#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p5t s SER 6 N 0.00 7.07 0.01 1.61 0.15 -1.21 -4.84 113.70 116.49 1p5t s SER 6 Ca 0.00 1.34 0.06 0.00 0.70 0.00 0.00 55.95 58.05 1p5t s SER 6 Cb 0.00 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1p5t s SER 6 CO 0.00 0.14 -0.15 -1.10 1.20 0.00 0.00 173.24 173.33 1p5t s GLN 7 N -1.60 2.25 -0.01 5.44 -0.21 -1.26 -1.70 119.66 122.57 1p5t s GLN 7 Ca 0.37 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.91 1p5t s GLN 7 Cb -0.18 -2.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 1p5t s GLN 7 CO 0.21 0.57 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.78 1p5t s PHE 8 N -0.90 0.93 0.04 0.91 0.40 -0.04 -4.93 117.98 114.39 1p5t s PHE 8 Ca 0.14 -0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 1p5t s PHE 8 Cb -0.11 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1p5t s PHE 8 CO 0.05 -0.02 1.03 -1.58 0.70 0.00 0.00 175.22 175.40 1p5t s TRP 9 N -0.26 3.63 0.04 0.36 0.52 -1.26 0.07 118.94 122.04 1p5t s TRP 9 Ca 0.04 1.62 0.01 0.00 0.02 0.00 0.00 56.10 57.79 1p5t s TRP 9 Cb -0.04 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.07 1p5t s TRP 9 CO -0.00 -0.29 -0.05 0.14 0.02 0.00 0.00 176.95 176.77 1p5t s VAL 10 N 0.78 0.28 -0.16 4.03 -7.23 0.32 -4.90 120.40 113.52 1p5t s VAL 10 Ca 0.52 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 1p5t s VAL 10 Cb -0.24 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 1p5t s VAL 10 CO 0.29 -0.57 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.58 1p5t s THR 11 N -1.94 3.80 0.20 5.32 2.01 -1.06 0.81 115.64 124.78 1p5t s THR 11 Ca -0.09 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1p5t s THR 11 Cb -0.06 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1p5t s THR 11 CO -0.02 0.49 1.38 -0.55 -0.69 0.00 0.00 174.62 175.23 1p5t s SER 12 N 0.47 6.79 -0.18 3.53 0.15 0.20 -0.58 113.70 124.07 1p5t s SER 12 Ca -0.04 2.48 -0.09 0.00 0.70 0.00 0.00 55.95 59.00 1p5t s SER 12 Cb -0.14 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1p5t s SER 12 CO 0.03 -0.62 0.12 -1.10 1.20 0.00 0.00 173.24 172.87 1p5t s GLN 13 N 0.12 4.03 0.08 5.44 -1.52 -0.76 -4.63 119.66 122.42 1p5t s GLN 13 Ca 0.60 -0.23 -0.34 0.00 -1.95 0.00 0.00 55.36 53.44 1p5t s GLN 13 Cb -0.39 -3.34 -0.13 0.00 -0.22 0.00 0.00 33.01 28.93 1p5t s GLN 13 CO 0.38 0.37 1.67 1.17 -0.25 0.00 0.00 175.29 178.62 1p5t n LYS 14 N 3.28 2.14 -3.71 2.91 4.81 -1.26 -4.58 118.16 121.75 1p5t n LYS 14 Ca -0.17 0.78 -0.12 0.00 -0.87 0.00 0.00 58.31 57.93 1p5t n LYS 14 Cb 0.52 -2.57 -0.07 0.00 0.02 0.00 0.00 35.03 32.94 1p5t n LYS 14 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1p5t s THR 15 N 1.86 0.07 0.15 3.15 -1.32 -1.26 -5.01 115.64 113.28 1p5t s THR 15 Ca 0.83 -0.58 -0.24 0.00 -1.21 0.00 0.00 61.69 60.50 1p5t s THR 15 Cb -0.69 -0.96 0.02 0.00 -1.51 0.00 0.00 72.50 69.37 1p5t s THR 15 CO 0.42 -0.32 1.61 -0.08 -2.21 0.00 0.00 174.62 174.05 1p5t h GLU 16 N 3.08 -0.29 -0.09 7.08 4.81 -1.93 -1.74 114.58 125.51 1p5t h GLU 16 Ca -0.32 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1p5t h GLU 16 Cb 1.20 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1p5t h GLU 16 CO 0.45 -0.19 -0.07 0.00 -0.73 0.00 0.00 179.01 178.46 1p5t h ALA 17 N 0.67 -0.00 -0.25 2.92 0.00 -1.87 -1.04 119.26 119.68 1p5t h ALA 17 Ca 0.13 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1p5t h ALA 17 Cb 0.51 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1p5t h ALA 17 CO -0.42 -0.54 0.17 0.66 0.00 0.00 0.00 179.25 179.12 1p5t h SER 18 N -0.09 0.28 0.22 0.00 4.64 -1.71 0.74 113.55 117.63 1p5t h SER 18 Ca 0.06 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1p5t h SER 18 Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1p5t h SER 18 CO -0.14 0.20 -0.11 -0.08 -0.87 0.00 0.00 176.83 175.83 1p5t h GLU 19 N 0.33 -0.28 -0.75 4.77 4.57 -0.86 0.69 114.58 123.03 1p5t h GLU 19 Ca 0.09 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.40 1p5t h GLU 19 Cb -0.01 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.56 1p5t h GLU 19 CO -0.02 0.01 0.38 -0.09 -1.18 0.00 0.00 179.01 178.12 1p5t h ARG 20 N -0.59 0.61 0.00 1.92 2.43 -0.58 0.24 114.38 118.41 1p5t h ARG 20 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1p5t h ARG 20 Cb 0.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1p5t h ARG 20 CO 0.05 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 178.91 1p5t n GLY 22 N 1.14 0.46 3.76 0.00 0.00 0.83 -5.01 105.19 106.37 1p5t n GLY 22 Ca 0.11 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1p5t n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p5t s LEU 23 N -0.01 4.42 -0.29 0.99 1.43 0.22 -4.96 118.68 120.48 1p5t s LEU 23 Ca 0.00 2.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.53 1p5t s LEU 23 Cb 0.00 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.71 1p5t s LEU 23 CO 0.00 -0.55 0.94 -1.58 0.23 0.00 0.00 176.35 175.39 1p5t s GLN 24 N -1.15 0.46 0.09 1.70 0.74 -1.26 -4.65 119.66 115.59 1p5t s GLN 24 Ca 0.52 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.67 1p5t s GLN 24 Cb -0.39 0.13 0.00 0.00 1.10 0.00 0.00 33.01 33.84 1p5t s GLN 24 CO 0.48 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1p5t n GLY 25 N 3.46 -0.88 3.89 2.59 0.00 -1.26 -4.93 105.19 108.06 1p5t n GLY 25 Ca -0.17 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 1p5t n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p5t s SER 26 N -4.00 6.51 0.31 1.61 0.01 -1.26 -0.63 113.70 116.25 1p5t s SER 26 Ca 0.00 0.64 -0.13 0.00 1.31 0.00 0.00 55.95 57.78 1p5t s SER 26 Cb 0.00 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1p5t s SER 26 CO 0.00 0.03 0.61 -0.31 0.41 0.00 0.00 173.24 173.98 1p5t s TYR 27 N -1.69 0.35 -0.11 2.43 1.51 0.24 -4.90 117.35 115.18 1p5t s TYR 27 Ca 0.42 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1p5t s TYR 27 Cb -0.12 0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 42.12 1p5t s TYR 27 CO 0.24 -1.23 -0.14 0.42 -1.11 0.00 0.00 175.55 173.73 1p5t s ILE 28 N -3.32 3.02 -0.23 2.71 -1.09 -0.30 0.12 121.20 122.11 1p5t s ILE 28 Ca 0.20 -0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 1p5t s ILE 28 Cb -0.03 -2.24 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1p5t s ILE 28 CO 0.12 0.54 0.05 -0.22 -1.23 0.00 0.00 174.94 174.20 1p5t s LEU 29 N 0.11 3.43 -0.17 2.97 2.96 0.11 -0.14 118.68 127.94 1p5t s LEU 29 Ca -0.06 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1p5t s LEU 29 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1p5t s LEU 29 CO 0.05 0.02 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.43 1p5t s ARG 30 N 1.30 3.49 -0.43 1.98 3.52 0.63 -0.86 118.95 128.57 1p5t s ARG 30 Ca 0.05 -0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 54.85 1p5t s ARG 30 Cb -0.15 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1p5t s ARG 30 CO 0.03 0.07 0.55 0.08 -0.81 0.00 0.00 175.30 175.21 1p5t s VAL 31 N 0.79 4.95 0.48 7.11 1.01 -0.69 -0.79 120.40 133.25 1p5t s VAL 31 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1p5t s VAL 31 Cb -0.15 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1p5t s VAL 31 CO 0.02 -0.53 0.57 -0.62 0.00 0.00 0.00 175.10 174.54 1p5t n GLU 32 N 5.96 0.71 0.10 2.72 1.02 0.50 -3.36 120.64 128.29 1p5t n GLU 32 Ca -0.04 -2.68 0.10 0.00 -0.02 0.00 0.00 57.16 54.51 1p5t n GLU 32 Cb 0.48 -0.05 0.43 0.00 -0.02 0.00 0.00 31.44 32.28 1p5t n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p5t n ALA 33 N -2.33 1.48 -1.54 0.62 0.00 -1.26 -3.74 120.51 113.74 1p5t n ALA 33 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1p5t n ALA 33 Cb 0.51 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1p5t n ALA 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p5t n GLU 34 N -2.03 0.00 -3.61 0.00 1.02 -1.26 -4.81 120.64 109.94 1p5t n GLU 34 Ca 0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1p5t n GLU 34 Cb 0.16 -0.26 -0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1p5t n GLU 34 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1p5t s LYS 35 N 0.00 0.37 0.04 3.49 -2.85 -1.25 -2.03 119.74 117.52 1p5t s LYS 35 Ca 0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 55.97 54.79 1p5t s LYS 35 Cb 0.00 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1p5t s LYS 35 CO 0.00 -0.17 0.12 -0.51 0.10 0.00 0.00 175.35 174.89 1p5t s LEU 36 N -2.78 4.01 -0.03 2.77 1.43 -0.10 -0.37 118.68 123.61 1p5t s LEU 36 Ca 0.13 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1p5t s LEU 36 Cb 0.03 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1p5t s LEU 36 CO -0.04 0.21 -0.09 -0.89 0.23 0.00 0.00 176.35 175.77 1p5t s THR 37 N -1.36 0.77 -0.31 5.49 2.01 0.03 -0.80 115.64 121.47 1p5t s THR 37 Ca 0.29 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 1p5t s THR 37 Cb -0.12 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1p5t s THR 37 CO 0.21 0.24 0.15 -0.22 -0.69 0.00 0.00 174.62 174.31 1p5t s LEU 38 N 0.21 4.10 -0.04 4.42 2.96 0.11 -0.27 118.68 130.17 1p5t s LEU 38 Ca -0.03 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1p5t s LEU 38 Cb -0.09 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1p5t s LEU 38 CO 0.00 -0.19 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.03 1p5t s LEU 39 N 1.62 3.22 0.33 -0.68 1.02 0.80 0.46 118.68 125.45 1p5t s LEU 39 Ca 0.05 -0.05 0.09 0.00 0.02 0.00 0.00 54.13 54.23 1p5t s LEU 39 Cb -0.17 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 1p5t s LEU 39 CO 0.06 0.33 0.09 0.28 0.02 0.00 0.00 176.35 177.14 1p5t s THR 40 N -0.90 3.02 -0.07 5.49 -1.32 -0.30 -1.15 115.64 120.42 1p5t s THR 40 Ca 0.14 -1.79 -0.21 0.00 -1.21 0.00 0.00 61.69 58.62 1p5t s THR 40 Cb -0.11 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 1p5t s THR 40 CO 0.04 -0.22 0.62 -0.22 -2.21 0.00 0.00 174.62 172.63 1p5t s LEU 41 N -3.79 4.32 0.28 9.08 2.96 -1.26 0.19 118.68 130.46 1p5t s LEU 41 Ca 0.36 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 55.05 1p5t s LEU 41 Cb -0.03 -2.95 -0.12 0.00 0.50 0.00 0.00 46.19 43.60 1p5t s LEU 41 CO 0.22 -0.04 1.62 0.61 -1.32 0.00 0.00 176.35 177.43 1p5t n GLY 42 N 3.03 1.38 0.00 7.98 0.00 0.68 -4.87 105.19 113.38 1p5t n GLY 42 Ca -0.04 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 1p5t n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p5t h ALA 43 N 5.15 -0.57 0.05 4.61 0.00 -1.96 -0.01 119.26 126.53 1p5t h ALA 43 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p5t h ALA 43 Cb 1.22 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1p5t h ALA 43 CO 0.82 -0.57 -0.02 1.96 0.00 0.00 0.00 179.25 181.44 1p5t h GLN 44 N -0.01 -0.06 -0.91 0.00 4.20 -1.98 -3.37 115.11 112.98 1p5t h GLN 44 Ca -0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1p5t h GLN 44 Cb 0.01 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 1p5t h GLN 44 CO -0.00 0.46 0.59 0.66 -0.67 0.00 0.00 178.83 179.86 1p5t h SER 45 N -0.95 0.80 -0.94 1.46 4.64 -1.98 -3.46 113.55 113.12 1p5t h SER 45 Ca -0.01 0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 1p5t h SER 45 Cb 0.56 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.43 1p5t h SER 45 CO 0.01 0.45 -0.27 0.00 -0.87 0.00 0.00 176.83 176.15 1p5t n GLN 46 N -4.55 -0.96 -4.25 4.77 1.13 -0.02 -4.94 117.38 108.56 1p5t n GLN 46 Ca 0.16 0.89 -0.30 0.00 -1.94 0.00 0.00 57.00 55.82 1p5t n GLN 46 Cb 0.34 -5.00 -0.10 0.00 0.11 0.00 0.00 30.24 25.59 1p5t n GLN 46 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1p5t s ILE 47 N -2.54 3.25 0.36 5.09 1.01 -1.26 -4.73 121.20 122.38 1p5t s ILE 47 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 60.65 59.07 1p5t s ILE 47 Cb 0.00 -2.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 1p5t s ILE 47 CO 0.00 0.12 1.24 -0.76 0.00 0.00 0.00 174.94 175.54 1p5t s LEU 48 N -2.17 4.33 -0.02 2.97 1.43 -1.26 0.24 118.68 124.21 1p5t s LEU 48 Ca 0.20 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1p5t s LEU 48 Cb -0.11 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1p5t s LEU 48 CO 0.13 -0.59 0.00 -1.61 0.23 0.00 0.00 176.35 174.50 1p5t s GLU 49 N -1.98 0.18 0.31 1.70 2.02 0.50 -4.79 118.70 116.64 1p5t s GLU 49 Ca 0.52 0.06 -0.26 0.00 0.02 0.00 0.00 54.97 55.31 1p5t s GLU 49 Cb -0.36 -0.33 -0.14 0.00 0.10 0.00 0.00 34.13 33.39 1p5t s GLU 49 CO 0.47 -0.09 0.70 -2.30 0.02 0.00 0.00 175.26 174.06 1p5t n PRO 50 N 3.82 0.70 0.00 0.39 -0.02 -1.26 -1.14 135.00 137.48 1p5t n PRO 50 Ca -0.23 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1p5t n PRO 50 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1p5t n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1p5t n LEU 51 N 1.47 1.41 -3.71 2.45 7.94 0.17 -4.75 117.00 121.98 1p5t n LEU 51 Ca 0.12 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.88 1p5t n LEU 51 Cb 0.33 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.20 1p5t n LEU 51 CO 0.57 0.19 0.11 -0.76 -1.11 0.00 0.00 177.39 176.39 1p5t s LEU 52 N -4.70 0.51 -0.01 -1.96 1.43 -1.08 -4.98 118.68 107.88 1p5t s LEU 52 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1p5t s LEU 52 Cb 0.00 1.54 -0.00 0.00 0.03 0.00 0.00 46.19 47.75 1p5t s LEU 52 CO 0.00 -0.45 -0.06 0.72 0.23 0.00 0.00 176.35 176.79 1p5t s PHE 53 N -1.13 0.57 -0.28 0.29 -0.12 -1.26 0.09 117.98 116.14 1p5t s PHE 53 Ca -0.12 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.67 1p5t s PHE 53 Cb -0.04 -0.39 0.08 0.00 -0.63 0.00 0.00 43.02 42.03 1p5t s PHE 53 CO 0.05 -0.03 -0.01 -1.58 -0.05 0.00 0.00 175.22 173.59 1p5t s TRP 54 N 0.01 2.75 0.31 3.49 0.51 0.02 -4.41 118.94 121.62 1p5t s TRP 54 Ca 0.00 -2.14 -0.29 0.00 -2.12 0.00 0.00 56.10 51.55 1p5t s TRP 54 Cb -0.04 -1.98 -0.10 0.00 -0.81 0.00 0.00 33.47 30.54 1p5t s TRP 54 CO -0.00 -0.85 1.17 -2.14 -0.51 0.00 0.00 176.95 174.62 1p5t s PRO 55 N 1.27 4.51 0.27 4.98 0.02 -1.26 -0.92 135.00 143.86 1p5t s PRO 55 Ca 0.00 1.94 -0.00 0.00 0.02 0.00 0.00 61.00 62.96 1p5t s PRO 55 Cb -0.19 -3.11 0.53 0.00 0.02 0.00 0.00 34.50 31.75 1p5t s PRO 55 CO -0.09 0.05 1.80 1.88 -0.33 0.00 0.00 177.00 180.30 1p5t h TYR 56 N 3.59 0.95 0.00 6.54 0.99 -1.76 0.46 116.97 127.74 1p5t h TYR 56 Ca -0.48 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1p5t h TYR 56 Cb 1.22 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 38.66 1p5t h TYR 56 CO 0.58 0.32 0.00 0.25 -0.00 0.00 0.00 178.16 179.30 1p5t n THR 57 N -4.75 0.00 -1.18 -2.88 -2.24 -1.26 -2.04 114.28 99.94 1p5t n THR 57 Ca 0.18 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 1p5t n THR 57 Cb 0.39 -0.79 0.17 0.00 -2.10 0.00 0.00 70.33 68.00 1p5t n THR 57 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p5t n LEU 58 N -0.99 2.70 -4.42 3.22 4.77 0.15 -5.02 117.00 117.42 1p5t n LEU 58 Ca 0.10 -3.27 -0.33 0.00 -0.03 0.00 0.00 56.01 52.48 1p5t n LEU 58 Cb 0.04 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1p5t n LEU 58 CO 0.07 0.86 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.79 1p5t s LEU 59 N -2.96 2.77 0.10 2.23 1.02 -0.86 -1.12 118.68 119.85 1p5t s LEU 59 Ca 0.35 -0.27 -0.14 0.00 0.02 0.00 0.00 54.13 54.09 1p5t s LEU 59 Cb 0.31 -1.61 -0.13 0.00 0.02 0.00 0.00 46.19 44.79 1p5t s LEU 59 CO 0.02 0.22 1.34 0.03 0.02 0.00 0.00 176.35 177.98 1p5t h ARG 60 N 6.28 0.75 -1.95 1.70 3.08 -1.18 -3.47 114.38 119.59 1p5t h ARG 60 Ca -0.32 -0.52 0.33 0.00 0.07 0.00 0.00 59.98 59.53 1p5t h ARG 60 Cb 1.19 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1p5t h ARG 60 CO 0.54 1.15 0.86 -0.98 -1.07 0.00 0.00 179.97 180.47 1p5t s ARG 61 N -3.98 0.46 0.12 0.04 1.70 -1.25 -5.00 118.95 111.05 1p5t s ARG 61 Ca -0.11 -0.29 -0.25 0.00 -0.47 0.00 0.00 55.73 54.61 1p5t s ARG 61 Cb 0.08 0.13 0.07 0.00 -0.57 0.00 0.00 34.95 34.67 1p5t s ARG 61 CO 0.87 -0.21 0.80 1.52 -1.08 0.00 0.00 175.30 177.20 1p5t s TYR 62 N -2.15 -0.32 0.02 5.89 -0.85 -1.26 -1.54 117.35 117.13 1p5t s TYR 62 Ca 0.24 0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.77 1p5t s TYR 62 Cb 0.01 0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.98 1p5t s TYR 62 CO -0.01 -0.81 0.42 0.41 -1.52 0.00 0.00 175.55 174.04 1p5t n GLY 63 N -0.37 0.68 3.55 5.49 0.00 0.96 -4.96 105.19 110.53 1p5t n GLY 63 Ca -0.10 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1p5t n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p5t s ARG 64 N -2.01 1.61 0.14 1.61 3.03 -1.26 -1.17 118.95 120.90 1p5t s ARG 64 Ca 0.10 -1.38 -0.11 0.00 2.03 0.00 0.00 55.73 56.37 1p5t s ARG 64 Cb -0.01 0.45 0.00 0.00 -1.03 0.00 0.00 34.95 34.37 1p5t s ARG 64 CO 0.01 -0.66 0.30 0.34 -1.13 0.00 0.00 175.30 174.15 1p5t s ASP 65 N -3.07 -0.01 0.54 -2.89 2.15 -1.26 -4.99 116.67 107.14 1p5t s ASP 65 Ca 0.25 -0.68 0.36 0.00 0.43 0.00 0.00 52.55 52.91 1p5t s ASP 65 Cb -0.00 0.43 1.73 0.00 -0.30 0.00 0.00 42.92 44.78 1p5t s ASP 65 CO 0.11 -0.86 2.07 0.11 -0.17 0.00 0.00 175.17 176.44 1p5t h LYS 66 N 2.54 0.00 -0.01 4.34 1.79 -1.96 -3.39 116.57 119.88 1p5t h LYS 66 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1p5t h LYS 66 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1p5t h LYS 66 CO 0.49 0.00 -0.42 0.28 -1.08 0.00 0.00 179.45 178.72 1p5t n VAL 67 N -2.90 0.00 -3.92 0.50 0.31 -1.26 -4.38 118.33 106.68 1p5t n VAL 67 Ca -0.01 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 1p5t n VAL 67 Cb 0.17 1.20 -0.12 0.00 -0.91 0.00 0.00 33.84 34.18 1p5t n VAL 67 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1p5t s PHE 69 N -2.17 0.13 0.06 3.52 5.36 -0.02 -1.93 117.98 122.93 1p5t s PHE 69 Ca 0.15 -0.26 -0.21 0.00 -0.96 0.00 0.00 56.93 55.65 1p5t s PHE 69 Cb 0.15 -0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.78 1p5t s PHE 69 CO 0.49 -0.11 0.50 0.45 -1.46 0.00 0.00 175.22 175.09 1p5t s SER 70 N -0.79 -0.41 0.17 6.13 0.15 -0.32 -0.78 113.70 117.85 1p5t s SER 70 Ca -0.09 0.10 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 1p5t s SER 70 Cb -0.05 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1p5t s SER 70 CO -0.00 -0.74 0.50 0.72 1.20 0.00 0.00 173.24 174.91 1p5t s PHE 71 N -2.67 -0.20 -0.18 3.44 -0.12 -0.21 -0.03 117.98 118.02 1p5t s PHE 71 Ca -0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1p5t s PHE 71 Cb -0.00 0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1p5t s PHE 71 CO -0.04 -0.84 -0.17 -2.00 -0.05 0.00 0.00 175.22 172.13 1p5t s GLU 72 N -3.84 3.10 0.21 1.99 2.12 -0.59 -0.41 118.70 121.30 1p5t s GLU 72 Ca 0.06 -0.78 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1p5t s GLU 72 Cb -0.00 -2.64 -0.08 0.00 0.26 0.00 0.00 34.13 31.67 1p5t s GLU 72 CO -0.07 -0.14 0.67 0.00 -0.54 0.00 0.00 175.26 175.18 1p5t s ALA 73 N 1.18 3.45 0.62 6.30 0.00 0.02 -0.64 121.76 132.70 1p5t s ALA 73 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 1p5t s ALA 73 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1p5t s ALA 73 CO -0.07 0.37 0.97 0.20 0.00 0.00 0.00 175.76 177.22 1p5t s GLY 74 N -1.78 1.61 0.46 0.00 0.00 -0.28 -2.16 107.32 105.17 1p5t s GLY 74 Ca 0.43 -0.52 0.28 0.00 0.00 0.00 0.00 44.72 44.91 1p5t s GLY 74 CO 0.20 -0.22 1.75 0.07 0.00 0.00 0.00 173.10 174.91 1p5t h ARG 75 N -0.32 0.19 0.00 2.90 -0.00 -1.86 -1.07 114.38 114.21 1p5t h ARG 75 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 1p5t h ARG 75 Cb 1.25 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 1p5t h ARG 75 CO 0.62 0.12 0.00 0.54 -0.00 0.00 0.00 179.97 181.25 1p5t n ARG 76 N -4.45 0.40 -2.44 0.08 1.74 -1.26 -4.35 116.66 106.38 1p5t n ARG 76 Ca 0.28 0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 57.04 1p5t n ARG 76 Cb 1.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 31.04 1p5t n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p5t h PRO 78 N 2.45 0.00 0.00 0.00 0.11 -1.89 0.38 132.00 133.05 1p5t h PRO 78 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p5t h PRO 78 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p5t h PRO 78 CO 0.62 0.00 -0.42 0.66 -0.21 0.00 0.00 178.00 178.65 1p5t h SER 79 N 0.00 0.00 -4.86 -2.05 4.64 -1.91 -3.50 113.55 105.86 1p5t h SER 79 Ca 0.04 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1p5t h SER 79 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1p5t h SER 79 CO -0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1p5t n GLY 80 N 1.29 0.98 3.83 -0.77 0.00 0.12 -4.85 105.19 105.80 1p5t n GLY 80 Ca 0.04 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 1p5t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p5t s PRO 81 N -2.13 3.57 0.00 1.61 0.05 -1.23 -4.63 135.00 132.23 1p5t s PRO 81 Ca 0.00 0.99 0.00 0.00 0.05 0.00 0.00 61.00 62.04 1p5t s PRO 81 Cb 0.00 -2.08 0.00 0.00 0.05 0.00 0.00 34.50 32.47 1p5t s PRO 81 CO 0.00 -0.59 0.00 0.41 0.05 0.00 0.00 177.00 176.87 1p5t n GLY 82 N -1.69 1.95 3.80 0.56 0.00 -0.92 -4.79 105.19 104.10 1p5t n GLY 82 Ca 0.07 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 1p5t n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p5t s THR 83 N -1.61 5.11 -0.14 2.61 2.01 -1.26 -0.80 115.64 121.56 1p5t s THR 83 Ca 0.00 0.80 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1p5t s THR 83 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1p5t s THR 83 CO 0.00 0.51 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.89 1p5t s PHE 84 N -0.54 2.45 -0.01 4.92 0.40 0.46 -4.31 117.98 121.35 1p5t s PHE 84 Ca 0.23 -1.30 0.05 0.00 -0.60 0.00 0.00 56.93 55.31 1p5t s PHE 84 Cb -0.16 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 1p5t s PHE 84 CO 0.11 -0.64 -0.15 0.99 0.70 0.00 0.00 175.22 176.23 1p5t s THR 85 N 1.09 1.20 -0.05 0.64 2.01 -1.26 -1.04 115.64 118.22 1p5t s THR 85 Ca -0.02 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1p5t s THR 85 Cb -0.14 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.38 1p5t s THR 85 CO -0.06 0.31 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.76 1p5t s PHE 86 N -0.40 0.92 0.04 4.92 0.40 0.04 -1.83 117.98 122.07 1p5t s PHE 86 Ca 0.06 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1p5t s PHE 86 Cb -0.06 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1p5t s PHE 86 CO -0.00 -0.24 1.12 -1.14 0.70 0.00 0.00 175.22 175.66 1p5t s GLN 87 N 0.99 4.48 -0.12 0.44 0.74 0.25 -0.84 119.66 125.60 1p5t s GLN 87 Ca -0.10 1.65 -0.30 0.00 0.05 0.00 0.00 55.36 56.66 1p5t s GLN 87 Cb -0.14 -3.38 0.11 0.00 1.10 0.00 0.00 33.01 30.70 1p5t s GLN 87 CO -0.00 -0.17 0.93 -0.08 -0.55 0.00 0.00 175.29 175.42 1p5t s THR 88 N 1.00 0.00 -0.25 -0.34 -1.32 -0.81 -2.56 115.64 111.37 1p5t s THR 88 Ca 0.56 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.18 1p5t s THR 88 Cb -0.26 -1.00 0.73 0.00 -1.51 0.00 0.00 72.50 70.45 1p5t s THR 88 CO 0.29 0.00 1.68 -1.54 -2.21 0.00 0.00 174.62 172.84 1p5t n SER 89 N 0.57 4.99 -0.10 8.08 3.41 -1.26 -4.00 113.62 125.31 1p5t n SER 89 Ca -0.11 -3.06 0.05 0.00 -0.26 0.00 0.00 58.87 55.48 1p5t n SER 89 Cb 0.58 -0.67 0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1p5t n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p5t n GLN 90 N 0.10 1.53 -0.32 4.33 6.02 -1.26 -4.78 117.38 123.00 1p5t n GLN 90 Ca 0.30 -1.84 0.17 0.00 -0.01 0.00 0.00 57.00 55.62 1p5t n GLN 90 Cb 1.18 -1.12 0.35 0.00 1.02 0.00 0.00 30.24 31.67 1p5t n GLN 90 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1p5t h GLY 91 N 0.00 1.52 0.90 1.08 0.00 -1.76 0.15 103.07 104.97 1p5t h GLY 91 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1p5t h GLY 91 CO 0.00 -0.50 -0.08 -0.57 0.00 0.00 0.00 176.54 175.39 1p5t h ASN 92 N 0.12 -0.20 -0.95 0.19 -0.73 -1.86 0.69 115.58 112.84 1p5t h ASN 92 Ca 0.63 -0.08 0.07 0.00 1.87 0.00 0.00 56.30 58.79 1p5t h ASN 92 Cb 1.37 0.05 -0.07 0.00 0.27 0.00 0.00 38.32 39.95 1p5t h ASN 92 CO -0.76 -0.05 0.60 0.44 -0.37 0.00 0.00 177.43 177.30 1p5t h ASP 93 N -0.34 0.96 0.46 1.15 3.32 -1.46 0.38 116.42 120.90 1p5t h ASP 93 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1p5t h ASP 93 Cb 0.26 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1p5t h ASP 93 CO 0.04 0.60 -0.22 0.40 -1.72 0.00 0.00 179.24 178.34 1p5t h ILE 94 N 1.09 0.54 -0.48 0.35 2.04 -0.75 -0.69 117.51 119.61 1p5t h ILE 94 Ca 0.42 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1p5t h ILE 94 Cb 0.19 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 1p5t h ILE 94 CO -0.18 0.02 -0.16 0.15 0.00 0.00 0.00 178.15 177.98 1p5t h PHE 95 N -0.68 -0.36 -0.05 1.37 3.57 -0.20 0.14 116.94 120.73 1p5t h PHE 95 Ca -0.06 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1p5t h PHE 95 Cb 0.50 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1p5t h PHE 95 CO -0.03 -0.24 -0.28 1.96 -2.23 0.00 0.00 178.31 177.48 1p5t h GLN 96 N -0.04 -0.38 -0.86 1.11 4.20 -0.10 -0.92 115.11 118.12 1p5t h GLN 96 Ca 0.23 0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.16 1p5t h GLN 96 Cb 0.40 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.15 1p5t h GLN 96 CO -0.52 -0.26 0.38 0.00 -0.67 0.00 0.00 178.83 177.76 1p5t h ALA 97 N 0.43 1.32 -0.48 3.87 0.00 0.60 -1.16 119.26 123.84 1p5t h ALA 97 Ca 0.08 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1p5t h ALA 97 Cb 0.51 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1p5t h ALA 97 CO -0.27 -0.27 0.05 0.28 0.00 0.00 0.00 179.25 179.04 1p5t h VAL 98 N 0.45 1.25 -0.03 0.00 2.07 0.36 -1.07 116.25 119.29 1p5t h VAL 98 Ca 0.51 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1p5t h VAL 98 Cb 0.89 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1p5t h VAL 98 CO -0.47 0.34 -0.05 -0.33 0.02 0.00 0.00 177.57 177.08 1p5t h GLU 99 N 0.67 -0.04 -0.71 1.57 4.39 0.01 0.17 114.58 120.65 1p5t h GLU 99 Ca 0.14 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1p5t h GLU 99 Cb 0.44 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 28.96 1p5t h GLU 99 CO 0.02 -0.03 -0.16 0.00 -1.16 0.00 0.00 179.01 177.68 1p5t h ALA 100 N -1.24 0.50 -0.11 3.43 0.00 -1.39 0.91 119.26 121.35 1p5t h ALA 100 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1p5t h ALA 100 Cb 0.05 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1p5t h ALA 100 CO -0.05 -0.42 -0.53 0.00 0.00 0.00 0.00 179.25 178.26 1p5t h ALA 101 N 1.70 -0.89 -0.40 0.00 0.00 -0.41 0.09 119.26 119.35 1p5t h ALA 101 Ca 0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1p5t h ALA 101 Cb 0.54 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1p5t h ALA 101 CO -0.72 -1.08 0.05 0.82 0.00 0.00 0.00 179.25 178.32 1p5t h ILE 102 N -0.58 1.20 -0.41 0.00 2.04 0.51 -2.17 117.51 118.10 1p5t h ILE 102 Ca 0.03 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1p5t h ILE 102 Cb 0.67 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1p5t h ILE 102 CO -0.41 0.27 0.25 -0.61 0.00 0.00 0.00 178.15 177.65 1p5t h GLN 103 N 0.59 0.56 -0.13 2.37 4.15 0.15 -2.65 115.11 120.14 1p5t h GLN 103 Ca 0.13 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 1p5t h GLN 103 Cb 0.30 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1p5t h GLN 103 CO 0.00 0.41 -0.50 0.37 -1.93 0.00 0.00 178.83 177.18 1p5t h GLN 104 N 0.54 0.35 0.00 1.69 5.75 -0.77 -2.13 115.11 120.54 1p5t h GLN 104 Ca 0.15 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1p5t h GLN 104 Cb -0.01 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1p5t h GLN 104 CO -0.03 0.77 0.00 1.04 -2.65 0.00 0.00 178.83 177.96 1p5t n GLN 105 N -3.96 0.00 0.07 1.69 6.02 -0.84 -2.53 117.38 117.83 1p5t n GLN 105 Ca -0.02 0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.08 1p5t n GLN 105 Cb 0.55 -1.03 0.20 0.00 1.02 0.00 0.00 30.24 30.99 1p5t n GLN 105 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1p5t n LYS 106 N -0.63 0.05 -0.34 -1.09 2.85 -1.07 -2.53 118.16 115.40 1p5t n LYS 106 Ca 0.00 0.49 -0.02 0.00 -1.05 0.00 0.00 58.31 57.73 1p5t n LYS 106 Cb 0.00 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 32.57 1p5t n LYS 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p5t n ALA 107 N -1.52 3.11 0.00 0.58 0.00 -0.80 -5.11 120.51 116.76 1p5t n ALA 107 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1p5t n ALA 107 Cb 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1p5t n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50