#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 6.19 0.43 7.83 0.01 -1.26 -5.07 113.70 121.84 2jpu s SER 2 Ca 0.00 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.00 2jpu s SER 2 Cb 0.00 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.03 2jpu s SER 2 CO 0.00 -0.42 0.56 0.27 0.41 0.00 0.00 173.24 174.07 2jpu s ILE 3 N 2.07 2.88 -0.35 1.44 -4.36 -1.26 -5.10 121.20 116.52 2jpu s ILE 3 Ca 0.12 -1.04 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 2jpu s ILE 3 Cb -0.17 -2.93 0.17 0.00 1.25 0.00 0.00 42.46 40.78 2jpu s ILE 3 CO 0.12 0.00 0.46 -0.44 0.24 0.00 0.00 174.94 175.32 2jpu s SER 4 N -4.35 0.10 0.28 4.36 0.01 -1.26 -5.15 113.70 107.69 2jpu s SER 4 Ca 0.55 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 2jpu s SER 4 Cb -0.09 1.16 -0.06 0.00 0.21 0.00 0.00 66.02 67.24 2jpu s SER 4 CO 0.33 -0.27 0.58 0.42 0.41 0.00 0.00 173.24 174.71 2jpu s THR 5 N 1.97 4.95 0.41 1.44 -4.23 -1.26 -4.98 115.64 113.93 2jpu s THR 5 Ca 0.14 0.32 0.12 0.00 -1.18 0.00 0.00 61.69 61.08 2jpu s THR 5 Cb -0.11 -3.68 0.15 0.00 1.34 0.00 0.00 72.50 70.20 2jpu s THR 5 CO -0.14 -0.23 1.93 0.28 -0.54 0.00 0.00 174.62 175.91 2jpu h SER 6 N 2.02 0.10 -0.04 3.99 0.02 -1.99 -2.71 113.55 114.94 2jpu h SER 6 Ca -0.47 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2jpu h SER 6 Cb 1.18 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2jpu h SER 6 CO 0.67 0.31 -0.01 0.00 -1.14 0.00 0.00 176.83 176.66 2jpu h ALA 7 N 1.70 0.02 0.00 3.77 0.00 -1.87 0.15 119.26 123.03 2jpu h ALA 7 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2jpu h ALA 7 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jpu h ALA 7 CO 0.03 -0.50 -0.44 1.05 0.00 0.00 0.00 179.25 179.39 2jpu h GLU 8 N -0.00 0.00 0.12 0.00 4.11 -1.87 -0.45 114.58 116.48 2jpu h GLU 8 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2jpu h GLU 8 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jpu h GLU 8 CO -0.04 0.44 -0.06 0.28 0.07 0.00 0.00 179.01 179.71 2jpu h VAL 9 N 0.00 1.08 -0.49 -1.06 2.07 -1.12 -1.06 116.25 115.67 2jpu h VAL 9 Ca -0.00 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2jpu h VAL 9 Cb 0.85 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2jpu h VAL 9 CO 0.06 0.22 0.09 1.88 0.02 0.00 0.00 177.57 179.84 2jpu h TYR 10 N -0.62 0.78 -0.78 1.57 0.05 -0.62 -0.32 116.97 117.03 2jpu h TYR 10 Ca -0.02 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 2jpu h TYR 10 Cb 0.48 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2jpu h TYR 10 CO 0.07 0.68 0.32 -0.92 -1.05 0.00 0.00 178.16 177.25 2jpu h TYR 11 N 0.72 1.18 -0.43 4.88 3.20 -1.10 0.36 116.97 125.79 2jpu h TYR 11 Ca 0.16 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 2jpu h TYR 11 Cb 0.32 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2jpu h TYR 11 CO 0.02 0.89 -0.19 1.49 -1.64 0.00 0.00 178.16 178.73 2jpu h GLU 12 N 1.14 0.83 -0.16 1.82 4.81 -0.22 -0.43 114.58 122.38 2jpu h GLU 12 Ca 0.26 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2jpu h GLU 12 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jpu h GLU 12 CO -0.02 0.95 -0.43 0.93 -0.73 0.00 0.00 179.01 179.71 2jpu h GLU 13 N 0.73 0.38 -0.73 1.92 5.08 -0.80 0.21 114.58 121.37 2jpu h GLU 13 Ca 0.11 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jpu h GLU 13 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2jpu h GLU 13 CO 0.05 0.75 0.44 0.00 -1.00 0.00 0.00 179.01 179.25 2jpu h ALA 14 N 1.23 0.93 -0.29 3.43 0.00 -0.49 0.77 119.26 124.85 2jpu h ALA 14 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jpu h ALA 14 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jpu h ALA 14 CO 0.07 0.40 0.18 0.93 0.00 0.00 0.00 179.25 180.84 2jpu h GLU 15 N 1.00 0.38 0.23 0.00 4.39 -0.57 -1.24 114.58 118.76 2jpu h GLU 15 Ca 0.26 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2jpu h GLU 15 Cb -0.03 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2jpu h GLU 15 CO -0.05 0.28 -0.25 1.49 -1.16 0.00 0.00 179.01 179.32 2jpu h GLU 16 N 0.37 -0.50 -0.16 2.33 4.22 0.06 -0.53 114.58 120.37 2jpu h GLU 16 Ca 0.10 0.03 -0.14 0.00 0.08 0.00 0.00 59.36 59.43 2jpu h GLU 16 Cb -0.01 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jpu h GLU 16 CO -0.02 -0.33 -0.51 0.74 -2.18 0.00 0.00 179.01 176.70 2jpu h PHE 17 N -0.52 0.55 -0.40 0.92 0.04 -0.90 0.12 116.94 116.75 2jpu h PHE 17 Ca -0.00 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.54 2jpu h PHE 17 Cb 0.49 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2jpu h PHE 17 CO -0.17 0.86 0.04 1.25 -0.60 0.00 0.00 178.31 179.69 2jpu h LEU 18 N 0.35 0.57 -0.02 1.54 7.12 -0.99 0.26 115.31 124.14 2jpu h LEU 18 Ca 0.01 -0.11 -0.23 0.00 0.13 0.00 0.00 57.88 57.69 2jpu h LEU 18 Cb 1.02 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 2jpu h LEU 18 CO 0.09 0.62 -1.05 0.28 -0.13 0.00 0.00 178.44 178.25 2jpu h SER 19 N 0.59 0.16 -0.29 1.25 0.02 -0.78 -3.30 113.55 111.21 2jpu h SER 19 Ca 0.13 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 2jpu h SER 19 Cb 0.32 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2jpu h SER 19 CO 0.01 1.10 -0.31 0.50 -1.14 0.00 0.00 176.83 176.99 2jpu h LYS 20 N 0.04 0.72 0.00 3.45 3.64 -0.26 -3.47 116.57 120.68 2jpu h LYS 20 Ca -0.05 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2jpu h LYS 20 Cb 1.78 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2jpu h LYS 20 CO 0.15 1.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.75 2jpu n GLY 21 N 0.18 -0.46 3.87 5.01 0.00 0.61 -5.08 105.19 109.33 2jpu n GLY 21 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.25 6.50 -0.01 1.61 2.15 0.56 -4.97 116.67 122.26 2jpu s ASP 22 Ca 0.00 0.59 0.04 0.00 0.43 0.00 0.00 52.55 53.61 2jpu s ASP 22 Cb 0.00 -2.11 -0.06 0.00 -0.30 0.00 0.00 42.92 40.45 2jpu s ASP 22 CO 0.00 0.37 0.09 0.18 -0.17 0.00 0.00 175.17 175.64 2jpu n LEU 23 N 1.83 0.01 -0.00 -1.34 4.77 -1.26 -3.47 117.00 117.53 2jpu n LEU 23 Ca -0.17 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2jpu n LEU 23 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2jpu n LEU 23 CO 0.34 0.00 0.09 0.58 -1.33 0.00 0.00 177.39 177.07 2jpu h VAL 24 N 0.00 0.18 -0.08 4.08 2.07 -1.94 -2.40 116.25 118.16 2jpu h VAL 24 Ca 0.00 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.32 2jpu h VAL 24 Cb 0.17 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2jpu h VAL 24 CO 0.00 0.06 -0.67 1.56 0.02 0.00 0.00 177.57 178.54 2jpu h GLN 25 N -1.02 0.34 -0.84 1.57 4.20 -1.99 -2.70 115.11 114.67 2jpu h GLN 25 Ca -0.01 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.51 2jpu h GLN 25 Cb 0.18 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2jpu h GLN 25 CO 0.02 0.89 0.51 0.00 -0.67 0.00 0.00 178.83 179.57 2jpu h ALA 26 N 1.04 1.16 -0.35 3.87 0.00 -1.79 0.62 119.26 123.81 2jpu h ALA 26 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jpu h ALA 26 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jpu h ALA 26 CO 0.11 0.21 0.17 0.00 0.00 0.00 0.00 179.25 179.74 2jpu h GLU 28 N 0.43 0.34 0.30 0.00 4.57 -1.10 -1.53 114.58 117.57 2jpu h GLU 28 Ca 0.12 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2jpu h GLU 28 Cb 0.12 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2jpu h GLU 28 CO -0.01 0.52 -0.14 0.87 -1.18 0.00 0.00 179.01 179.07 2jpu h LYS 29 N 0.31 -0.38 0.00 1.92 6.56 -0.51 -1.72 116.57 122.75 2jpu h LYS 29 Ca 0.05 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2jpu h LYS 29 Cb 0.52 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2jpu h LYS 29 CO 0.03 -0.14 0.00 0.10 -2.06 0.00 0.00 179.45 177.39 2jpu h TYR 30 N -0.58 0.00 -0.21 -1.35 -0.00 -1.34 -0.55 116.97 112.94 2jpu h TYR 30 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.68 2jpu h TYR 30 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.15 2jpu h TYR 30 CO -0.01 0.00 0.09 -0.92 -0.00 0.00 0.00 178.16 177.33 2jpu h TYR 31 N 0.00 0.30 0.00 0.10 3.20 -1.11 -1.66 116.97 117.81 2jpu h TYR 31 Ca 0.00 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2jpu h TYR 31 Cb 0.65 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2jpu h TYR 31 CO 0.00 0.32 -0.48 0.87 -1.64 0.00 0.00 178.16 177.23 2jpu h LYS 32 N 0.20 0.00 -0.31 1.82 1.57 -0.70 -1.67 116.57 117.47 2jpu h LYS 32 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2jpu h LYS 32 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2jpu h LYS 32 CO -0.01 0.48 0.15 0.00 -0.57 0.00 0.00 179.45 179.50 2jpu h ALA 33 N 1.52 1.69 0.03 3.86 0.00 -0.90 -0.69 119.26 124.77 2jpu h ALA 33 Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2jpu h ALA 33 Cb 0.94 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jpu h ALA 33 CO 0.06 0.26 -0.69 0.00 0.00 0.00 0.00 179.25 178.88 2jpu h ALA 34 N 1.74 0.04 -0.39 0.00 0.00 -0.49 -2.73 119.26 117.43 2jpu h ALA 34 Ca 0.11 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2jpu h ALA 34 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jpu h ALA 34 CO -0.02 0.38 -0.16 1.05 0.00 0.00 0.00 179.25 180.51 2jpu h GLU 35 N -0.12 0.71 -0.55 0.00 4.11 -1.16 -2.31 114.58 115.26 2jpu h GLU 35 Ca -0.10 -0.25 -0.07 0.00 0.07 0.00 0.00 59.36 59.02 2jpu h GLU 35 Cb 1.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2jpu h GLU 35 CO 0.13 0.83 0.06 1.49 0.07 0.00 0.00 179.01 181.60 2jpu h GLU 36 N 0.64 0.89 -0.62 1.06 4.57 -1.21 -1.97 114.58 117.94 2jpu h GLU 36 Ca 0.10 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2jpu h GLU 36 Cb 0.63 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2jpu h GLU 36 CO 0.04 0.84 0.38 0.00 -1.18 0.00 0.00 179.01 179.09 2jpu h ALA 37 N 1.23 0.80 -0.52 2.92 0.00 -1.10 0.40 119.26 122.99 2jpu h ALA 37 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jpu h ALA 37 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2jpu h ALA 37 CO 0.01 0.12 0.32 0.82 0.00 0.00 0.00 179.25 180.52 2jpu h ILE 38 N 0.74 1.08 -0.23 0.00 1.08 -1.07 -0.85 117.51 118.26 2jpu h ILE 38 Ca 0.25 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 2jpu h ILE 38 Cb 0.02 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 2jpu h ILE 38 CO -0.10 0.12 -0.11 0.50 -0.69 0.00 0.00 178.15 177.87 2jpu h LYS 39 N 0.64 -0.07 0.04 2.37 3.11 -0.59 -1.19 116.57 120.88 2jpu h LYS 39 Ca 0.20 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.07 2jpu h LYS 39 Cb -0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 2jpu h LYS 39 CO -0.08 -0.05 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.24 2jpu h LEU 40 N -0.08 -0.59 -0.64 5.20 4.07 -0.50 -2.76 115.31 120.01 2jpu h LEU 40 Ca 0.12 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.22 2jpu h LEU 40 Cb 0.26 0.24 -0.06 0.00 1.08 0.00 0.00 40.66 42.18 2jpu h LEU 40 CO -0.28 -0.28 0.34 -0.07 -1.08 0.00 0.00 178.44 177.08 2jpu h LEU 41 N -0.35 0.49 -1.10 1.67 4.07 -0.81 -2.34 115.31 116.95 2jpu h LEU 41 Ca 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2jpu h LEU 41 Cb 0.40 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 2jpu h LEU 41 CO -0.16 0.32 0.41 0.58 -1.08 0.00 0.00 178.44 178.51 2jpu h VAL 42 N 0.63 1.22 0.11 1.22 2.07 -1.08 -1.57 116.25 118.85 2jpu h VAL 42 Ca 0.29 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jpu h VAL 42 Cb 0.21 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2jpu h VAL 42 CO -0.20 0.25 -0.06 0.40 0.02 0.00 0.00 177.57 177.99 2jpu h ILE 43 N 1.05 1.03 -0.14 4.57 1.08 -1.13 0.54 117.51 124.51 2jpu h ILE 43 Ca 0.27 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 2jpu h ILE 43 Cb 0.02 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2jpu h ILE 43 CO -0.04 0.14 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.30 2jpu h GLU 44 N -0.42 0.36 0.00 2.37 4.22 -1.42 -3.11 114.58 116.57 2jpu h GLU 44 Ca -0.02 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2jpu h GLU 44 Cb 0.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jpu h GLU 44 CO 0.03 0.78 0.00 -0.91 -2.18 0.00 0.00 179.01 176.72 2jpu h ASN 45 N -0.03 0.00 -4.59 1.04 2.35 -1.37 -3.49 115.58 109.50 2jpu h ASN 45 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2jpu h ASN 45 Cb 0.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2jpu h ASN 45 CO 0.04 0.00 -0.79 -3.20 -1.65 0.00 0.00 177.43 171.83 2jpu n ASN 46 N -2.40 -5.98 -4.22 5.81 5.15 0.16 -4.99 115.26 108.79 2jpu n ASN 46 Ca 0.05 1.08 -0.41 0.00 -0.60 0.00 0.00 54.58 54.69 2jpu n ASN 46 Cb 0.42 -4.26 -0.07 0.00 -0.53 0.00 0.00 39.78 35.34 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 -1.16 5.82 0.18 1.20 1.43 -1.06 -4.97 118.68 120.13 2jpu s LEU 47 Ca -0.02 -2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 50.78 2jpu s LEU 47 Cb 0.00 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.29 2jpu s LEU 47 CO 0.59 -0.63 1.83 0.50 0.23 0.00 0.00 176.35 178.86 2jpu h LYS 48 N 8.15 0.83 -0.96 1.70 3.64 -1.94 -0.96 116.57 127.03 2jpu h LYS 48 Ca -0.14 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2jpu h LYS 48 Cb 1.05 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.62 2jpu h LYS 48 CO 0.83 0.58 0.60 1.49 -2.27 0.00 0.00 179.45 180.69 2jpu h GLU 49 N 0.83 1.04 -0.02 1.90 4.22 -1.99 0.57 114.58 121.12 2jpu h GLU 49 Ca 0.22 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.55 2jpu h GLU 49 Cb -0.04 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.98 2jpu h GLU 49 CO -0.04 0.69 -0.19 0.82 -2.18 0.00 0.00 179.01 178.11 2jpu h ILE 50 N 1.07 1.51 0.00 2.32 5.03 -1.83 -3.14 117.51 122.47 2jpu h ILE 50 Ca 0.43 -1.78 -0.06 0.00 -0.12 0.00 0.00 64.86 63.33 2jpu h ILE 50 Cb 0.24 2.61 -0.01 0.00 -3.03 0.00 0.00 36.82 36.63 2jpu h ILE 50 CO -0.19 0.49 -0.27 0.71 -0.68 0.00 0.00 178.15 178.21 2jpu h THR 51 N -0.47 1.18 0.00 -0.27 1.35 -0.82 -0.99 112.91 112.89 2jpu h THR 51 Ca -0.02 -0.91 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 2jpu h THR 51 Cb 0.89 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2jpu h THR 51 CO 0.04 0.26 -0.47 0.78 -0.25 0.00 0.00 175.52 175.88 2jpu h ASN 52 N 0.00 0.00 0.95 5.36 2.35 -0.96 -2.04 115.58 121.24 2jpu h ASN 52 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2jpu h ASN 52 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2jpu h ASN 52 CO 0.03 0.47 -0.26 0.78 -1.65 0.00 0.00 177.43 176.81 2jpu h ASN 53 N 0.00 0.00 0.97 5.81 -0.26 -1.14 -1.97 115.58 119.00 2jpu h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2jpu h ASN 53 Cb 0.84 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 2jpu h ASN 53 CO 0.06 0.26 0.00 0.52 -1.06 0.00 0.00 177.43 177.21 2jpu n VAL 54 N -3.41 0.21 0.54 2.81 0.31 -0.79 -2.13 118.33 115.88 2jpu n VAL 54 Ca 0.00 0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.47 2jpu n VAL 54 Cb 0.46 -0.59 0.30 0.00 -0.91 0.00 0.00 33.84 33.10 2jpu n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2jpu h LYS 55 N 0.00 0.00 0.00 5.55 1.57 -1.08 -3.38 116.57 119.23 2jpu h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jpu h LYS 55 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2jpu h LYS 55 CO 0.00 0.00 -0.15 -0.97 -0.57 0.00 0.00 179.45 177.76 2jpu h ASN 56 N 0.00 0.00 -1.14 0.86 -0.00 -1.45 -3.49 115.58 110.37 2jpu h ASN 56 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 56.30 55.81 2jpu h ASN 56 Cb 0.78 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.10 2jpu h ASN 56 CO 0.00 0.41 -0.26 -0.54 -0.00 0.00 0.00 177.43 177.04 2jpu s LYS 57 N -1.57 2.49 0.00 6.67 1.02 -1.21 -5.01 119.74 122.13 2jpu s LYS 57 Ca -0.04 -1.58 0.20 0.00 0.02 0.00 0.00 55.97 54.57 2jpu s LYS 57 Cb 0.01 -2.49 0.58 0.00 -0.52 0.00 0.00 37.83 35.41 2jpu s LYS 57 CO 0.06 -0.46 1.46 0.41 -0.92 0.00 0.00 175.35 175.90 2jpu n GLY 58 N -1.84 0.89 3.42 -3.33 0.00 -1.26 -4.78 105.19 98.30 2jpu n GLY 58 Ca 0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.62 1.90 0.00 1.61 6.06 -1.26 -5.01 118.95 120.64 2jpu s ARG 59 Ca 0.34 -1.07 0.15 0.00 -2.50 0.00 0.00 55.73 52.64 2jpu s ARG 59 Cb 0.19 -2.10 0.89 0.00 0.06 0.00 0.00 34.95 33.99 2jpu s ARG 59 CO 0.27 0.52 1.35 1.87 -2.50 0.00 0.00 175.30 176.80 2jpu n TRP 60 N 1.46 0.00 -2.05 5.12 -0.00 -1.26 -4.80 117.44 115.90 2jpu n TRP 60 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 2jpu n TRP 60 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 2jpu n TRP 60 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2jpu n LYS 61 N -0.87 -5.32 0.22 5.87 5.02 -1.26 -4.33 118.16 117.50 2jpu n LYS 61 Ca 0.11 3.80 0.07 0.00 -2.02 0.00 0.00 58.31 60.27 2jpu n LYS 61 Cb 0.05 -4.18 0.59 0.00 -0.02 0.00 0.00 35.03 31.48 2jpu n LYS 61 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jpu h SER 62 N 4.14 0.05 0.35 4.39 4.64 -2.01 -0.71 113.55 124.41 2jpu h SER 62 Ca 0.00 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2jpu h SER 62 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2jpu h SER 62 CO 0.00 0.07 -0.30 1.05 -0.87 0.00 0.00 176.83 176.78 2jpu h GLU 63 N 0.06 0.00 -0.13 4.77 4.11 -2.00 -2.52 114.58 118.88 2jpu h GLU 63 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.29 2jpu h GLU 63 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jpu h GLU 63 CO 0.00 0.30 -0.58 -0.91 0.07 0.00 0.00 179.01 177.88 2jpu h ASN 64 N 0.00 0.46 -0.57 3.06 2.35 -1.32 0.75 115.58 120.31 2jpu h ASN 64 Ca -0.00 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2jpu h ASN 64 Cb 0.55 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 2jpu h ASN 64 CO 0.04 0.94 0.13 -0.07 -1.65 0.00 0.00 177.43 176.81 2jpu h LEU 65 N 0.31 0.90 -0.24 1.61 3.38 -1.30 0.21 115.31 120.18 2jpu h LEU 65 Ca -0.00 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 2jpu h LEU 65 Cb 1.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jpu h LEU 65 CO 0.10 0.89 -0.57 0.15 0.09 0.00 0.00 178.44 179.10 2jpu h PHE 66 N 0.91 1.02 0.06 1.13 3.57 -1.29 -2.26 116.94 120.08 2jpu h PHE 66 Ca 0.19 -0.39 0.01 0.00 3.53 0.00 0.00 57.97 61.32 2jpu h PHE 66 Cb 0.36 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2jpu h PHE 66 CO 0.02 1.21 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.96 2jpu h LYS 67 N 0.55 -0.23 -0.51 1.11 3.64 -0.42 -1.04 116.57 119.67 2jpu h LYS 67 Ca -0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2jpu h LYS 67 Cb 1.18 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2jpu h LYS 67 CO 0.12 -0.16 0.26 0.00 -2.27 0.00 0.00 179.45 177.40 2jpu h ALA 68 N 0.67 0.65 -0.25 5.00 0.00 -0.62 -1.09 119.26 123.61 2jpu h ALA 68 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jpu h ALA 68 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jpu h ALA 68 CO -0.09 -0.09 0.05 0.77 0.00 0.00 0.00 179.25 179.90 2jpu h SER 69 N 0.50 0.33 -0.03 0.00 0.02 -1.10 0.28 113.55 113.55 2jpu h SER 69 Ca 0.22 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2jpu h SER 69 Cb 0.13 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2jpu h SER 69 CO -0.16 0.34 -0.01 0.50 -1.14 0.00 0.00 176.83 176.37 2jpu h LYS 70 N 0.36 0.05 -0.57 3.45 3.11 -0.40 -2.19 116.57 120.39 2jpu h LYS 70 Ca 0.09 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2jpu h LYS 70 Cb 0.16 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2jpu h LYS 70 CO -0.00 0.41 0.22 -0.07 -2.81 0.00 0.00 179.45 177.20 2jpu h LEU 71 N -0.31 0.78 -0.15 5.20 3.38 -0.67 -2.54 115.31 121.01 2jpu h LEU 71 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jpu h LEU 71 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jpu h LEU 71 CO 0.00 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.46 2jpu n LEU 72 N -4.49 0.21 0.28 1.67 4.77 0.95 -2.45 117.00 117.94 2jpu n LEU 72 Ca 0.03 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 2jpu n LEU 72 Cb 0.17 -0.50 0.81 0.00 -2.33 0.00 0.00 43.42 41.56 2jpu n LEU 72 CO 0.39 -0.27 1.05 -0.09 -1.33 0.00 0.00 177.39 177.14 2jpu h ARG 73 N 0.00 0.00 -0.11 3.23 1.12 -0.94 -0.15 114.38 117.54 2jpu h ARG 73 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2jpu h ARG 73 Cb 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 2jpu h ARG 73 CO 0.00 0.06 -0.27 1.03 -3.11 0.00 0.00 179.97 177.68 2jpu h SER 74 N 0.00 0.20 0.00 -3.80 0.87 -1.64 -3.12 113.55 106.06 2jpu h SER 74 Ca -0.00 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 2jpu h SER 74 Cb 0.15 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2jpu h SER 74 CO 0.01 0.47 -0.54 -1.13 -0.53 0.00 0.00 176.83 175.11 2jpu h ASN 75 N 0.18 0.00 -3.25 6.23 -0.73 -1.30 -3.46 115.58 113.26 2jpu h ASN 75 Ca 0.03 -0.53 -0.40 0.00 1.87 0.00 0.00 56.30 57.27 2jpu h ASN 75 Cb 0.58 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.78 2jpu h ASN 75 CO 0.04 1.07 -0.74 0.21 -0.37 0.00 0.00 177.43 177.64 2jpu s ASN 76 N -6.28 1.47 0.00 1.15 3.84 -0.32 -5.02 114.94 109.78 2jpu s ASN 76 Ca -0.19 -0.10 0.23 0.00 0.21 0.00 0.00 52.86 53.00 2jpu s ASN 76 Cb 0.01 -0.19 1.09 0.00 -0.55 0.00 0.00 41.25 41.62 2jpu s ASN 76 CO 0.48 -0.27 1.74 1.07 -2.79 0.00 0.00 177.10 177.33 2jpu n THR 77 N 5.28 0.34 0.03 -5.21 5.66 -1.18 -2.99 114.28 116.22 2jpu n THR 77 Ca -0.04 0.08 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 2jpu n THR 77 Cb 0.50 -0.71 -0.13 0.00 -1.55 0.00 0.00 70.33 68.44 2jpu n THR 77 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2jpu h GLU 78 N 0.00 0.02 -0.14 1.09 5.08 -1.93 -3.38 114.58 115.31 2jpu h GLU 78 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2jpu h GLU 78 Cb 0.27 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 2jpu h GLU 78 CO 0.00 0.84 -0.40 0.82 -1.00 0.00 0.00 179.01 179.27 2jpu h ILE 79 N 0.00 0.17 -0.37 3.13 2.04 -1.89 0.95 117.51 121.55 2jpu h ILE 79 Ca -0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2jpu h ILE 79 Cb 1.87 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2jpu h ILE 79 CO 0.12 0.00 0.25 1.55 0.00 0.00 0.00 178.15 180.07 2jpu h PRO 80 N -0.47 0.21 -0.11 2.37 0.13 -1.74 -0.34 132.00 132.05 2jpu h PRO 80 Ca 0.08 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.98 2jpu h PRO 80 Cb 0.61 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.70 2jpu h PRO 80 CO -0.39 0.14 -0.79 0.82 -0.23 0.00 0.00 178.00 177.54 2jpu h ILE 81 N 0.22 1.31 -0.38 -3.56 2.04 -1.39 -0.36 117.51 115.39 2jpu h ILE 81 Ca 0.16 -2.07 -0.07 0.00 1.00 0.00 0.00 64.86 63.89 2jpu h ILE 81 Cb 0.37 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2jpu h ILE 81 CO -0.03 0.64 -0.02 -0.07 0.00 0.00 0.00 178.15 178.67 2jpu h LEU 82 N 0.44 0.67 -0.32 1.44 3.38 0.13 -1.04 115.31 120.01 2jpu h LEU 82 Ca -0.05 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2jpu h LEU 82 Cb 1.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2jpu h LEU 82 CO 0.15 0.83 0.19 -0.25 0.09 0.00 0.00 178.44 179.45 2jpu h TRP 83 N 0.49 0.42 -0.66 1.13 2.91 -1.10 -2.40 115.95 116.75 2jpu h TRP 83 Ca 0.10 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.21 2jpu h TRP 83 Cb 0.50 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 28.94 2jpu h TRP 83 CO 0.04 0.31 0.31 -0.22 -1.03 0.00 0.00 178.44 177.85 2jpu h LYS 84 N 0.41 0.52 -0.48 2.65 3.11 -0.84 0.23 116.57 122.17 2jpu h LYS 84 Ca 0.11 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 2jpu h LYS 84 Cb 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.10 2jpu h LYS 84 CO -0.02 0.34 0.25 0.77 -2.81 0.00 0.00 179.45 177.98 2jpu h SER 85 N 0.53 0.61 -0.44 4.20 0.02 -0.94 0.19 113.55 117.72 2jpu h SER 85 Ca 0.32 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 2jpu h SER 85 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2jpu h SER 85 CO -0.27 0.54 -0.20 0.00 -1.14 0.00 0.00 176.83 175.77 2jpu h ALA 86 N 1.09 0.75 -0.79 3.77 0.00 -0.90 -2.78 119.26 120.41 2jpu h ALA 86 Ca 0.17 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2jpu h ALA 86 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2jpu h ALA 86 CO -0.02 0.66 0.51 2.35 0.00 0.00 0.00 179.25 182.75 2jpu h TRP 87 N 0.82 0.95 -0.39 0.00 2.91 -0.17 -2.39 115.95 117.68 2jpu h TRP 87 Ca 0.11 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.20 2jpu h TRP 87 Cb 0.76 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.05 2jpu h TRP 87 CO 0.05 0.56 0.13 1.15 -1.03 0.00 0.00 178.44 179.30 2jpu h THR 88 N 1.00 0.87 -0.59 2.65 2.02 -0.36 -0.43 112.91 118.08 2jpu h THR 88 Ca 0.31 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 2jpu h THR 88 Cb -0.03 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2jpu h THR 88 CO -0.10 0.05 0.04 -0.07 0.37 0.00 0.00 175.52 175.82 2jpu h LEU 89 N 0.28 0.98 -0.33 2.58 3.38 -1.34 -1.08 115.31 119.78 2jpu h LEU 89 Ca 0.18 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2jpu h LEU 89 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jpu h LEU 89 CO -0.19 1.02 0.11 -0.74 0.09 0.00 0.00 178.44 178.73 2jpu h HIS 90 N 0.91 0.53 -0.05 1.13 2.76 -0.99 -0.82 115.15 118.61 2jpu h HIS 90 Ca 0.17 -0.05 -0.23 0.00 -2.20 0.00 0.00 60.37 58.06 2jpu h HIS 90 Cb 0.49 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.31 2jpu h HIS 90 CO 0.04 0.53 -0.88 0.28 -1.30 0.00 0.00 177.93 176.59 2jpu h VAL 91 N 0.38 1.33 0.00 5.26 2.07 -0.97 -3.33 116.25 120.99 2jpu h VAL 91 Ca 0.11 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2jpu h VAL 91 Cb 0.24 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2jpu h VAL 91 CO -0.00 0.68 -1.18 1.21 0.02 0.00 0.00 177.57 178.30 2jpu n GLU 92 N -3.84 0.33 -2.74 1.57 4.07 -0.42 -4.68 120.64 114.93 2jpu n GLU 92 Ca -0.07 -0.03 -0.43 0.00 -0.06 0.00 0.00 57.16 56.57 2jpu n GLU 92 Cb 0.80 -1.59 -0.01 0.00 -0.06 0.00 0.00 31.44 30.59 2jpu n GLU 92 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2jpu s GLY 93 N -3.76 1.91 0.00 8.31 0.00 -0.32 -4.77 107.32 108.69 2jpu s GLY 93 Ca 0.02 -3.00 0.00 0.00 0.00 0.00 0.00 44.72 41.74 2jpu s GLY 93 CO 0.83 2.42 0.00 0.69 0.00 0.00 0.00 173.10 177.04 2jpu n PHE 94 N 7.30 0.00 0.07 1.90 3.72 -1.25 -4.94 117.46 124.25 2jpu n PHE 94 Ca 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2jpu n PHE 94 Cb 0.46 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.82 -1.12 -0.06 1.38 -0.00 -1.26 -4.92 115.22 108.41 2jpu n HIS 95 Ca 0.00 0.20 -0.02 0.00 -0.00 0.00 0.00 57.72 57.90 2jpu n HIS 95 Cb 0.00 0.48 -0.16 0.00 -0.00 0.00 0.00 29.99 30.31 2jpu n HIS 95 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2jpu n GLU 96 N -3.02 0.76 -2.34 1.57 0.28 -1.26 -4.57 120.64 112.06 2jpu n GLU 96 Ca 0.00 -0.08 -0.43 0.00 -0.16 0.00 0.00 57.16 56.49 2jpu n GLU 96 Cb 0.03 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.41 2jpu n GLU 96 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jpu n LEU 97 N -2.52 6.14 -1.67 -1.84 7.99 -1.26 -4.70 117.00 119.14 2jpu n LEU 97 Ca -0.21 -4.35 -0.02 0.00 -0.01 0.00 0.00 56.01 51.42 2jpu n LEU 97 Cb 0.90 -1.60 0.25 0.00 -0.11 0.00 0.00 43.42 42.86 2jpu n LEU 97 CO 0.42 0.97 0.84 -1.20 -1.51 0.00 0.00 177.39 176.91 2jpu n SER 98 N 5.58 4.23 -0.00 -1.43 7.64 -1.26 -3.83 113.62 124.55 2jpu n SER 98 Ca 0.44 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2jpu n SER 98 Cb 0.40 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.08 0.00 -4.53 -3.43 7.99 -1.26 -4.83 117.00 111.01 2jpu n LEU 99 Ca 0.29 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 56.03 2jpu n LEU 99 Cb 1.10 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 44.32 2jpu n LEU 99 CO 0.31 -0.12 -0.43 0.20 -1.51 0.00 0.00 177.39 175.84 2jpu s ASN 100 N -4.00 4.01 0.48 -1.43 0.01 -1.26 -5.02 114.94 107.73 2jpu s ASN 100 Ca 0.00 -0.74 0.20 0.00 -0.71 0.00 0.00 52.86 51.61 2jpu s ASN 100 Cb 0.00 -0.56 1.21 0.00 0.41 0.00 0.00 41.25 42.31 2jpu s ASN 100 CO 0.00 0.07 2.03 -0.08 -1.51 0.00 0.00 177.10 177.62 2jpu h GLU 101 N 2.64 0.00 -0.48 -0.60 4.81 -2.00 -2.54 114.58 116.41 2jpu h GLU 101 Ca -0.45 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2jpu h GLU 101 Cb 1.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2jpu h GLU 101 CO 0.55 0.15 0.13 -0.22 -0.73 0.00 0.00 179.01 178.90 2jpu h LYS 102 N 0.00 0.27 -0.02 1.92 3.64 -2.00 -1.53 116.57 118.85 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 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2jpu h LYS 102 CO 0.02 0.18 -0.75 0.93 -2.27 0.00 0.00 179.45 177.56 2jpu h GLU 103 N 0.28 0.17 -0.55 1.90 4.39 -1.88 -3.07 114.58 115.81 2jpu h GLU 103 Ca 0.23 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jpu h GLU 103 Cb 0.28 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2jpu h GLU 103 CO -0.28 0.84 0.33 0.28 -1.16 0.00 0.00 179.01 179.03 2jpu h VAL 104 N 0.11 1.16 0.00 3.13 2.07 -1.24 0.10 116.25 121.58 2jpu h VAL 104 Ca -0.02 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2jpu h VAL 104 Cb 1.32 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2jpu h VAL 104 CO 0.11 0.17 -0.21 0.11 0.02 0.00 0.00 177.57 177.77 2jpu h LYS 105 N 0.74 0.00 0.03 1.57 1.79 -1.30 -0.17 116.57 119.23 2jpu h LYS 105 Ca 0.20 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2jpu h LYS 105 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2jpu h LYS 105 CO -0.04 0.21 -0.01 0.87 -1.08 0.00 0.00 179.45 179.40 2jpu h LYS 106 N 0.00 -0.04 -0.52 3.15 1.57 -1.22 -3.15 116.57 116.36 2jpu h LYS 106 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2jpu h LYS 106 Cb 0.41 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2jpu h LYS 106 CO 0.03 0.63 0.11 -0.07 -0.57 0.00 0.00 179.45 179.58 2jpu h LEU 107 N -0.78 0.76 -1.53 2.94 -0.00 -0.67 -1.50 115.31 114.53 2jpu h LEU 107 Ca -0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2jpu h LEU 107 Cb 0.69 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2jpu h LEU 107 CO 0.01 0.76 0.24 0.50 -0.00 0.00 0.00 178.44 179.95 2jpu h LYS 108 N 0.78 0.56 0.02 1.13 3.11 -1.13 0.35 116.57 121.40 2jpu h LYS 108 Ca 0.17 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.72 2jpu h LYS 108 Cb 0.32 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2jpu h LYS 108 CO 0.00 0.40 -1.01 0.93 -2.81 0.00 0.00 179.45 176.97 2jpu h GLU 109 N 0.57 0.47 0.00 1.90 4.39 -1.36 -2.44 114.58 118.12 2jpu h GLU 109 Ca 0.15 -0.53 -0.11 0.00 0.34 0.00 0.00 59.36 59.21 2jpu h GLU 109 Cb -0.01 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2jpu h GLU 109 CO -0.03 1.18 -0.54 -0.44 -1.16 0.00 0.00 179.01 178.02 2jpu h ASP 110 N 0.25 0.00 0.29 1.42 3.32 -0.39 -2.50 116.42 118.81 2jpu h ASP 110 Ca -0.10 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 2jpu h ASP 110 Cb 1.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 2jpu h ASP 110 CO 0.18 0.54 -0.68 0.58 -1.72 0.00 0.00 179.24 178.14 2jpu h VAL 111 N 0.00 1.38 -0.70 -1.35 2.07 -0.38 -3.03 116.25 114.24 2jpu h VAL 111 Ca -0.01 -2.08 0.05 0.00 0.82 0.00 0.00 66.70 65.49 2jpu h VAL 111 Cb 1.22 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 2jpu h VAL 111 CO 0.07 0.62 0.46 -0.09 0.02 0.00 0.00 177.57 178.65 2jpu h ARG 112 N 0.25 0.73 -0.23 1.57 2.43 -1.01 0.15 114.38 118.28 2jpu h ARG 112 Ca -0.02 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2jpu h ARG 112 Cb 1.23 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2jpu h ARG 112 CO 0.11 0.49 -0.10 0.87 -1.51 0.00 0.00 179.97 179.83 2jpu h LYS 113 N 0.76 -0.06 -0.45 0.20 1.79 -1.36 -0.54 116.57 116.91 2jpu h LYS 113 Ca 0.29 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.69 2jpu h LYS 113 Cb 0.20 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2jpu h LYS 113 CO -0.09 -0.04 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.16 2jpu h LEU 114 N -0.06 0.79 -0.29 2.94 4.07 -1.18 -2.75 115.31 118.83 2jpu h LEU 114 Ca 0.12 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2jpu h LEU 114 Cb 0.24 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2jpu h LEU 114 CO -0.27 0.91 0.13 0.58 -1.08 0.00 0.00 178.44 178.71 2jpu h VAL 115 N 0.65 1.16 -0.78 1.22 2.07 -0.45 0.14 116.25 120.26 2jpu h VAL 115 Ca 0.13 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2jpu h VAL 115 Cb 0.51 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2jpu h VAL 115 CO 0.02 0.16 0.51 0.40 0.02 0.00 0.00 177.57 178.69 2jpu h ILE 116 N 0.33 1.06 0.12 4.57 2.04 -1.09 -0.92 117.51 123.61 2jpu h ILE 116 Ca 0.10 -0.30 -0.28 0.00 1.00 0.00 0.00 64.86 65.38 2jpu h ILE 116 Cb 0.14 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2jpu h ILE 116 CO -0.01 0.16 -1.21 0.15 0.00 0.00 0.00 178.15 177.23 2jpu h PHE 117 N 0.87 0.66 -0.02 1.37 3.57 -1.09 0.89 116.94 123.18 2jpu h PHE 117 Ca 0.33 -0.44 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 2jpu h PHE 117 Cb 0.19 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2jpu h PHE 117 CO -0.00 1.32 0.01 0.00 -2.23 0.00 0.00 178.31 177.40 2jpu h ALA 118 N 0.52 0.03 -0.15 2.41 0.00 -0.40 -0.82 119.26 120.84 2jpu h ALA 118 Ca -0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2jpu h ALA 118 Cb 1.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2jpu h ALA 118 CO 0.21 -0.37 -0.23 0.28 0.00 0.00 0.00 179.25 179.13 2jpu h VAL 119 N -0.16 1.24 -0.25 0.00 2.07 -1.19 -2.04 116.25 115.90 2jpu h VAL 119 Ca 0.01 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2jpu h VAL 119 Cb 0.20 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2jpu h VAL 119 CO -0.00 0.34 -0.04 -1.13 0.02 0.00 0.00 177.57 176.75 2jpu h ASN 120 N 0.25 0.36 0.87 0.57 -0.73 -0.57 0.24 115.58 116.58 2jpu h ASN 120 Ca 0.04 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.10 2jpu h ASN 120 Cb 0.56 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 2jpu h ASN 120 CO 0.04 0.46 -0.24 -1.28 -0.37 0.00 0.00 177.43 176.04 2jpu h SER 121 N 0.37 0.00 0.11 1.15 0.87 -0.42 0.21 113.55 115.84 2jpu h SER 121 Ca 0.08 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.35 2jpu h SER 121 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2jpu h SER 121 CO 0.01 0.24 -1.52 0.25 -0.53 0.00 0.00 176.83 175.29 2jpu h LEU 122 N 0.00 0.36 -0.89 2.23 5.85 -0.95 -2.67 115.31 119.25 2jpu h LEU 122 Ca -0.00 -0.84 -0.09 0.00 0.84 0.00 0.00 57.88 57.79 2jpu h LEU 122 Cb 0.74 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2jpu h LEU 122 CO 0.03 1.66 -0.15 -0.33 -0.34 0.00 0.00 178.44 179.31 2jpu h GLU 123 N -0.29 0.66 -1.89 1.25 5.08 -0.51 -3.23 114.58 115.65 2jpu h GLU 123 Ca -0.33 -0.22 -0.60 0.00 -1.00 0.00 0.00 59.36 57.21 2jpu h GLU 123 Cb 1.78 -0.05 -0.41 0.00 0.50 0.00 0.00 28.75 30.56 2jpu h GLU 123 CO 0.04 0.78 -0.62 1.58 -1.00 0.00 0.00 179.01 179.79 2jpu n HIS 124 N -4.16 3.69 0.21 4.33 -0.00 0.72 -4.86 115.22 115.14 2jpu n HIS 124 Ca 0.01 -3.48 0.00 0.00 0.46 0.00 0.00 57.72 54.71 2jpu n HIS 124 Cb 0.37 -0.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2jpu n HIS 124 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jpu n HIS 125 N -0.37 0.00 -3.42 1.57 1.44 -1.00 -4.11 115.22 109.33 2jpu n HIS 125 Ca 0.36 -0.59 -0.26 0.00 -2.01 0.00 0.00 57.72 55.22 2jpu n HIS 125 Cb 0.52 -0.33 -0.09 0.00 0.12 0.00 0.00 29.99 30.21 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 1.10 0.29 -2.74 -1.40 -0.00 -1.26 -5.08 115.22 106.13 2jpu n HIS 126 Ca 0.00 -3.61 -0.42 0.00 -0.00 0.00 0.00 57.72 53.69 2jpu n HIS 126 Cb 0.39 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.24 2jpu n HIS 126 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jpu s HIS 127 N -0.75 3.42 -0.06 1.57 3.76 -1.26 -5.01 115.29 116.96 2jpu s HIS 127 Ca 0.33 1.44 -0.24 0.00 -0.15 0.00 0.00 55.06 56.43 2jpu s HIS 127 Cb 0.07 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 2jpu s HIS 127 CO -0.15 -0.33 0.74 -1.58 -0.85 0.00 0.00 174.74 172.57 2jpu s HIS 128 N 2.51 3.58 -2.58 1.40 5.04 -1.26 -5.22 115.29 118.77 2jpu s HIS 128 Ca 0.43 1.31 0.27 0.00 -1.54 0.00 0.00 55.06 55.54 2jpu s HIS 128 Cb -0.17 -2.85 0.92 0.00 0.04 0.00 0.00 32.58 30.52 2jpu s HIS 128 CO 0.12 0.07 1.67 0.72 -2.34 0.00 0.00 174.74 174.97