30 N 0.61 0.75 -0.79 -1.35 3.20 -0.47 -2.27 116.97 116.65 2jpu h TYR 30 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2jpu h TYR 30 Cb 0.54 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2jpu h TYR 30 CO 0.04 0.35 0.39 -0.92 -1.64 0.00 0.00 178.16 176.38 2jpu h TYR 31 N 0.74 1.13 0.00 -3.82 3.20 -0.98 -2.23 116.97 115.00 2jpu h TYR 31 Ca 0.33 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2jpu h TYR 31 Cb 0.22 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2jpu h TYR 31 CO -0.07 0.82 -0.35 0.87 -1.64 0.00 0.00 178.16 177.79 2jpu h LYS 32 N 1.11 0.00 -0.33 1.82 1.57 -1.34 0.18 116.57 119.59 2jpu h LYS 32 Ca 0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 2jpu h LYS 32 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jpu h LYS 32 CO -0.04 0.35 -0.16 0.00 -0.57 0.00 0.00 179.45 179.04 2jpu h ALA 33 N 1.65 1.11 0.12 3.86 0.00 -0.86 -2.94 119.26 122.21 2jpu h ALA 33 Ca -0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2jpu h ALA 33 Cb 0.66 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jpu h ALA 33 CO 0.05 0.55 -0.87 0.00 0.00 0.00 0.00 179.25 178.98 2jpu h ALA 34 N 1.30 -0.03 -0.49 0.00 0.00 -0.95 -3.21 119.26 115.88 2jpu h ALA 34 Ca 0.09 -0.76 0.03 0.00 0.00 0.00 0.00 54.91 54.26 2jpu h ALA 34 Cb 0.58 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2jpu h ALA 34 CO 0.04 0.43 0.29 1.05 0.00 0.00 0.00 179.25 181.06 2jpu h GLU 35 N -0.43 0.56 -0.10 0.00 4.11 -0.71 -2.43 114.58 115.57 2jpu h GLU 35 Ca -0.16 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.07 2jpu h GLU 35 Cb 1.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2jpu h GLU 35 CO 0.11 0.37 -0.64 0.93 0.07 0.00 0.00 179.01 179.86 2jpu h GLU 36 N 0.57 0.39 -0.54 1.06 5.08 -1.68 -3.01 114.58 116.45 2jpu h GLU 36 Ca 0.20 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jpu h GLU 36 Cb 0.03 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2jpu h GLU 36 CO -0.10 0.90 0.36 0.00 -1.00 0.00 0.00 179.01 179.17 2jpu h ALA 37 N 1.03 1.73 -0.02 3.43 0.00 -1.44 -1.84 119.26 122.15 2jpu h ALA 37 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jpu h ALA 37 Cb 1.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jpu h ALA 37 CO 0.11 0.21 0.01 0.82 0.00 0.00 0.00 179.25 180.39 2jpu h ILE 38 N 0.63 1.18 -0.18 0.00 1.08 -1.34 -2.41 117.51 116.47 2jpu h ILE 38 Ca 0.22 -0.53 -0.11 0.00 -0.39 0.00 0.00 64.86 64.05 2jpu h ILE 38 Cb 0.10 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2jpu h ILE 38 CO -0.06 0.14 -0.35 0.07 -0.69 0.00 0.00 178.15 177.26 2jpu h LYS 39 N -0.18 0.37 -0.67 2.37 2.10 -1.50 -1.58 116.57 117.48 2jpu h LYS 39 Ca 0.01 -0.16 0.07 0.00 -2.00 0.00 0.00 60.65 58.56 2jpu h LYS 39 Cb 0.23 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.49 2jpu h LYS 39 CO -0.00 0.68 0.35 -0.07 -2.00 0.00 0.00 179.45 178.41 2jpu h LEU 40 N 0.32 0.50 -0.55 7.07 4.07 -1.28 -1.56 115.31 123.89 2jpu h LEU 40 Ca 0.04 0.04 -0.15 0.00 0.08 0.00 0.00 57.88 57.89 2jpu h LEU 40 Cb 0.77 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2jpu h LEU 40 CO 0.06 0.32 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.21 2jpu h LEU 41 N 0.64 0.71 -0.42 1.67 3.38 -0.85 -1.59 115.31 118.84 2jpu h LEU 41 Ca 0.31 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2jpu h LEU 41 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2jpu h LEU 41 CO -0.21 1.06 0.08 0.58 0.09 0.00 0.00 178.44 180.04 2jpu h VAL 42 N 0.52 1.24 -0.41 1.22 2.07 -1.04 -0.33 116.25 119.53 2jpu h VAL 42 Ca 0.03 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2jpu h VAL 42 Cb 0.99 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2jpu h VAL 42 CO 0.09 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.53 2jpu h ILE 43 N 0.56 1.21 -0.56 4.57 2.04 -1.19 -1.38 117.51 122.75 2jpu h ILE 43 Ca 0.13 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2jpu h ILE 43 Cb 0.36 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2jpu h ILE 43 CO 0.01 0.23 0.34 -0.08 0.00 0.00 0.00 178.15 178.65 2jpu h GLU 44 N 0.51 0.75 0.00 2.37 4.22 -1.16 -1.67 114.58 119.61 2jpu h GLU 44 Ca 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.51 2jpu h GLU 44 Cb 0.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jpu h GLU 44 CO -0.01 0.54 0.00 0.09 -2.18 0.00 0.00 179.01 177.45 2jpu n ASN 45 N -4.66 0.00 -2.56 1.04 3.02 -0.15 -4.88 115.26 107.08 2jpu n ASN 45 Ca 0.03 -0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 2jpu n ASN 45 Cb 0.05 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.26 -5.56 -4.56 6.41 5.15 -0.60 -4.90 115.26 109.94 2jpu n ASN 46 Ca 0.12 -0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.47 2jpu n ASN 46 Cb 0.18 -4.44 -0.01 0.00 -0.53 0.00 0.00 39.78 34.97 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 -5.81 3.88 0.05 1.20 1.43 -0.71 -4.77 118.68 113.96 2jpu s LEU 47 Ca 0.21 -2.12 0.17 0.00 -1.03 0.00 0.00 54.13 51.36 2jpu s LEU 47 Cb -0.09 -2.55 0.71 0.00 0.03 0.00 0.00 46.19 44.28 2jpu s LEU 47 CO 0.26 -1.25 1.53 0.29 0.23 0.00 0.00 176.35 177.41 2jpu n LYS 48 N 8.26 0.04 -0.35 1.70 5.02 -1.26 -2.90 118.16 128.67 2jpu n LYS 48 Ca 0.41 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 57.06 2jpu n LYS 48 Cb 0.48 -1.58 0.27 0.00 -0.02 0.00 0.00 35.03 34.18 2jpu n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2jpu h GLU 49 N 0.00 0.90 0.07 1.97 4.22 -1.99 0.50 114.58 120.26 2jpu h GLU 49 Ca 0.00 -0.05 -0.35 0.00 0.08 0.00 0.00 59.36 59.04 2jpu h GLU 49 Cb 0.28 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2jpu h GLU 49 CO 0.00 0.59 -1.97 -0.89 -2.18 0.00 0.00 179.01 174.57 2jpu n ILE 50 N -4.63 1.69 -0.19 2.32 2.08 -1.14 -3.86 119.36 115.63 2jpu n ILE 50 Ca 0.19 -0.70 -0.03 0.00 0.56 0.00 0.00 62.75 62.78 2jpu n ILE 50 Cb 0.40 -1.45 0.08 0.00 -0.75 0.00 0.00 39.64 37.92 2jpu n ILE 50 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2jpu h THR 51 N 0.04 0.89 0.00 1.39 2.02 -1.44 0.19 112.91 116.00 2jpu h THR 51 Ca -0.40 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2jpu h THR 51 Cb 2.03 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2jpu h THR 51 CO 0.07 0.09 0.00 -0.55 0.37 0.00 0.00 175.52 175.50 2jpu h ASN 52 N 0.49 0.00 1.14 4.18 7.08 -1.10 -2.67 115.58 124.71 2jpu h ASN 52 Ca 0.26 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.31 2jpu h ASN 52 Cb 0.22 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.44 2jpu h ASN 52 CO -0.21 0.00 -0.82 -1.13 -2.08 0.00 0.00 177.43 173.19 2jpu h ASN 53 N 0.00 0.00 0.26 6.14 -1.24 -1.14 -3.13 115.58 116.48 2jpu h ASN 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jpu h ASN 53 Cb 0.65 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.70 2jpu h ASN 53 CO 0.00 0.82 0.00 0.52 -1.29 0.00 0.00 177.43 177.48 2jpu n VAL 54 N -3.33 0.90 0.22 2.57 0.31 -0.32 -2.98 118.33 115.71 2jpu n VAL 54 Ca 0.01 0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.69 2jpu n VAL 54 Cb 0.86 -1.04 0.63 0.00 -0.91 0.00 0.00 33.84 33.38 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 -0.19 5.55 3.64 -1.66 -0.29 116.57 123.62 2jpu h LYS 55 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jpu h LYS 55 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2jpu h LYS 55 CO 0.00 0.00 0.09 -0.97 -2.27 0.00 0.00 179.45 176.30 2jpu h ASN 56 N 0.00 0.25 -3.75 4.20 -0.73 -1.82 -3.45 115.58 110.28 2jpu h ASN 56 Ca 0.00 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2jpu h ASN 56 Cb 0.08 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2jpu h ASN 56 CO 0.00 0.29 0.00 0.29 -0.37 0.00 0.00 177.43 177.64 2jpu n LYS 57 N -4.88 1.25 0.00 6.67 4.76 -0.12 -5.04 118.16 120.80 2jpu n LYS 57 Ca -0.04 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.48 2jpu n LYS 57 Cb 0.09 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.34 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jpu n GLY 58 N 5.00 0.10 0.34 0.72 0.00 -1.26 -4.97 105.19 105.13 2jpu n GLY 58 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2jpu n GLY 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jpu n ARG 59 N 0.81 0.02 -2.95 1.61 3.00 -1.26 -5.12 116.66 112.77 2jpu n ARG 59 Ca 0.09 -0.07 -0.18 0.00 -0.00 0.00 0.00 57.85 57.68 2jpu n ARG 59 Cb 0.38 0.12 0.02 0.00 0.00 0.00 0.00 32.46 32.98 2jpu n ARG 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jpu s TRP 60 N -3.29 2.85 0.07 -0.14 0.52 -1.26 -5.00 118.94 112.68 2jpu s TRP 60 Ca 0.03 -0.29 0.00 0.00 0.02 0.00 0.00 56.10 55.86 2jpu s TRP 60 Cb -0.00 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 2jpu s TRP 60 CO 0.00 -0.50 0.00 1.17 0.02 0.00 0.00 176.95 177.64 2jpu n LYS 61 N -1.95 0.00 0.08 4.98 4.81 -1.26 -5.07 118.16 119.74 2jpu n LYS 61 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2jpu n LYS 61 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2jpu n LYS 61 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jpu n SER 62 N -2.53 -0.63 -0.16 3.14 3.41 -1.26 -4.85 113.62 110.75 2jpu n SER 62 Ca 0.00 0.28 -0.03 0.00 -0.26 0.00 0.00 58.87 58.86 2jpu n SER 62 Cb 0.00 0.74 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 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 0.04 0.00 4.33 4.57 -1.99 0.69 114.58 122.22 2jpu h GLU 63 Ca 0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2jpu h GLU 63 Cb 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2jpu h GLU 63 CO 0.00 0.02 -0.17 -0.91 -1.18 0.00 0.00 179.01 176.78 2jpu h ASN 64 N 0.04 0.00 0.04 1.04 2.35 -1.95 -2.67 115.58 114.43 2jpu h ASN 64 Ca 0.24 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.77 2jpu h ASN 64 Cb 0.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.75 2jpu h ASN 64 CO -0.47 0.17 -0.83 -0.07 -1.65 0.00 0.00 177.43 174.57 2jpu h LEU 65 N 0.00 0.77 -1.16 1.61 3.38 -1.22 -0.59 115.31 118.10 2jpu h LEU 65 Ca -0.00 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2jpu h LEU 65 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jpu h LEU 65 CO 0.02 1.32 -0.03 0.15 0.09 0.00 0.00 178.44 179.99 2jpu h PHE 66 N 0.41 0.57 -0.00 1.13 3.57 -1.02 -0.31 116.94 121.29 2jpu h PHE 66 Ca -0.06 -0.07 -0.25 0.00 3.53 0.00 0.00 57.97 61.12 2jpu h PHE 66 Cb 1.45 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 40.05 2jpu h PHE 66 CO 0.07 0.58 -0.97 -0.22 -2.23 0.00 0.00 178.31 175.54 2jpu h LYS 67 N 0.52 0.67 -0.81 1.11 3.64 -1.47 -3.28 116.57 116.95 2jpu h LYS 67 Ca 0.11 -0.71 0.05 0.00 -1.27 0.00 0.00 60.65 58.83 2jpu h LYS 67 Cb 0.38 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2jpu h LYS 67 CO 0.02 1.30 0.49 0.00 -2.27 0.00 0.00 179.45 178.99 2jpu h ALA 68 N 0.39 1.09 0.00 5.00 0.00 -0.54 -1.74 119.26 123.46 2jpu h ALA 68 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2jpu h ALA 68 Cb 1.63 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jpu h ALA 68 CO 0.19 0.24 -0.12 0.66 0.00 0.00 0.00 179.25 180.23 2jpu h SER 69 N 0.92 0.00 -0.74 0.00 4.64 -1.15 -1.90 113.55 115.32 2jpu h SER 69 Ca 0.35 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2jpu h SER 69 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2jpu h SER 69 CO -0.16 0.12 0.49 0.50 -0.87 0.00 0.00 176.83 176.90 2jpu h LYS 70 N 0.00 0.96 0.00 4.77 3.11 -1.38 -3.33 116.57 120.71 2jpu h LYS 70 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2jpu h LYS 70 Cb 0.32 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2jpu h LYS 70 CO 0.01 0.63 0.00 1.28 -2.81 0.00 0.00 179.45 178.57 2jpu n LEU 71 N -4.58 0.00 0.00 5.20 4.77 -0.71 -4.45 117.00 117.23 2jpu n LEU 71 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2jpu n LEU 71 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2jpu n LEU 71 CO 0.35 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.59 2jpu n LEU 72 N 0.00 0.22 0.16 2.23 4.77 -1.26 -4.70 117.00 118.42 2jpu n LEU 72 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2jpu n LEU 72 Cb 0.00 -0.54 0.56 0.00 -2.33 0.00 0.00 43.42 41.11 2jpu n LEU 72 CO 0.00 -0.11 0.88 -0.09 -1.33 0.00 0.00 177.39 176.74 2jpu h ARG 73 N 0.87 0.00 0.00 3.23 2.43 -1.78 -1.64 114.38 117.50 2jpu h ARG 73 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2jpu h ARG 73 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2jpu h ARG 73 CO 0.00 0.00 -0.21 0.77 -1.51 0.00 0.00 179.97 179.02 2jpu h SER 74 N 0.00 0.00 0.10 -3.80 0.02 -1.95 -3.05 113.55 104.88 2jpu h SER 74 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 2jpu h SER 74 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2jpu h SER 74 CO 0.00 0.21 -1.44 0.78 -1.14 0.00 0.00 176.83 175.24 2jpu h ASN 75 N 0.00 0.33 -3.19 3.07 2.35 -1.70 -3.48 115.58 112.95 2jpu h ASN 75 Ca -0.00 -0.82 0.03 0.00 -0.55 0.00 0.00 56.30 54.95 2jpu h ASN 75 Cb 0.44 -0.11 -0.23 0.00 0.05 0.00 0.00 38.32 38.48 2jpu h ASN 75 CO 0.03 1.62 0.19 0.21 -1.65 0.00 0.00 177.43 177.83 2jpu s ASN 76 N -6.99 -0.73 0.33 5.81 3.84 -1.15 -5.04 114.94 111.00 2jpu s ASN 76 Ca -0.21 1.26 0.26 0.00 0.21 0.00 0.00 52.86 54.38 2jpu s ASN 76 Cb 0.05 1.29 0.92 0.00 -0.55 0.00 0.00 41.25 42.96 2jpu s ASN 76 CO 0.74 -0.21 1.77 0.71 -2.79 0.00 0.00 177.10 177.33 2jpu h THR 77 N 4.53 0.00 0.00 -5.21 1.35 -1.87 -3.07 112.91 108.63 2jpu h THR 77 Ca -0.29 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2jpu h THR 77 Cb 1.20 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2jpu h THR 77 CO 0.13 0.00 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.06 2jpu h GLU 78 N 0.00 0.00 0.28 4.72 5.08 -1.96 -3.37 114.58 119.34 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 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2jpu h GLU 78 CO 0.00 0.00 -0.31 0.82 -1.00 0.00 0.00 179.01 178.52 2jpu h ILE 79 N 0.00 0.35 -0.76 3.13 2.04 -1.89 -0.66 117.51 119.72 2jpu h ILE 79 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2jpu h ILE 79 Cb 0.82 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2jpu h ILE 79 CO 0.00 0.00 0.50 1.55 0.00 0.00 0.00 178.15 180.20 2jpu h PRO 80 N -0.63 0.54 -0.44 2.37 0.13 -1.72 -2.07 132.00 130.18 2jpu h PRO 80 Ca -0.01 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 2jpu h PRO 80 Cb 0.59 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2jpu h PRO 80 CO -0.08 0.36 -0.15 0.82 -0.23 0.00 0.00 178.00 178.72 2jpu h ILE 81 N 0.55 1.27 -0.27 -3.56 2.04 -1.56 0.47 117.51 116.46 2jpu h ILE 81 Ca 0.37 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jpu h ILE 81 Cb 0.66 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2jpu h ILE 81 CO -0.13 0.43 0.11 -0.07 0.00 0.00 0.00 178.15 178.49 2jpu h LEU 82 N 0.70 0.38 -0.42 1.44 3.38 -0.46 0.22 115.31 120.55 2jpu h LEU 82 Ca 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jpu h LEU 82 Cb 0.70 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2jpu h LEU 82 CO 0.05 0.44 0.21 -0.25 0.09 0.00 0.00 178.44 178.98 2jpu h TRP 83 N 0.29 0.61 -0.92 1.13 2.91 -1.41 -2.65 115.95 115.90 2jpu h TRP 83 Ca 0.09 -0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.15 2jpu h TRP 83 Cb 0.18 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 2jpu h TRP 83 CO -0.01 0.49 0.60 -0.22 -1.03 0.00 0.00 178.44 178.28 2jpu h LYS 84 N 0.54 1.00 -0.29 2.65 1.63 -0.51 0.23 116.57 121.82 2jpu h LYS 84 Ca 0.15 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 2jpu h LYS 84 Cb 0.11 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2jpu h LYS 84 CO -0.02 0.66 -0.04 0.77 -3.45 0.00 0.00 179.45 177.37 2jpu h SER 85 N 1.03 0.55 -0.18 4.20 0.02 -0.73 0.51 113.55 118.95 2jpu h SER 85 Ca 0.40 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2jpu h SER 85 Cb 0.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2jpu h SER 85 CO -0.16 0.76 -0.26 0.00 -1.14 0.00 0.00 176.83 176.03 2jpu h ALA 86 N 0.80 0.94 -0.15 3.77 0.00 -1.06 -1.87 119.26 121.69 2jpu h ALA 86 Ca 0.08 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2jpu h ALA 86 Cb 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jpu h ALA 86 CO 0.02 0.61 -0.09 2.35 0.00 0.00 0.00 179.25 182.15 2jpu h TRP 87 N 0.57 -0.22 -0.26 0.00 2.91 -0.38 -2.31 115.95 116.26 2jpu h TRP 87 Ca 0.08 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.16 2jpu h TRP 87 Cb 0.74 0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 2jpu h TRP 87 CO 0.03 -0.14 0.01 1.15 -1.03 0.00 0.00 178.44 178.46 2jpu h THR 88 N -0.08 0.82 0.00 2.65 2.02 -0.41 -0.69 112.91 117.22 2jpu h THR 88 Ca 0.09 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 2jpu h THR 88 Cb 0.22 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jpu h THR 88 CO -0.21 0.02 -0.21 0.17 0.37 0.00 0.00 175.52 175.66 2jpu h LEU 89 N 0.09 0.00 0.00 2.58 8.10 -1.27 -2.61 115.31 122.20 2jpu h LEU 89 Ca 0.12 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.99 2jpu h LEU 89 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.36 2jpu h LEU 89 CO -0.20 0.21 -0.98 -0.74 -4.11 0.00 0.00 178.44 172.62 2jpu h HIS 90 N 0.00 0.00 0.34 0.17 2.76 -0.83 -3.34 115.15 114.25 2jpu h HIS 90 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jpu h HIS 90 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.67 2jpu h HIS 90 CO 0.00 0.48 -0.17 0.28 -1.30 0.00 0.00 177.93 177.22 2jpu h VAL 91 N 0.00 0.67 -5.63 5.26 2.07 -0.75 -3.49 116.25 114.39 2jpu h VAL 91 Ca -0.08 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 2jpu h VAL 91 Cb 1.44 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jpu h VAL 91 CO 0.05 0.07 -0.66 1.21 0.02 0.00 0.00 177.57 178.26 2jpu n GLU 92 N -5.21 -2.20 -0.29 1.57 2.13 -1.14 -4.98 120.64 110.53 2jpu n GLU 92 Ca -0.10 1.89 0.00 0.00 0.66 0.00 0.00 57.16 59.61 2jpu n GLU 92 Cb 0.25 -4.74 0.00 0.00 0.27 0.00 0.00 31.44 27.22 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jpu n GLY 93 N -0.39 -0.15 0.67 8.31 0.00 -1.26 -4.91 105.19 107.46 2jpu n GLY 93 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.18 1.61 7.35 -1.26 -4.98 117.46 118.00 2jpu n PHE 94 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 2jpu n PHE 94 Cb 0.57 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.37 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 -2.19 0.00 -2.67 -5.13 -0.00 -1.26 -5.08 115.22 98.90 2jpu n HIS 95 Ca 0.00 -0.43 -0.42 0.00 0.46 0.00 0.00 57.72 57.33 2jpu n HIS 95 Cb 0.00 0.21 -0.03 0.00 -0.12 0.00 0.00 29.99 30.05 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2jpu s GLU 96 N 0.00 3.26 -1.20 1.57 8.01 -1.26 -4.94 118.70 124.14 2jpu s GLU 96 Ca 0.12 -0.27 -0.13 0.00 0.01 0.00 0.00 54.97 54.71 2jpu s GLU 96 Cb 0.14 -4.14 0.19 0.00 -4.31 0.00 0.00 34.13 26.01 2jpu s GLU 96 CO -0.06 -1.88 1.43 1.28 0.01 0.00 0.00 175.26 176.03 2jpu n LEU 97 N 8.54 5.38 -1.10 1.80 7.99 -1.26 -4.39 117.00 133.95 2jpu n LEU 97 Ca 0.03 -4.56 -0.14 0.00 -0.01 0.00 0.00 56.01 51.32 2jpu n LEU 97 Cb 0.48 -1.59 -0.06 0.00 -0.11 0.00 0.00 43.42 42.14 2jpu n LEU 97 CO 0.69 0.87 -0.14 -1.20 -1.51 0.00 0.00 177.39 176.10 2jpu n SER 98 N 5.05 -4.72 -0.81 -1.43 7.64 -1.26 -4.77 113.62 113.32 2jpu n SER 98 Ca 0.35 0.35 0.10 0.00 1.01 0.00 0.00 58.87 60.69 2jpu n SER 98 Cb 0.42 -3.49 -0.04 0.00 -1.01 0.00 0.00 64.21 60.09 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpu n LEU 99 N -1.63 -0.48 -4.77 -3.43 4.77 -1.26 -4.86 117.00 105.34 2jpu n LEU 99 Ca -0.14 1.09 -0.31 0.00 -0.03 0.00 0.00 56.01 56.61 2jpu n LEU 99 Cb 0.47 -2.58 -0.07 0.00 -2.33 0.00 0.00 43.42 38.91 2jpu n LEU 99 CO 0.22 -1.74 -0.27 0.20 -1.33 0.00 0.00 177.39 174.47 2jpu s ASN 100 N -6.08 5.53 0.22 -1.43 0.01 -1.26 -5.02 114.94 106.90 2jpu s ASN 100 Ca 0.00 0.04 -0.08 0.00 -0.71 0.00 0.00 52.86 52.11 2jpu s ASN 100 Cb 0.00 -1.51 0.17 0.00 0.41 0.00 0.00 41.25 40.32 2jpu s ASN 100 CO 0.00 0.22 1.83 -0.08 -1.51 0.00 0.00 177.10 177.56 2jpu h GLU 101 N 3.67 1.15 -0.26 -0.60 4.81 -1.99 -2.12 114.58 119.24 2jpu h GLU 101 Ca -0.48 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 58.65 2jpu h GLU 101 Cb 1.17 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2jpu h GLU 101 CO 0.64 0.86 0.01 -0.22 -0.73 0.00 0.00 179.01 179.56 2jpu h LYS 102 N 1.14 0.08 -0.64 1.92 3.64 -1.98 0.85 116.57 121.58 2jpu h LYS 102 Ca 0.29 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2jpu h LYS 102 Cb 0.06 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2jpu h LYS 102 CO -0.04 0.06 0.13 0.93 -2.27 0.00 0.00 179.45 178.25 2jpu h GLU 103 N 0.09 1.04 -0.40 1.90 5.08 -1.88 0.35 114.58 120.74 2jpu h GLU 103 Ca 0.12 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2jpu h GLU 103 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2jpu h GLU 103 CO -0.20 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.06 2jpu h VAL 104 N 0.98 1.25 0.00 3.13 2.07 -0.97 -0.50 116.25 122.22 2jpu h VAL 104 Ca 0.20 -0.95 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 2jpu h VAL 104 Cb 0.39 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2jpu h VAL 104 CO 0.01 0.32 -0.52 0.11 0.02 0.00 0.00 177.57 177.51 2jpu h LYS 105 N 0.53 0.00 0.35 1.57 1.57 -0.48 0.37 116.57 120.47 2jpu h LYS 105 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2jpu h LYS 105 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2jpu h LYS 105 CO 0.01 0.52 -0.17 0.87 -0.57 0.00 0.00 179.45 180.12 2jpu h LYS 106 N 0.00 -0.45 -0.48 3.15 1.57 -0.81 -3.29 116.57 116.25 2jpu h LYS 106 Ca -0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jpu h LYS 106 Cb 0.96 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2jpu h LYS 106 CO 0.07 -0.13 0.29 -0.07 -0.57 0.00 0.00 179.45 179.04 2jpu h LEU 107 N -0.93 0.57 -1.46 2.94 -0.00 -0.97 -1.72 115.31 113.74 2jpu h LEU 107 Ca -0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2jpu h LEU 107 Cb 0.53 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2jpu h LEU 107 CO 0.08 0.44 0.09 0.07 -0.00 0.00 0.00 178.44 179.11 2jpu h LYS 108 N 0.66 0.45 0.00 1.13 5.09 -1.02 0.26 116.57 123.14 2jpu h LYS 108 Ca 0.17 -0.06 -0.16 0.00 0.09 0.00 0.00 60.65 60.69 2jpu h LYS 108 Cb -0.03 -0.08 -0.03 0.00 0.10 0.00 0.00 32.23 32.20 2jpu h LYS 108 CO -0.03 0.41 -0.94 0.93 -2.09 0.00 0.00 179.45 177.72 2jpu h GLU 109 N 0.45 0.00 -0.34 0.07 5.08 -1.43 -0.65 114.58 117.76 2jpu h GLU 109 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jpu h GLU 109 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jpu h GLU 109 CO -0.01 0.59 0.12 -0.44 -1.00 0.00 0.00 179.01 178.28 2jpu h ASP 110 N 0.00 0.48 0.33 1.42 3.32 -0.40 -0.69 116.42 120.88 2jpu h ASP 110 Ca -0.06 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 2jpu h ASP 110 Cb 1.59 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 2jpu h ASP 110 CO 0.08 0.53 -0.44 0.58 -1.72 0.00 0.00 179.24 178.28 2jpu h VAL 111 N 0.40 1.32 -0.46 -1.35 2.07 -0.57 -2.45 116.25 115.22 2jpu h VAL 111 Ca 0.11 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2jpu h VAL 111 Cb 0.22 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2jpu h VAL 111 CO -0.01 0.45 0.23 -0.09 0.02 0.00 0.00 177.57 178.18 2jpu h ARG 112 N 0.11 0.63 -0.90 1.57 2.43 -0.68 0.29 114.38 117.83 2jpu h ARG 112 Ca 0.01 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2jpu h ARG 112 Cb 0.82 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2jpu h ARG 112 CO 0.06 0.48 0.59 0.87 -1.51 0.00 0.00 179.97 180.46 2jpu h LYS 113 N 0.63 1.19 -0.47 0.20 1.57 -0.65 0.72 116.57 119.76 2jpu h LYS 113 Ca 0.16 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2jpu h LYS 113 Cb 0.05 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2jpu h LYS 113 CO -0.02 0.79 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.46 2jpu h LEU 114 N 1.22 0.91 0.13 2.94 4.07 -0.85 -1.59 115.31 122.13 2jpu h LEU 114 Ca 0.33 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2jpu h LEU 114 Cb -0.13 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.36 2jpu h LEU 114 CO -0.07 1.06 -0.06 0.58 -1.08 0.00 0.00 178.44 178.87 2jpu h VAL 115 N 0.75 0.94 -0.64 1.22 2.07 -0.09 0.24 116.25 120.73 2jpu h VAL 115 Ca 0.12 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2jpu h VAL 115 Cb 0.66 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2jpu h VAL 115 CO 0.05 0.06 0.43 0.40 0.02 0.00 0.00 177.57 178.52 2jpu h ILE 116 N -0.28 0.97 -0.08 4.57 2.04 -0.87 0.86 117.51 124.73 2jpu h ILE 116 Ca -0.02 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 2jpu h ILE 116 Cb 0.23 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2jpu h ILE 116 CO 0.03 0.11 -0.48 0.15 0.00 0.00 0.00 178.15 177.96 2jpu h PHE 117 N 0.59 0.63 -0.41 1.37 3.04 -0.69 0.18 116.94 121.65 2jpu h PHE 117 Ca 0.28 -0.29 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 2jpu h PHE 117 Cb 0.35 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2jpu h PHE 117 CO -0.00 1.06 -0.04 0.00 -2.02 0.00 0.00 178.31 177.31 2jpu h ALA 118 N 0.44 0.55 -0.68 2.41 0.00 -0.10 0.42 119.26 122.29 2jpu h ALA 118 Ca -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2jpu h ALA 118 Cb 1.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2jpu h ALA 118 CO 0.10 0.37 0.18 0.28 0.00 0.00 0.00 179.25 180.18 2jpu h VAL 119 N 0.57 1.26 -0.16 0.00 2.07 -0.85 -1.76 116.25 117.38 2jpu h VAL 119 Ca 0.11 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2jpu h VAL 119 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2jpu h VAL 119 CO 0.03 0.36 0.08 -1.13 0.02 0.00 0.00 177.57 176.93 2jpu h ASN 120 N 1.00 0.19 0.52 0.57 -0.00 -0.35 -0.29 115.58 117.22 2jpu h ASN 120 Ca 0.21 -0.01 -0.14 0.00 -0.00 0.00 0.00 56.30 56.37 2jpu h ASN 120 Cb 0.35 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.61 2jpu h ASN 120 CO -0.00 0.16 -0.63 0.28 -0.00 0.00 0.00 177.43 177.24 2jpu h SER 121 N 0.22 0.12 0.41 1.15 0.02 -0.13 -2.81 113.55 112.52 2jpu h SER 121 Ca 0.06 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jpu h SER 121 Cb 0.02 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2jpu h SER 121 CO -0.01 0.71 -0.25 0.18 -1.14 0.00 0.00 176.83 176.32 2jpu n LEU 122 N -3.82 0.64 -1.12 5.07 4.32 -0.32 -2.59 117.00 119.18 2jpu n LEU 122 Ca -0.02 -0.05 -0.03 0.00 -0.02 0.00 0.00 56.01 55.89 2jpu n LEU 122 Cb 0.63 -0.20 0.04 0.00 -1.62 0.00 0.00 43.42 42.26 2jpu n LEU 122 CO 0.43 0.13 0.58 -0.62 -1.22 0.00 0.00 177.39 176.69 2jpu n GLU 123 N -1.03 1.31 -2.76 3.23 1.02 -0.27 -4.83 120.64 117.31 2jpu n GLU 123 Ca 0.11 -0.53 -0.04 0.00 -0.02 0.00 0.00 57.16 56.68 2jpu n GLU 123 Cb 0.32 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.19 -3.71 -0.02 -0.32 -0.00 -1.23 -4.93 115.22 105.20 2jpu n HIS 124 Ca 0.09 1.58 -0.09 0.00 -0.00 0.00 0.00 57.72 59.30 2jpu n HIS 124 Cb 0.65 -4.02 -0.04 0.00 -0.00 0.00 0.00 29.99 26.58 2jpu n HIS 124 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jpu h HIS 125 N 2.51 -0.03 -1.16 1.57 2.76 -1.62 -3.49 115.15 115.70 2jpu h HIS 125 Ca 0.00 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.31 2jpu h HIS 125 Cb 0.47 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 2jpu h HIS 125 CO 0.05 -0.03 -0.32 1.58 -1.30 0.00 0.00 177.93 177.90 2jpu n HIS 126 N -5.14 -1.30 -2.09 5.26 -0.00 -1.26 -4.99 115.22 105.71 2jpu n HIS 126 Ca -0.03 0.68 -0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2jpu n HIS 126 Cb 0.09 -1.18 -0.00 0.00 -0.00 0.00 0.00 29.99 28.90 2jpu n HIS 126 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jpu n HIS 127 N -3.10 -1.94 -3.09 1.57 8.25 -1.26 -4.99 115.22 110.66 2jpu n HIS 127 Ca -0.01 0.86 -0.40 0.00 -0.26 0.00 0.00 57.72 57.91 2jpu n HIS 127 Cb 0.23 -2.72 -0.05 0.00 1.12 0.00 0.00 29.99 28.57 2jpu n HIS 127 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jpu s HIS 128 N -0.79 3.54 -2.87 4.41 2.46 -1.26 -5.17 115.29 115.61 2jpu s HIS 128 Ca -0.00 1.16 0.25 0.00 0.47 0.00 0.00 55.06 56.94 2jpu s HIS 128 Cb 0.00 -2.78 0.41 0.00 -0.13 0.00 0.00 32.58 30.09 2jpu s HIS 128 CO 0.38 0.05 1.39 -2.39 -2.47 0.00 0.00 174.74 171.70