#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu n SER 2 N 0.00 1.12 -4.82 6.12 7.64 -1.26 -5.10 113.62 117.33 2jpu n SER 2 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2jpu n SER 2 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2jpu n SER 2 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2jpu s ILE 3 N -1.67 3.72 -0.33 0.44 -4.36 -1.26 -5.06 121.20 112.69 2jpu s ILE 3 Ca 0.00 0.56 0.06 0.00 -0.26 0.00 0.00 60.65 61.01 2jpu s ILE 3 Cb 0.00 -3.31 0.19 0.00 1.25 0.00 0.00 42.46 40.59 2jpu s ILE 3 CO 0.00 -0.73 0.59 -0.44 0.24 0.00 0.00 174.94 174.60 2jpu s SER 4 N -3.85 -1.47 0.55 4.36 0.01 -1.26 -5.16 113.70 106.88 2jpu s SER 4 Ca 0.59 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 2jpu s SER 4 Cb -0.14 1.95 -0.06 0.00 0.21 0.00 0.00 66.02 67.98 2jpu s SER 4 CO 0.55 -0.26 1.02 0.42 0.41 0.00 0.00 173.24 175.37 2jpu s THR 5 N 2.50 4.24 0.27 1.44 -4.23 -1.26 -4.96 115.64 113.64 2jpu s THR 5 Ca 0.12 1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 2jpu s THR 5 Cb -0.08 -3.59 0.15 0.00 1.34 0.00 0.00 72.50 70.32 2jpu s THR 5 CO -0.20 -0.62 1.81 0.77 -0.54 0.00 0.00 174.62 175.84 2jpu h SER 6 N 0.72 0.82 -0.02 3.99 4.64 -1.98 -2.67 113.55 119.05 2jpu h SER 6 Ca -0.47 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 60.71 2jpu h SER 6 Cb 1.20 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2jpu h SER 6 CO 0.60 0.80 -0.06 0.00 -0.87 0.00 0.00 176.83 177.30 2jpu h ALA 7 N 1.30 -0.05 -0.29 5.18 0.00 -1.88 -0.55 119.26 122.97 2jpu h ALA 7 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2jpu h ALA 7 Cb 0.31 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jpu h ALA 7 CO -0.00 -0.55 -0.18 1.05 0.00 0.00 0.00 179.25 179.57 2jpu h GLU 8 N -0.10 0.52 -0.03 0.00 4.11 -1.88 0.94 114.58 118.14 2jpu h GLU 8 Ca 0.03 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2jpu h GLU 8 Cb 0.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jpu h GLU 8 CO -0.08 0.68 0.01 0.28 0.07 0.00 0.00 179.01 179.97 2jpu h VAL 9 N 0.47 1.18 0.00 -1.06 2.07 -1.11 -0.23 116.25 117.57 2jpu h VAL 9 Ca 0.08 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2jpu h VAL 9 Cb 0.58 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2jpu h VAL 9 CO 0.04 0.15 -0.46 1.88 0.02 0.00 0.00 177.57 179.20 2jpu h TYR 10 N -0.16 0.00 -0.45 1.57 0.05 -0.95 -1.78 116.97 115.24 2jpu h TYR 10 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2jpu h TYR 10 Cb 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2jpu h TYR 10 CO 0.00 0.46 0.16 -0.92 -1.05 0.00 0.00 178.16 176.81 2jpu h TYR 11 N 0.00 0.71 -0.10 4.88 3.20 -0.59 -2.16 116.97 122.91 2jpu h TYR 11 Ca -0.00 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 2jpu h TYR 11 Cb 0.84 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2jpu h TYR 11 CO 0.00 0.62 -0.39 1.49 -1.64 0.00 0.00 178.16 178.24 2jpu h GLU 12 N 0.59 0.22 -0.44 1.82 4.81 -0.68 -1.98 114.58 118.91 2jpu h GLU 12 Ca 0.15 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2jpu h GLU 12 Cb 0.23 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2jpu h GLU 12 CO -0.01 0.58 0.18 0.93 -0.73 0.00 0.00 179.01 179.96 2jpu h GLU 13 N 0.19 0.63 -0.55 1.92 4.39 -1.08 0.46 114.58 120.53 2jpu h GLU 13 Ca 0.02 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2jpu h GLU 13 Cb 0.78 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2jpu h GLU 13 CO 0.06 0.52 0.16 0.00 -1.16 0.00 0.00 179.01 178.59 2jpu h ALA 14 N 1.58 0.72 -0.26 3.43 0.00 -0.72 -1.19 119.26 122.80 2jpu h ALA 14 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jpu h ALA 14 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jpu h ALA 14 CO -0.02 0.39 -0.06 0.93 0.00 0.00 0.00 179.25 180.49 2jpu h GLU 15 N 0.76 0.42 0.31 0.00 4.39 -0.72 0.22 114.58 119.96 2jpu h GLU 15 Ca 0.17 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2jpu h GLU 15 Cb 0.30 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2jpu h GLU 15 CO -0.00 0.49 -0.15 0.93 -1.16 0.00 0.00 179.01 179.12 2jpu h GLU 16 N 0.40 -0.40 -0.03 2.33 4.39 0.46 0.06 114.58 121.79 2jpu h GLU 16 Ca 0.08 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 2jpu h GLU 16 Cb 0.36 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2jpu h GLU 16 CO 0.02 -0.26 -0.55 0.74 -1.16 0.00 0.00 179.01 177.80 2jpu h PHE 17 N -0.41 0.10 -0.74 4.33 0.04 -1.00 0.27 116.94 119.53 2jpu h PHE 17 Ca -0.04 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2jpu h PHE 17 Cb 0.32 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2jpu h PHE 17 CO -0.06 0.61 0.46 1.25 -0.60 0.00 0.00 178.31 179.97 2jpu h LEU 18 N 0.06 0.87 0.00 1.54 5.85 -0.36 0.29 115.31 123.56 2jpu h LEU 18 Ca -0.00 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.50 2jpu h LEU 18 Cb 0.99 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2jpu h LEU 18 CO 0.08 0.66 -1.00 0.28 -0.34 0.00 0.00 178.44 178.12 2jpu h SER 19 N 1.01 0.00 -0.67 1.25 0.02 -0.49 -3.27 113.55 111.40 2jpu h SER 19 Ca 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2jpu h SER 19 Cb -0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2jpu h SER 19 CO -0.05 0.78 0.22 0.50 -1.14 0.00 0.00 176.83 177.13 2jpu h LYS 20 N 0.00 1.05 0.00 3.45 1.63 0.23 -3.47 116.57 119.47 2jpu h LYS 20 Ca -0.07 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2jpu h LYS 20 Cb 1.65 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 2jpu h LYS 20 CO 0.09 0.90 0.00 0.41 -3.45 0.00 0.00 179.45 177.40 2jpu n GLY 21 N -0.83 1.49 3.12 5.01 0.00 -0.03 -5.06 105.19 108.88 2jpu n GLY 21 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.82 3.35 0.08 1.61 -1.08 -0.48 -4.99 116.67 113.33 2jpu s ASP 22 Ca 0.00 -0.75 0.11 0.00 -0.52 0.00 0.00 52.55 51.39 2jpu s ASP 22 Cb 0.00 -1.50 -0.17 0.00 -1.46 0.00 0.00 42.92 39.79 2jpu s ASP 22 CO 0.00 -0.03 1.05 -0.07 0.52 0.00 0.00 175.17 176.64 2jpu h LEU 23 N 7.92 0.00 0.06 -1.34 3.38 -1.92 -3.27 115.31 120.14 2jpu h LEU 23 Ca -0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jpu h LEU 23 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jpu h LEU 23 CO 0.61 0.89 -0.03 0.58 0.09 0.00 0.00 178.44 180.58 2jpu h VAL 24 N 0.00 1.26 0.00 1.22 2.07 -1.94 -2.51 116.25 116.35 2jpu h VAL 24 Ca -0.12 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 2jpu h VAL 24 Cb 1.78 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 2jpu h VAL 24 CO 0.10 0.31 -0.33 1.56 0.02 0.00 0.00 177.57 179.23 2jpu h GLN 25 N -0.69 0.00 -0.75 1.57 4.20 -1.97 -1.76 115.11 115.72 2jpu h GLN 25 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2jpu h GLN 25 Cb 0.58 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2jpu h GLN 25 CO 0.01 0.33 0.43 0.00 -0.67 0.00 0.00 178.83 178.93 2jpu h ALA 26 N 1.67 0.95 -0.68 3.87 0.00 -1.60 -1.47 119.26 122.01 2jpu h ALA 26 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jpu h ALA 26 Cb 0.68 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jpu h ALA 26 CO 0.04 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.95 2jpu h GLU 28 N 1.00 1.19 -0.01 0.00 4.22 -1.00 -2.02 114.58 117.96 2jpu h GLU 28 Ca 0.22 -0.16 -0.14 0.00 0.08 0.00 0.00 59.36 59.36 2jpu h GLU 28 Cb 0.28 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jpu h GLU 28 CO -0.01 0.90 -0.64 0.87 -2.18 0.00 0.00 179.01 177.95 2jpu h LYS 29 N 1.18 0.05 -0.72 1.92 1.79 -0.84 -2.10 116.57 117.85 2jpu h LYS 29 Ca 0.29 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2jpu h LYS 29 Cb 0.09 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2jpu h LYS 29 CO -0.04 0.67 0.44 1.88 -1.08 0.00 0.00 179.45 181.32 2jpu h TYR 30 N 0.04 0.93 -0.42 -1.35 0.05 -0.63 -0.65 116.97 114.93 2jpu h TYR 30 Ca -0.01 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2jpu h TYR 30 Cb 1.14 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 2jpu h TYR 30 CO 0.00 0.61 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.75 2jpu h TYR 31 N 0.98 0.87 -0.23 4.88 3.20 -0.86 0.98 116.97 126.79 2jpu h TYR 31 Ca 0.26 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2jpu h TYR 31 Cb -0.05 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2jpu h TYR 31 CO 0.00 0.88 -0.03 0.87 -1.64 0.00 0.00 178.16 178.24 2jpu h LYS 32 N 0.61 0.34 -0.06 1.82 1.79 -0.97 -0.09 116.57 120.02 2jpu h LYS 32 Ca 0.11 -0.06 -0.22 0.00 -2.18 0.00 0.00 60.65 58.30 2jpu h LYS 32 Cb 0.57 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2jpu h LYS 32 CO 0.03 0.40 -0.85 0.00 -1.08 0.00 0.00 179.45 177.95 2jpu h ALA 33 N 1.64 0.39 -0.11 3.86 0.00 -0.86 -3.20 119.26 120.98 2jpu h ALA 33 Ca 0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2jpu h ALA 33 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jpu h ALA 33 CO 0.01 0.75 0.02 0.00 0.00 0.00 0.00 179.25 180.04 2jpu h ALA 34 N 0.72 0.14 -0.73 0.00 0.00 0.07 -1.18 119.26 118.28 2jpu h ALA 34 Ca -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jpu h ALA 34 Cb 1.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2jpu h ALA 34 CO 0.16 -0.22 0.44 1.05 0.00 0.00 0.00 179.25 180.68 2jpu h GLU 35 N -0.04 0.98 -0.39 0.00 4.11 -1.15 0.10 114.58 118.19 2jpu h GLU 35 Ca 0.03 -0.09 -0.10 0.00 0.07 0.00 0.00 59.36 59.28 2jpu h GLU 35 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jpu h GLU 35 CO 0.00 0.69 -0.15 0.93 0.07 0.00 0.00 179.01 180.55 2jpu h GLU 36 N 0.99 0.72 -0.17 1.06 4.39 -1.54 -1.60 114.58 118.44 2jpu h GLU 36 Ca 0.26 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2jpu h GLU 36 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2jpu h GLU 36 CO -0.05 0.84 0.02 0.00 -1.16 0.00 0.00 179.01 178.65 2jpu h ALA 37 N 1.18 0.22 -0.55 3.43 0.00 -0.51 -2.06 119.26 120.97 2jpu h ALA 37 Ca 0.10 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jpu h ALA 37 Cb 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2jpu h ALA 37 CO 0.04 -0.10 0.16 0.82 0.00 0.00 0.00 179.25 180.17 2jpu h ILE 38 N 0.05 0.73 -0.89 0.00 1.08 -0.63 0.14 117.51 118.00 2jpu h ILE 38 Ca 0.05 -0.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 2jpu h ILE 38 Cb 0.33 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 34.39 2jpu h ILE 38 CO 0.01 0.06 0.49 0.11 -0.69 0.00 0.00 178.15 178.12 2jpu h LYS 39 N 0.31 0.68 -0.15 2.37 1.57 -1.14 0.30 116.57 120.51 2jpu h LYS 39 Ca 0.28 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 2jpu h LYS 39 Cb 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2jpu h LYS 39 CO -0.32 0.45 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.28 2jpu h LEU 40 N 0.70 0.68 -0.74 2.94 3.38 -0.19 -3.07 115.31 119.01 2jpu h LEU 40 Ca 0.48 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2jpu h LEU 40 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jpu h LEU 40 CO -0.35 1.15 -0.55 -0.07 0.09 0.00 0.00 178.44 178.71 2jpu h LEU 41 N 0.43 0.25 -1.40 1.67 4.07 -0.07 -2.95 115.31 117.31 2jpu h LEU 41 Ca -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 2jpu h LEU 41 Cb 1.23 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 2jpu h LEU 41 CO 0.12 0.75 0.17 0.58 -1.08 0.00 0.00 178.44 178.99 2jpu h VAL 42 N 0.18 1.15 -0.75 1.22 2.07 -0.88 -2.39 116.25 116.85 2jpu h VAL 42 Ca 0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2jpu h VAL 42 Cb 1.03 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2jpu h VAL 42 CO 0.08 0.18 0.30 0.40 0.02 0.00 0.00 177.57 178.56 2jpu h ILE 43 N 0.58 1.25 -0.37 4.57 1.08 -1.43 0.40 117.51 123.59 2jpu h ILE 43 Ca 0.14 -0.80 -0.15 0.00 -0.39 0.00 0.00 64.86 63.67 2jpu h ILE 43 Cb 0.11 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 2jpu h ILE 43 CO -0.02 0.32 -0.36 -0.33 -0.69 0.00 0.00 178.15 177.08 2jpu h GLU 44 N 1.08 0.86 0.00 2.37 4.39 -1.46 -3.06 114.58 118.76 2jpu h GLU 44 Ca 0.25 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2jpu h GLU 44 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jpu h GLU 44 CO -0.02 1.07 -0.87 -0.91 -1.16 0.00 0.00 179.01 177.12 2jpu h ASN 45 N 0.71 0.00 -5.41 1.42 2.35 -1.39 -3.49 115.58 109.77 2jpu h ASN 45 Ca 0.07 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2jpu h ASN 45 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2jpu h ASN 45 CO 0.09 0.06 -0.48 -3.20 -1.65 0.00 0.00 177.43 172.25 2jpu n ASN 46 N -2.40 -7.73 -4.51 5.81 2.85 0.14 -4.90 115.26 104.52 2jpu n ASN 46 Ca 0.01 0.37 -0.43 0.00 -0.11 0.00 0.00 54.58 54.43 2jpu n ASN 46 Cb 0.50 -5.08 -0.02 0.00 1.24 0.00 0.00 39.78 36.42 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 -2.86 4.25 0.20 1.20 1.43 -1.10 -4.83 118.68 116.96 2jpu s LEU 47 Ca 0.22 -1.91 -0.06 0.00 -1.03 0.00 0.00 54.13 51.34 2jpu s LEU 47 Cb -0.06 -2.49 0.13 0.00 0.03 0.00 0.00 46.19 43.80 2jpu s LEU 47 CO 0.78 -1.24 1.60 0.50 0.23 0.00 0.00 176.35 178.22 2jpu h LYS 48 N 8.98 0.84 -0.30 1.70 3.64 -1.92 0.86 116.57 130.37 2jpu h LYS 48 Ca 0.22 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2jpu h LYS 48 Cb 0.99 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2jpu h LYS 48 CO 1.30 0.98 0.05 1.49 -2.27 0.00 0.00 179.45 181.00 2jpu h GLU 49 N 0.73 0.43 0.09 1.90 4.81 -2.00 -2.16 114.58 118.37 2jpu h GLU 49 Ca 0.10 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.05 2jpu h GLU 49 Cb 0.76 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 2jpu h GLU 49 CO 0.06 0.42 -1.08 0.82 -0.73 0.00 0.00 179.01 178.50 2jpu h ILE 50 N 0.42 1.22 -0.60 2.32 5.03 -1.87 -3.30 117.51 120.74 2jpu h ILE 50 Ca 0.10 -2.39 -0.02 0.00 -0.12 0.00 0.00 64.86 62.43 2jpu h ILE 50 Cb 0.20 2.84 -0.03 0.00 -3.03 0.00 0.00 36.82 36.80 2jpu h ILE 50 CO -0.00 0.64 0.30 0.71 -0.68 0.00 0.00 178.15 179.12 2jpu h THR 51 N -0.51 1.19 0.00 -0.27 1.35 -0.75 0.26 112.91 114.18 2jpu h THR 51 Ca -0.24 -0.50 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 2jpu h THR 51 Cb 1.57 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2jpu h THR 51 CO 0.03 0.22 -0.25 0.78 -0.25 0.00 0.00 175.52 176.05 2jpu h ASN 52 N 0.83 0.00 1.38 5.36 2.35 -1.55 -1.89 115.58 122.06 2jpu h ASN 52 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2jpu h ASN 52 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2jpu h ASN 52 CO -0.03 0.25 -0.39 0.78 -1.65 0.00 0.00 177.43 176.39 2jpu h ASN 53 N 0.00 0.00 0.77 5.81 2.35 -1.10 -3.21 115.58 120.20 2jpu h ASN 53 Ca -0.00 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 2jpu h ASN 53 Cb 0.67 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 2jpu h ASN 53 CO 0.03 0.03 -0.63 0.58 -1.65 0.00 0.00 177.43 175.79 2jpu h VAL 54 N 0.00 1.36 0.00 2.81 2.07 -0.26 -3.00 116.25 119.23 2jpu h VAL 54 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2jpu h VAL 54 Cb 0.89 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2jpu h VAL 54 CO 0.00 0.62 0.00 0.29 0.02 0.00 0.00 177.57 178.50 2jpu n LYS 55 N -3.65 0.21 0.51 1.57 5.02 -1.04 -2.34 118.16 118.45 2jpu n LYS 55 Ca -0.01 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.22 2jpu n LYS 55 Cb 0.66 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 2jpu n LYS 55 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jpu h ASN 56 N 0.00 -1.18 -0.21 4.39 -0.73 -1.69 -3.31 115.58 112.85 2jpu h ASN 56 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2jpu h ASN 56 Cb 0.13 0.32 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2jpu h ASN 56 CO 0.00 -0.81 0.00 0.29 -0.37 0.00 0.00 177.43 176.54 2jpu n LYS 57 N -5.66 1.90 0.00 6.67 5.02 -1.19 -4.98 118.16 119.92 2jpu n LYS 57 Ca -0.16 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 2jpu n LYS 57 Cb 0.53 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jpu n GLY 58 N 1.01 2.60 3.48 0.72 0.00 -0.99 -4.96 105.19 107.06 2jpu n GLY 58 Ca 0.13 -0.65 -0.24 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 0.00 1.70 -0.12 1.61 3.52 -1.24 -4.76 118.95 119.67 2jpu s ARG 59 Ca 0.00 -1.77 -0.36 0.00 -0.13 0.00 0.00 55.73 53.47 2jpu s ARG 59 Cb 0.00 -1.78 -0.14 0.00 -1.56 0.00 0.00 34.95 31.48 2jpu s ARG 59 CO 0.00 0.32 1.78 0.91 -0.81 0.00 0.00 175.30 177.50 2jpu n TRP 60 N -0.64 2.18 -1.32 5.12 7.02 -1.26 -4.83 117.44 123.72 2jpu n TRP 60 Ca -0.05 0.24 -0.31 0.00 -1.02 0.00 0.00 57.50 56.36 2jpu n TRP 60 Cb 0.60 -2.57 0.09 0.00 -2.42 0.00 0.00 31.31 27.01 2jpu n TRP 60 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2jpu s LYS 61 N 3.39 2.33 0.19 -0.99 1.02 -1.26 -4.91 119.74 119.51 2jpu s LYS 61 Ca 0.93 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 2jpu s LYS 61 Cb -0.83 -1.91 0.20 0.00 -0.52 0.00 0.00 37.83 34.76 2jpu s LYS 61 CO 0.55 -1.57 1.73 0.77 -0.92 0.00 0.00 175.35 175.90 2jpu h SER 62 N -1.07 0.08 -0.66 2.83 0.02 -2.01 -1.41 113.55 111.32 2jpu h SER 62 Ca -0.44 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2jpu h SER 62 Cb 1.23 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 2jpu h SER 62 CO 0.53 0.07 0.44 1.05 -1.14 0.00 0.00 176.83 177.78 2jpu h GLU 63 N 0.29 0.86 0.00 3.45 4.11 -2.01 -2.12 114.58 119.16 2jpu h GLU 63 Ca 0.25 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.57 2jpu h GLU 63 Cb 0.32 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2jpu h GLU 63 CO -0.30 0.57 -0.31 -0.91 0.07 0.00 0.00 179.01 178.12 2jpu h ASN 64 N 0.88 0.00 -0.33 3.06 2.35 -1.63 0.49 115.58 120.41 2jpu h ASN 64 Ca 0.25 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 2jpu h ASN 64 Cb -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2jpu h ASN 64 CO -0.06 0.31 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.82 2jpu h LEU 65 N 0.00 0.70 -0.36 1.61 3.38 -0.95 0.14 115.31 119.84 2jpu h LEU 65 Ca -0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2jpu h LEU 65 Cb 0.83 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2jpu h LEU 65 CO 0.04 0.95 -0.05 -0.26 0.09 0.00 0.00 178.44 179.21 2jpu h PHE 66 N 0.45 0.74 -0.12 1.13 0.04 -1.38 -2.75 116.94 115.05 2jpu h PHE 66 Ca 0.07 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.71 2jpu h PHE 66 Cb 0.68 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2jpu h PHE 66 CO 0.06 0.80 0.05 -0.22 -0.60 0.00 0.00 178.31 178.40 2jpu h LYS 67 N 0.46 0.12 -0.89 1.51 3.64 -0.77 0.78 116.57 121.43 2jpu h LYS 67 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2jpu h LYS 67 Cb 0.53 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2jpu h LYS 67 CO 0.03 0.08 0.47 0.00 -2.27 0.00 0.00 179.45 177.76 2jpu h ALA 68 N 1.06 1.16 0.00 5.00 0.00 -0.77 -2.26 119.26 123.45 2jpu h ALA 68 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 68 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2jpu h ALA 68 CO -0.04 0.67 -0.38 0.77 0.00 0.00 0.00 179.25 180.27 2jpu h SER 69 N 1.25 0.00 -0.62 0.00 0.02 -1.12 -2.52 113.55 110.56 2jpu h SER 69 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2jpu h SER 69 Cb 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2jpu h SER 69 CO -0.05 0.38 0.26 0.11 -1.14 0.00 0.00 176.83 176.40 2jpu h LYS 70 N 0.00 0.92 0.00 3.45 1.79 -0.29 -2.32 116.57 120.12 2jpu h LYS 70 Ca -0.00 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2jpu h LYS 70 Cb 0.87 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2jpu h LYS 70 CO 0.05 0.77 0.00 1.28 -1.08 0.00 0.00 179.45 180.47 2jpu n LEU 71 N -4.46 0.00 0.00 2.94 4.77 -0.95 -4.60 117.00 114.70 2jpu n LEU 71 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2jpu n LEU 71 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2jpu n LEU 71 CO 0.39 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 2jpu n LEU 72 N 0.00 0.59 0.22 2.23 4.77 -1.24 -4.62 117.00 118.95 2jpu n LEU 72 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2jpu n LEU 72 Cb 0.00 -1.28 0.72 0.00 -2.33 0.00 0.00 43.42 40.53 2jpu n LEU 72 CO 0.00 -0.44 0.95 -0.09 -1.33 0.00 0.00 177.39 176.48 2jpu h ARG 73 N 0.82 0.00 -0.15 3.23 2.43 -1.81 -2.25 114.38 116.64 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 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2jpu h ARG 73 CO 0.00 0.00 -0.09 0.77 -1.51 0.00 0.00 179.97 179.14 2jpu h SER 74 N 0.00 0.22 0.01 -3.80 0.02 -1.97 -3.23 113.55 104.80 2jpu h SER 74 Ca 0.00 -0.04 -0.37 0.00 -0.84 0.00 0.00 61.79 60.54 2jpu h SER 74 Cb 0.21 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 2jpu h SER 74 CO 0.00 0.34 -2.06 -3.20 -1.14 0.00 0.00 176.83 170.77 2jpu n ASN 75 N -4.31 1.95 -3.64 3.07 5.15 -0.88 -5.02 115.26 111.57 2jpu n ASN 75 Ca -0.01 0.29 -0.15 0.00 -0.60 0.00 0.00 54.58 54.11 2jpu n ASN 75 Cb 0.24 -0.82 -0.08 0.00 -0.53 0.00 0.00 39.78 38.59 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jpu s ASN 76 N -7.11 -0.56 0.00 1.20 2.47 -1.00 -5.05 114.94 104.89 2jpu s ASN 76 Ca -0.33 0.88 0.27 0.00 0.42 0.00 0.00 52.86 54.10 2jpu s ASN 76 Cb 0.10 0.87 0.95 0.00 -1.45 0.00 0.00 41.25 41.72 2jpu s ASN 76 CO 0.57 -0.36 1.68 1.07 -3.72 0.00 0.00 177.10 176.34 2jpu n THR 77 N 1.99 0.00 0.17 -5.21 5.66 -1.26 -3.63 114.28 112.00 2jpu n THR 77 Ca -0.16 -0.18 0.05 0.00 -3.05 0.00 0.00 64.05 60.71 2jpu n THR 77 Cb 0.56 0.39 0.09 0.00 -1.55 0.00 0.00 70.33 69.83 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 1.66 0.00 -0.35 1.09 5.08 -1.94 -3.38 114.58 116.75 2jpu h GLU 78 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2jpu h GLU 78 Cb 0.48 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2jpu h GLU 78 CO 0.00 0.36 -0.21 0.82 -1.00 0.00 0.00 179.01 178.98 2jpu h ILE 79 N 0.00 0.41 -0.70 3.13 5.03 -1.86 0.15 117.51 123.66 2jpu h ILE 79 Ca -0.00 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.85 2jpu h ILE 79 Cb 1.24 0.41 -0.05 0.00 -3.03 0.00 0.00 36.82 35.40 2jpu h ILE 79 CO 0.05 0.00 0.47 1.55 -0.68 0.00 0.00 178.15 179.53 2jpu h PRO 80 N -0.17 0.46 0.05 2.37 0.13 -1.59 0.45 132.00 133.71 2jpu h PRO 80 Ca 0.17 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 2jpu h PRO 80 Cb 0.44 -0.10 0.02 0.00 0.13 0.00 0.00 31.00 31.48 2jpu h PRO 80 CO -0.45 0.30 -0.68 0.82 -0.23 0.00 0.00 178.00 177.77 2jpu h ILE 81 N 0.47 1.46 -0.52 -3.56 2.04 -1.38 -2.69 117.51 113.33 2jpu h ILE 81 Ca 0.33 -2.23 0.05 0.00 1.00 0.00 0.00 64.86 64.01 2jpu h ILE 81 Cb 0.65 2.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.48 2jpu h ILE 81 CO -0.11 0.64 0.24 -0.07 0.00 0.00 0.00 178.15 178.86 2jpu h LEU 82 N -0.19 0.33 -0.83 1.44 3.38 -0.01 -1.57 115.31 117.85 2jpu h LEU 82 Ca -0.10 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2jpu h LEU 82 Cb 1.43 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2jpu h LEU 82 CO 0.13 0.22 0.17 -0.25 0.09 0.00 0.00 178.44 178.80 2jpu h TRP 83 N 0.47 1.08 -0.84 1.13 2.91 -1.03 -2.81 115.95 116.86 2jpu h TRP 83 Ca 0.24 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 60.20 2jpu h TRP 83 Cb 0.18 -0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 28.46 2jpu h TRP 83 CO -0.12 0.88 0.52 -0.22 -1.03 0.00 0.00 178.44 178.47 2jpu h LYS 84 N 0.99 0.93 -0.33 2.65 3.11 -0.95 0.46 116.57 123.43 2jpu h LYS 84 Ca 0.21 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 58.00 2jpu h LYS 84 Cb 0.34 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 2jpu h LYS 84 CO -0.00 0.62 0.21 0.77 -2.81 0.00 0.00 179.45 178.24 2jpu h SER 85 N 0.96 0.36 -0.51 4.20 0.02 -1.14 0.42 113.55 117.86 2jpu h SER 85 Ca 0.36 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 2jpu h SER 85 Cb 0.14 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2jpu h SER 85 CO -0.16 0.26 -0.16 0.00 -1.14 0.00 0.00 176.83 175.63 2jpu h ALA 86 N 1.12 0.74 -0.62 3.77 0.00 -1.19 -2.82 119.26 120.26 2jpu h ALA 86 Ca 0.12 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 86 Cb -0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 2jpu h ALA 86 CO -0.03 0.67 0.28 2.35 0.00 0.00 0.00 179.25 182.52 2jpu h TRP 87 N 0.89 0.49 -0.26 0.00 2.91 0.24 -1.51 115.95 118.70 2jpu h TRP 87 Ca 0.13 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 2jpu h TRP 87 Cb 0.73 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 2jpu h TRP 87 CO 0.05 0.17 0.13 1.15 -1.03 0.00 0.00 178.44 178.91 2jpu h THR 88 N 0.49 1.09 -0.13 2.65 2.02 -0.67 -2.36 112.91 116.01 2jpu h THR 88 Ca 0.31 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2jpu h THR 88 Cb 0.33 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2jpu h THR 88 CO -0.26 0.11 0.00 -0.07 0.37 0.00 0.00 175.52 175.67 2jpu h LEU 89 N 0.36 0.22 -1.17 2.58 3.38 -1.10 -1.91 115.31 117.68 2jpu h LEU 89 Ca 0.09 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2jpu h LEU 89 Cb 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jpu h LEU 89 CO -0.01 0.47 -0.27 -0.74 0.09 0.00 0.00 178.44 177.98 2jpu h HIS 90 N -0.03 0.00 -0.08 1.13 2.76 -1.18 -1.43 115.15 116.32 2jpu h HIS 90 Ca 0.04 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 2jpu h HIS 90 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2jpu h HIS 90 CO 0.03 0.27 -0.65 0.28 -1.30 0.00 0.00 177.93 176.56 2jpu h VAL 91 N 0.00 1.38 -2.32 5.26 2.07 -1.34 -3.47 116.25 117.84 2jpu h VAL 91 Ca -0.00 -2.05 -0.40 0.00 0.82 0.00 0.00 66.70 65.07 2jpu h VAL 91 Cb 0.74 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 2jpu h VAL 91 CO 0.03 0.61 -0.47 -0.62 0.02 0.00 0.00 177.57 177.14 2jpu n GLU 92 N -3.86 -1.53 -3.31 1.57 1.02 -0.54 -4.93 120.64 109.07 2jpu n GLU 92 Ca -0.03 1.02 -0.38 0.00 -0.02 0.00 0.00 57.16 57.76 2jpu n GLU 92 Cb 0.65 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.49 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jpu n GLY 93 N -0.89 4.70 0.12 0.62 0.00 -1.24 -4.02 105.19 104.48 2jpu n GLY 93 Ca -0.23 -2.66 -0.24 0.00 0.00 0.00 0.00 46.02 42.89 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 1.64 0.21 0.00 1.61 7.35 -1.26 -4.97 117.46 122.04 2jpu n PHE 94 Ca 0.25 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2jpu n PHE 94 Cb 0.37 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.28 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 -4.33 -0.61 -4.32 -5.13 -0.00 -1.26 -5.13 115.22 94.43 2jpu n HIS 95 Ca -0.42 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.10 2jpu n HIS 95 Cb 0.76 0.17 -0.07 0.00 -0.00 0.00 0.00 29.99 30.85 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2jpu n GLU 96 N -1.84 0.44 -1.26 1.57 2.13 -1.26 -5.04 120.64 115.38 2jpu n GLU 96 Ca 0.00 -3.16 -0.37 0.00 0.66 0.00 0.00 57.16 54.30 2jpu n GLU 96 Cb 0.00 2.34 -0.02 0.00 0.27 0.00 0.00 31.44 34.03 2jpu n GLU 96 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2jpu n LEU 97 N 0.00 6.53 -3.16 4.31 7.99 -1.26 -4.58 117.00 126.84 2jpu n LEU 97 Ca 0.04 -3.70 0.02 0.00 -0.01 0.00 0.00 56.01 52.36 2jpu n LEU 97 Cb 0.57 -1.40 -0.01 0.00 -0.11 0.00 0.00 43.42 42.47 2jpu n LEU 97 CO 0.30 1.04 0.14 -0.44 -1.51 0.00 0.00 177.39 176.92 2jpu s SER 98 N 3.24 -1.43 0.07 -1.43 0.01 -1.26 -5.06 113.70 107.84 2jpu s SER 98 Ca 0.54 -0.45 -0.31 0.00 1.31 0.00 0.00 55.95 57.04 2jpu s SER 98 Cb 0.14 1.84 -0.07 0.00 0.21 0.00 0.00 66.02 68.14 2jpu s SER 98 CO -0.03 -0.19 1.48 -0.76 0.41 0.00 0.00 173.24 174.15 2jpu s LEU 99 N 2.15 4.35 0.65 2.44 2.01 -1.26 -4.84 118.68 124.17 2jpu s LEU 99 Ca 0.15 2.32 -0.11 0.00 0.01 0.00 0.00 54.13 56.50 2jpu s LEU 99 Cb -0.05 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.56 2jpu s LEU 99 CO -0.13 -0.75 1.05 0.20 1.01 0.00 0.00 176.35 177.72 2jpu s ASN 100 N 1.72 5.96 0.20 2.29 -0.87 -1.26 -4.74 114.94 118.23 2jpu s ASN 100 Ca 0.67 1.31 -0.11 0.00 -1.57 0.00 0.00 52.86 53.16 2jpu s ASN 100 Cb -0.36 -2.27 0.21 0.00 -0.02 0.00 0.00 41.25 38.80 2jpu s ASN 100 CO 0.30 -1.03 1.78 -0.08 -2.57 0.00 0.00 177.10 175.50 2jpu h GLU 101 N -0.42 0.52 -1.00 -0.60 4.81 -1.99 -1.35 114.58 114.55 2jpu h GLU 101 Ca -0.44 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 2jpu h GLU 101 Cb 1.21 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 2jpu h GLU 101 CO 0.63 0.34 0.63 -0.22 -0.73 0.00 0.00 179.01 179.66 2jpu h LYS 102 N 0.53 0.97 -0.11 1.92 3.11 -1.99 0.41 116.57 121.42 2jpu h LYS 102 Ca 0.27 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.98 2jpu h LYS 102 Cb 0.22 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2jpu h LYS 102 CO -0.21 0.64 -0.22 1.49 -2.81 0.00 0.00 179.45 178.34 2jpu h GLU 103 N 1.00 0.34 -0.42 1.90 4.57 -1.68 -2.79 114.58 117.50 2jpu h GLU 103 Ca 0.49 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 2jpu h GLU 103 Cb 0.47 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2jpu h GLU 103 CO -0.26 0.82 0.11 0.28 -1.18 0.00 0.00 179.01 178.78 2jpu h VAL 104 N -0.10 1.18 -0.93 0.32 2.07 -0.62 -1.10 116.25 117.07 2jpu h VAL 104 Ca 0.00 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2jpu h VAL 104 Cb 0.81 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2jpu h VAL 104 CO 0.05 0.24 0.61 0.50 0.02 0.00 0.00 177.57 178.99 2jpu h LYS 105 N 0.60 1.19 0.04 1.57 3.64 -0.12 0.27 116.57 123.76 2jpu h LYS 105 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jpu h LYS 105 Cb 0.22 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2jpu h LYS 105 CO -0.00 0.79 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.73 2jpu h LYS 106 N 1.23 -0.05 -0.63 1.90 3.64 -1.13 -3.17 116.57 118.37 2jpu h LYS 106 Ca 0.35 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 2jpu h LYS 106 Cb -0.09 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2jpu h LYS 106 CO -0.09 0.33 0.42 -0.07 -2.27 0.00 0.00 179.45 177.77 2jpu h LEU 107 N -0.44 0.37 -0.59 5.20 -0.00 -0.72 -1.14 115.31 118.00 2jpu h LEU 107 Ca -0.01 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 2jpu h LEU 107 Cb 0.40 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.94 2jpu h LEU 107 CO 0.01 0.22 0.26 0.50 -0.00 0.00 0.00 178.44 179.43 2jpu h LYS 108 N 0.41 0.47 0.11 1.13 3.64 -0.44 0.34 116.57 122.23 2jpu h LYS 108 Ca 0.30 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.36 2jpu h LYS 108 Cb 0.61 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2jpu h LYS 108 CO -0.08 0.31 -1.21 1.05 -2.27 0.00 0.00 179.45 177.24 2jpu h GLU 109 N 0.49 0.54 0.31 1.90 4.11 -1.30 -2.69 114.58 117.93 2jpu h GLU 109 Ca 0.28 -0.73 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 2jpu h GLU 109 Cb 0.27 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jpu h GLU 109 CO -0.24 1.32 -0.15 -0.44 0.07 0.00 0.00 179.01 179.57 2jpu h ASP 110 N 0.23 -0.35 0.17 3.06 5.19 -0.96 -1.71 116.42 122.04 2jpu h ASP 110 Ca -0.17 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.12 2jpu h ASP 110 Cb 1.89 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.48 2jpu h ASP 110 CO 0.22 -0.17 -0.27 0.58 -3.12 0.00 0.00 179.24 176.48 2jpu h VAL 111 N -0.51 1.24 -0.48 -1.35 2.07 -0.45 -2.07 116.25 114.69 2jpu h VAL 111 Ca -0.04 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 2jpu h VAL 111 Cb 0.38 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2jpu h VAL 111 CO 0.07 0.33 0.01 -0.09 0.02 0.00 0.00 177.57 177.92 2jpu h ARG 112 N 0.16 0.78 -0.38 1.57 2.43 -1.30 -0.20 114.38 117.44 2jpu h ARG 112 Ca 0.03 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2jpu h ARG 112 Cb 0.57 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2jpu h ARG 112 CO 0.04 0.78 0.16 0.87 -1.51 0.00 0.00 179.97 180.31 2jpu h LYS 113 N 0.73 0.53 -0.23 0.20 1.57 -0.61 -0.13 116.57 118.64 2jpu h LYS 113 Ca 0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2jpu h LYS 113 Cb 0.43 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jpu h LYS 113 CO 0.02 0.44 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.09 2jpu h LEU 114 N 0.53 0.55 -0.35 2.94 4.07 -0.98 -2.85 115.31 119.23 2jpu h LEU 114 Ca 0.13 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 2jpu h LEU 114 Cb 0.10 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 2jpu h LEU 114 CO -0.02 0.88 0.16 0.58 -1.08 0.00 0.00 178.44 178.97 2jpu h VAL 115 N 0.22 1.17 -0.52 1.22 2.07 -0.44 0.16 116.25 120.13 2jpu h VAL 115 Ca 0.04 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2jpu h VAL 115 Cb 0.71 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2jpu h VAL 115 CO 0.05 0.18 0.34 0.40 0.02 0.00 0.00 177.57 178.56 2jpu h ILE 116 N 0.42 1.06 0.11 4.57 1.08 -1.10 -0.24 117.51 123.40 2jpu h ILE 116 Ca 0.12 -0.20 -0.26 0.00 -0.39 0.00 0.00 64.86 64.12 2jpu h ILE 116 Cb 0.13 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2jpu h ILE 116 CO -0.01 0.11 -1.19 0.15 -0.69 0.00 0.00 178.15 176.51 2jpu h PHE 117 N 0.58 0.51 -0.36 1.37 3.04 -1.14 -1.21 116.94 119.74 2jpu h PHE 117 Ca 0.21 -0.35 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 2jpu h PHE 117 Cb 0.11 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 2jpu h PHE 117 CO -0.00 1.25 -0.04 0.00 -2.02 0.00 0.00 178.31 177.50 2jpu h ALA 118 N 0.61 0.48 -0.11 2.41 0.00 -0.02 -2.65 119.26 119.98 2jpu h ALA 118 Ca -0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2jpu h ALA 118 Cb 1.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2jpu h ALA 118 CO 0.20 0.29 -0.42 0.28 0.00 0.00 0.00 179.25 179.60 2jpu h VAL 119 N 0.46 1.31 0.00 0.00 2.07 -1.11 -2.67 116.25 116.31 2jpu h VAL 119 Ca 0.10 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 2jpu h VAL 119 Cb 0.52 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2jpu h VAL 119 CO 0.03 0.46 -0.02 -1.13 0.02 0.00 0.00 177.57 176.92 2jpu h ASN 120 N 0.21 0.00 0.31 0.57 -0.73 -0.92 0.26 115.58 115.28 2jpu h ASN 120 Ca 0.02 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 2jpu h ASN 120 Cb 0.83 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2jpu h ASN 120 CO 0.07 0.02 -0.18 -1.28 -0.37 0.00 0.00 177.43 175.69 2jpu h SER 121 N 0.00 0.00 0.08 1.15 0.87 -1.14 -1.83 113.55 112.69 2jpu h SER 121 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jpu h SER 121 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jpu h SER 121 CO 0.00 0.18 -0.18 0.18 -0.53 0.00 0.00 176.83 176.48 2jpu n LEU 122 N -3.94 1.59 -3.77 2.23 4.32 0.07 -4.43 117.00 113.08 2jpu n LEU 122 Ca -0.02 -0.51 -0.33 0.00 -0.02 0.00 0.00 56.01 55.13 2jpu n LEU 122 Cb 0.27 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 2jpu n LEU 122 CO 0.33 0.28 0.40 -0.62 -1.22 0.00 0.00 177.39 176.56 2jpu n GLU 123 N -0.03 3.00 0.00 3.23 1.02 -0.69 -4.87 120.64 122.30 2jpu n GLU 123 Ca 0.14 -4.59 0.00 0.00 -0.02 0.00 0.00 57.16 52.69 2jpu n GLU 123 Cb 0.40 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2jpu n GLU 123 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jpu n HIS 124 N 1.39 0.00 -1.96 -0.32 8.25 -1.26 -4.76 115.22 116.56 2jpu n HIS 124 Ca 0.26 -0.41 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 2jpu n HIS 124 Cb 0.38 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jpu n HIS 125 N 0.45 3.32 0.00 4.41 -0.00 -1.26 -4.39 115.22 117.75 2jpu n HIS 125 Ca 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 57.72 55.44 2jpu n HIS 125 Cb 0.45 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 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 9.37 0.00 -0.09 1.57 -0.00 -1.26 -4.78 115.22 120.03 2jpu n HIS 126 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2jpu n HIS 126 Cb 0.44 -0.39 0.28 0.00 -0.00 0.00 0.00 29.99 30.31 2jpu n HIS 126 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2jpu h HIS 127 N 0.00 0.73 -2.47 1.57 -0.00 -1.86 -3.48 115.15 109.64 2jpu h HIS 127 Ca 0.00 -0.03 0.26 0.00 -0.00 0.00 0.00 60.37 60.60 2jpu h HIS 127 Cb 0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 27.41 27.06 2jpu h HIS 127 CO 0.00 0.56 -0.81 1.58 -0.00 0.00 0.00 177.93 179.26 2jpu n HIS 128 N -4.35 -2.74 0.01 6.12 -0.00 -1.26 -5.20 115.22 107.79 2jpu n HIS 128 Ca 0.04 1.49 0.00 0.00 0.46 0.00 0.00 57.72 59.71 2jpu n HIS 128 Cb 0.15 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.52 2jpu n HIS 128 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52