#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 1.70 0.04 1.61 0.15 -1.26 -5.14 113.70 110.81 1x4t s SER 2 Ca 0.00 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 1x4t s SER 2 Cb 0.00 -0.38 0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1x4t s SER 2 CO 0.00 -0.23 0.34 -0.94 1.20 0.00 0.00 173.24 173.61 1x4t s SER 3 N 2.02 -0.19 0.12 5.45 1.04 -1.26 -5.13 113.70 115.76 1x4t s SER 3 Ca 0.04 -0.10 -0.33 0.00 0.48 0.00 0.00 55.95 56.04 1x4t s SER 3 Cb -0.13 0.38 -0.13 0.00 0.10 0.00 0.00 66.02 66.24 1x4t s SER 3 CO -0.05 -0.62 1.71 0.61 0.98 0.00 0.00 173.24 175.86 1x4t n GLY 4 N 0.60 1.36 3.81 7.32 0.00 -1.26 -4.97 105.19 112.05 1x4t n GLY 4 Ca -0.19 0.70 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 1x4t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4t s SER 5 N 1.85 6.26 1.30 1.61 0.15 -1.26 -5.09 113.70 118.52 1x4t s SER 5 Ca 0.81 0.36 -0.19 0.00 0.70 0.00 0.00 55.95 57.63 1x4t s SER 5 Cb -0.61 -2.05 0.30 0.00 -1.71 0.00 0.00 66.02 61.95 1x4t s SER 5 CO 0.39 0.32 0.72 -1.20 1.20 0.00 0.00 173.24 174.67 1x4t n SER 6 N 2.59 -3.32 0.00 5.45 7.64 -1.26 -5.05 113.62 119.67 1x4t n SER 6 Ca -0.18 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1x4t n SER 6 Cb 0.54 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1x4t n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4t n GLY 7 N 1.84 0.00 2.80 0.23 0.00 -1.26 -5.17 105.19 103.64 1x4t n GLY 7 Ca 0.08 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.69 1x4t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4t s LYS 8 N 0.00 -0.01 0.19 1.61 -0.14 -1.26 -5.05 119.74 115.08 1x4t s LYS 8 Ca 0.00 0.24 -0.22 0.00 -1.36 0.00 0.00 55.97 54.63 1x4t s LYS 8 Cb 0.00 -0.24 0.10 0.00 -1.68 0.00 0.00 37.83 36.01 1x4t s LYS 8 CO 0.00 -0.18 1.48 0.28 -0.76 0.00 0.00 175.35 176.18 1x4t n VAL 9 N 4.24 -0.57 -2.25 3.17 0.31 -1.26 -4.39 118.33 117.59 1x4t n VAL 9 Ca -0.27 2.28 -0.37 0.00 -0.01 0.00 0.00 64.34 65.98 1x4t n VAL 9 Cb 0.50 -2.92 -0.01 0.00 -0.91 0.00 0.00 33.84 30.51 1x4t n VAL 9 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x4t s LYS 10 N -5.72 3.65 0.01 5.55 1.02 -1.26 -5.03 119.74 117.96 1x4t s LYS 10 Ca -0.12 1.75 -0.29 0.00 0.02 0.00 0.00 55.97 57.32 1x4t s LYS 10 Cb 0.16 -2.31 0.11 0.00 -0.52 0.00 0.00 37.83 35.26 1x4t s LYS 10 CO 0.64 -0.64 1.15 -2.00 -0.92 0.00 0.00 175.35 173.59 1x4t s GLU 11 N -2.84 0.64 -0.02 1.68 2.12 -1.26 -5.11 118.70 113.91 1x4t s GLU 11 Ca 0.66 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.63 1x4t s GLU 11 Cb -0.28 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 1x4t s GLU 11 CO 0.33 -0.29 0.17 0.50 -0.54 0.00 0.00 175.26 175.42 1x4t s ARG 12 N -2.72 3.39 0.30 4.30 6.06 -1.26 -5.09 118.95 123.93 1x4t s ARG 12 Ca 0.12 -0.33 -0.27 0.00 -2.50 0.00 0.00 55.73 52.75 1x4t s ARG 12 Cb 0.02 -3.07 -0.09 0.00 0.06 0.00 0.00 34.95 31.86 1x4t s ARG 12 CO -0.03 0.68 0.99 0.50 -2.50 0.00 0.00 175.30 174.95 1x4t s ARG 13 N -1.84 4.60 0.00 5.12 3.52 -1.26 -5.06 118.95 124.03 1x4t s ARG 13 Ca 0.26 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 1x4t s ARG 13 Cb -0.12 -2.96 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1x4t s ARG 13 CO 0.17 0.26 0.00 -0.35 -0.81 0.00 0.00 175.30 174.57 1x4t n PRO 14 N 0.83 0.12 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.73 1x4t n PRO 14 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1x4t n PRO 14 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.39 0.00 -3.91 0.54 7.35 -1.26 -5.00 117.46 113.80 1x4t n PHE 15 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 1x4t n PHE 15 Cb 0.00 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -2.89 3.57 0.63 -2.13 1.43 -1.26 -4.97 118.68 113.06 1x4t s LEU 16 Ca 0.00 -1.01 0.39 0.00 -1.03 0.00 0.00 54.13 52.48 1x4t s LEU 16 Cb 0.00 -1.71 2.11 0.00 0.03 0.00 0.00 46.19 46.62 1x4t s LEU 16 CO 0.00 -0.19 2.29 0.00 0.23 0.00 0.00 176.35 178.67 1x4t h ALA 17 N 8.04 1.14 -0.00 4.21 0.00 -1.94 0.84 119.26 131.54 1x4t h ALA 17 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x4t h ALA 17 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x4t h ALA 17 CO 0.56 0.01 -0.04 -1.13 0.00 0.00 0.00 179.25 178.66 1x4t n SER 18 N -3.30 0.33 -0.08 0.00 3.41 -1.26 -3.55 113.62 109.17 1x4t n SER 18 Ca -0.03 -0.75 -0.09 0.00 -0.26 0.00 0.00 58.87 57.75 1x4t n SER 18 Cb 0.11 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1x4t n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x4t n GLU 19 N -0.90 1.32 -0.36 4.33 -0.58 0.26 -4.51 120.64 120.21 1x4t n GLU 19 Ca 0.18 0.02 0.28 0.00 -0.42 0.00 0.00 57.16 57.22 1x4t n GLU 19 Cb 0.22 -1.37 0.53 0.00 -0.57 0.00 0.00 31.44 30.25 1x4t n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4t n THR 21 N -4.96 -0.10 -3.72 0.00 -2.24 -1.26 -4.86 114.28 97.14 1x4t n THR 21 Ca 0.33 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.88 1x4t n THR 21 Cb 1.11 -0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -4.70 0.35 0.03 -0.78 0.41 -1.26 -5.04 118.70 107.71 1x4t s GLU 22 Ca 0.00 0.11 -0.24 0.00 -0.41 0.00 0.00 54.97 54.42 1x4t s GLU 22 Cb 0.00 -1.06 -0.18 0.00 -1.78 0.00 0.00 34.13 31.11 1x4t s GLU 22 CO 0.00 -0.39 1.47 1.25 -0.49 0.00 0.00 175.26 177.10 1x4t h LEU 23 N 8.36 0.02 0.00 1.80 5.85 -1.95 -2.28 115.31 127.11 1x4t h LEU 23 Ca -0.16 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1x4t h LEU 23 Cb 1.13 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1x4t h LEU 23 CO 0.24 0.30 0.00 -0.81 -0.34 0.00 0.00 178.44 177.82 1x4t n PRO 24 N -4.94 0.13 -0.05 5.25 -0.04 -1.26 -2.51 135.00 131.58 1x4t n PRO 24 Ca -0.08 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1x4t n PRO 24 Cb 0.16 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.37 0.68 0.24 0.54 4.76 -1.04 -3.75 118.16 118.22 1x4t n LYS 25 Ca 0.06 0.20 0.15 0.00 -2.87 0.00 0.00 58.31 55.84 1x4t n LYS 25 Cb 0.14 -1.68 0.46 0.00 -1.84 0.00 0.00 35.03 32.11 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.67 1.00 0.06 7.82 0.00 -1.11 -2.59 119.26 125.10 1x4t h ALA 26 Ca -0.41 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1x4t h ALA 26 Cb 2.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1x4t h ALA 26 CO 0.05 0.00 -1.36 0.93 0.00 0.00 0.00 179.25 178.87 1x4t h GLU 27 N 0.00 0.12 0.02 0.00 5.08 -1.69 -2.77 114.58 115.35 1x4t h GLU 27 Ca 0.00 -0.21 -0.25 0.00 -1.00 0.00 0.00 59.36 57.91 1x4t h GLU 27 Cb 0.71 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1x4t h GLU 27 CO 0.00 0.97 -1.03 1.57 -1.00 0.00 0.00 179.01 179.52 1x4t h LYS 28 N 0.03 0.51 0.00 2.33 2.10 -1.62 -3.10 116.57 116.82 1x4t h LYS 28 Ca -0.16 -0.58 -0.11 0.00 -2.00 0.00 0.00 60.65 57.80 1x4t h LYS 28 Cb 1.93 0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 33.41 1x4t h LYS 28 CO 0.14 1.21 -0.52 -1.49 -2.00 0.00 0.00 179.45 176.79 1x4t h TRP 29 N 0.27 0.00 0.23 0.07 -0.00 -1.58 -3.05 115.95 111.88 1x4t h TRP 29 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 1x4t h TRP 29 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.84 1x4t h TRP 29 CO 0.08 0.52 -0.11 -0.09 -0.00 0.00 0.00 178.44 178.84 1x4t h ARG 30 N 0.00 -0.29 0.00 0.49 2.43 -1.50 -2.49 114.38 113.02 1x4t h ARG 30 Ca -0.01 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1x4t h ARG 30 Cb 1.19 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1x4t h ARG 30 CO 0.07 0.02 -0.06 0.07 -1.51 0.00 0.00 179.97 178.56 1x4t h ARG 31 N -0.62 0.00 -0.37 0.20 0.11 -1.61 -1.78 114.38 110.31 1x4t h ARG 31 Ca -0.03 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1x4t h ARG 31 Cb 0.45 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1x4t h ARG 31 CO 0.05 0.06 -0.23 0.37 0.10 0.00 0.00 179.97 180.32 1x4t h GLN 32 N 0.00 0.73 -0.26 0.08 5.75 -1.41 -2.88 115.11 117.12 1x4t h GLN 32 Ca -0.00 -0.29 -0.13 0.00 -0.15 0.00 0.00 58.65 58.08 1x4t h GLN 32 Cb 0.11 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1x4t h GLN 32 CO 0.01 0.89 -0.35 0.82 -2.65 0.00 0.00 178.83 177.55 1x4t h ILE 33 N 0.64 1.31 -0.95 2.39 2.04 -0.87 -3.04 117.51 119.02 1x4t h ILE 33 Ca 0.09 -1.54 0.10 0.00 1.00 0.00 0.00 64.86 64.50 1x4t h ILE 33 Cb 0.73 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 1x4t h ILE 33 CO 0.06 0.49 0.59 0.40 0.00 0.00 0.00 178.15 179.69 1x4t h ILE 34 N 0.41 0.97 0.00 -0.67 2.04 -1.37 -0.32 117.51 118.57 1x4t h ILE 34 Ca 0.03 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1x4t h ILE 34 Cb 0.93 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1x4t h ILE 34 CO 0.08 0.18 -0.32 1.23 0.00 0.00 0.00 178.15 179.32 1x4t h GLY 35 N 0.99 0.00 0.49 5.37 0.00 -1.47 -2.79 103.07 105.66 1x4t h GLY 35 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.72 1x4t h GLY 35 CO -0.23 0.00 -0.21 0.83 0.00 0.00 0.00 176.54 176.93 1x4t h GLU 36 N 0.00 0.18 -0.05 4.80 5.08 -0.98 -3.00 114.58 120.61 1x4t h GLU 36 Ca -0.00 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1x4t h GLU 36 Cb 0.64 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1x4t h GLU 36 CO 0.04 0.85 -0.17 0.82 -1.00 0.00 0.00 179.01 179.56 1x4t h ILE 37 N -0.44 0.58 0.23 3.13 2.04 -1.24 -2.63 117.51 119.19 1x4t h ILE 37 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1x4t h ILE 37 Cb 0.91 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1x4t h ILE 37 CO 0.04 0.00 -0.46 -1.28 0.00 0.00 0.00 178.15 176.45 1x4t h SER 38 N -0.25 -1.34 -1.61 1.72 0.87 -1.60 0.34 113.55 111.69 1x4t h SER 38 Ca 0.07 0.13 0.48 0.00 -1.23 0.00 0.00 61.79 61.24 1x4t h SER 38 Cb 0.34 0.48 -0.08 0.00 -0.44 0.00 0.00 62.40 62.69 1x4t h SER 38 CO -0.20 -0.52 1.13 0.11 -0.53 0.00 0.00 176.83 176.82 1x4t h LYS 39 N -0.74 0.03 0.01 2.24 1.79 -1.40 1.63 116.57 120.13 1x4t h LYS 39 Ca -0.02 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.18 1x4t h LYS 39 Cb 0.70 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.30 1x4t h LYS 39 CO -0.18 0.02 -1.48 0.87 -1.08 0.00 0.00 179.45 177.59 1x4t h LYS 40 N 0.03 0.02 -0.62 3.15 1.57 -0.73 -3.33 116.57 116.66 1x4t h LYS 40 Ca 0.81 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.50 1x4t h LYS 40 Cb 3.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 35.37 1x4t h LYS 40 CO -0.12 0.71 0.19 0.28 -0.57 0.00 0.00 179.45 179.95 1x4t h VAL 41 N 0.01 1.24 0.10 0.50 2.07 0.62 -2.84 116.25 117.94 1x4t h VAL 41 Ca -0.20 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1x4t h VAL 41 Cb 1.94 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1x4t h VAL 41 CO 0.10 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 1x4t h ALA 42 N 1.29 -0.14 -0.64 1.67 0.00 -1.37 -0.84 119.26 119.23 1x4t h ALA 42 Ca 0.21 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1x4t h ALA 42 Cb 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1x4t h ALA 42 CO -0.01 -0.50 0.46 1.96 0.00 0.00 0.00 179.25 181.16 1x4t h GLN 43 N -0.30 0.04 0.00 0.00 4.20 -1.63 -1.55 115.11 115.87 1x4t h GLN 43 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1x4t h GLN 43 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1x4t h GLN 43 CO 0.02 0.03 -0.00 0.82 -0.67 0.00 0.00 178.83 179.03 1x4t h ILE 44 N 0.05 1.70 -0.85 2.54 1.08 -1.23 -3.26 117.51 117.54 1x4t h ILE 44 Ca 0.31 -2.11 0.19 0.00 -0.39 0.00 0.00 64.86 62.86 1x4t h ILE 44 Cb 1.16 3.13 -0.06 0.00 -3.07 0.00 0.00 36.82 37.98 1x4t h ILE 44 CO -0.02 0.54 0.57 1.56 -0.69 0.00 0.00 178.15 180.12 1x4t h GLN 45 N -0.90 0.37 -0.10 2.37 1.08 -0.35 -1.04 115.11 116.54 1x4t h GLN 45 Ca -0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1x4t h GLN 45 Cb 0.89 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1x4t h GLN 45 CO 0.00 0.25 0.05 -0.91 -0.95 0.00 0.00 178.83 177.27 1x4t h ASN 46 N 0.38 0.13 -3.88 1.46 2.35 -1.39 -3.47 115.58 111.17 1x4t h ASN 46 Ca 0.44 -0.11 -0.34 0.00 -0.55 0.00 0.00 56.30 55.73 1x4t h ASN 46 Cb 1.10 -0.03 0.05 0.00 0.05 0.00 0.00 38.32 39.49 1x4t h ASN 46 CO -0.15 0.20 -0.52 0.00 -1.65 0.00 0.00 177.43 175.32 1x4t n ALA 47 N -2.18 -0.83 -2.54 -0.83 0.00 -0.40 -4.91 120.51 108.83 1x4t n ALA 47 Ca -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1x4t n ALA 47 Cb 0.08 -3.43 0.05 0.00 0.00 0.00 0.00 19.45 16.15 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.42 3.00 0.00 0.00 0.00 -1.26 -4.76 105.19 100.74 1x4t n GLY 48 Ca -0.09 -1.44 0.01 0.00 0.00 0.00 0.00 46.02 44.49 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -0.52 0.01 0.00 0.99 4.77 -1.26 -5.12 117.00 115.87 1x4t n LEU 49 Ca 0.17 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1x4t n LEU 49 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1x4t n LEU 49 CO 0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1x4t n GLY 50 N 2.16 2.98 0.28 -0.72 0.00 -1.26 -4.59 105.19 104.04 1x4t n GLY 50 Ca -0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N 1.25 -0.29 -0.33 1.61 1.02 -1.26 0.16 120.64 122.80 1x4t n GLU 51 Ca 0.00 1.09 0.24 0.00 -0.02 0.00 0.00 57.16 58.46 1x4t n GLU 51 Cb 0.00 -1.60 0.45 0.00 -0.02 0.00 0.00 31.44 30.26 1x4t n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x4t h PHE 52 N 0.00 0.43 0.40 -0.32 -0.00 -2.00 0.14 116.94 115.59 1x4t h PHE 52 Ca 0.10 0.05 -0.02 0.00 -0.00 0.00 0.00 57.97 58.11 1x4t h PHE 52 Cb 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 1x4t h PHE 52 CO -0.77 -0.44 -0.19 0.00 -0.00 0.00 0.00 178.31 176.91 1x4t h ARG 53 N 0.02 -0.52 -1.05 6.09 2.47 0.13 -2.75 114.38 118.77 1x4t h ARG 53 Ca 0.73 0.04 0.38 0.00 -1.26 0.00 0.00 59.98 59.87 1x4t h ARG 53 Cb 1.75 0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 30.03 1x4t h ARG 53 CO -0.83 -0.28 0.60 0.82 0.56 0.00 0.00 179.97 180.84 1x4t h ILE 54 N -1.09 0.14 -0.08 2.04 5.03 0.42 0.48 117.51 124.45 1x4t h ILE 54 Ca -0.06 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.61 1x4t h ILE 54 Cb 0.48 -0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.25 1x4t h ILE 54 CO 0.09 0.03 -0.03 0.03 -0.68 0.00 0.00 178.15 177.59 1x4t h ARG 55 N 0.14 0.16 -0.46 2.37 2.47 -1.09 -1.92 114.38 116.06 1x4t h ARG 55 Ca 0.80 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 59.48 1x4t h ARG 55 Cb 2.07 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 30.35 1x4t h ARG 55 CO -0.65 0.51 0.26 -0.44 0.56 0.00 0.00 179.97 180.22 1x4t h ASP 56 N -0.19 0.41 0.78 7.04 5.19 0.15 -0.18 116.42 129.62 1x4t h ASP 56 Ca 0.02 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1x4t h ASP 56 Cb 0.46 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.91 1x4t h ASP 56 CO 0.01 0.29 -0.38 -0.07 -3.12 0.00 0.00 179.24 175.97 1x4t h LEU 57 N 0.52 -0.90 -0.88 1.55 3.38 -0.92 -2.85 115.31 115.20 1x4t h LEU 57 Ca 0.19 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.33 1x4t h LEU 57 Cb 0.05 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1x4t h LEU 57 CO -0.10 -0.64 0.49 0.78 0.09 0.00 0.00 178.44 179.05 1x4t h ASN 58 N -1.06 0.64 -0.98 -0.43 2.35 -1.23 0.48 115.58 115.36 1x4t h ASN 58 Ca -0.11 0.08 0.22 0.00 -0.55 0.00 0.00 56.30 55.94 1x4t h ASN 58 Cb 0.81 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.06 1x4t h ASN 58 CO 0.17 0.30 0.62 -0.78 -1.65 0.00 0.00 177.43 176.10 1x4t h ASP 59 N 0.73 0.55 0.13 5.81 3.58 -0.80 -1.62 116.42 124.79 1x4t h ASP 59 Ca 0.47 0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.79 1x4t h ASP 59 Cb 0.60 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.64 1x4t h ASP 59 CO -0.33 0.18 -0.93 -0.33 -2.88 0.00 0.00 179.24 174.95 1x4t h GLU 60 N 0.53 0.27 -0.89 0.28 4.39 -0.79 -3.29 114.58 115.08 1x4t h GLU 60 Ca 0.54 -0.46 0.14 0.00 0.34 0.00 0.00 59.36 59.92 1x4t h GLU 60 Cb 1.17 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 29.84 1x4t h GLU 60 CO -0.28 1.22 -0.34 -0.89 -1.16 0.00 0.00 179.01 177.56 1x4t n ILE 61 N -4.11 -0.46 -0.12 3.13 2.08 -0.46 0.59 119.36 120.02 1x4t n ILE 61 Ca -0.17 2.08 -0.09 0.00 0.56 0.00 0.00 62.75 65.14 1x4t n ILE 61 Cb 0.82 -2.76 -0.01 0.00 -0.75 0.00 0.00 39.64 36.95 1x4t n ILE 61 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1x4t h ASN 62 N 0.00 0.47 -0.51 4.38 2.35 -1.66 -0.19 115.58 120.42 1x4t h ASN 62 Ca 0.32 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1x4t h ASN 62 Cb 0.54 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1x4t h ASN 62 CO -0.88 0.44 0.34 0.11 -1.65 0.00 0.00 177.43 175.78 1x4t h LYS 63 N 0.46 0.52 0.04 0.81 1.79 0.09 -0.02 116.57 120.26 1x4t h LYS 63 Ca 0.13 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.31 1x4t h LYS 63 Cb 0.08 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1x4t h LYS 63 CO -0.02 0.34 -1.05 -0.07 -1.08 0.00 0.00 179.45 177.57 1x4t h LEU 64 N 0.54 0.66 0.43 2.94 3.38 0.26 -3.26 115.31 120.25 1x4t h LEU 64 Ca 0.21 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1x4t h LEU 64 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x4t h LEU 64 CO -0.06 1.37 -0.21 0.25 0.09 0.00 0.00 178.44 179.89 1x4t h LEU 65 N 0.25 -0.49 -0.95 1.67 5.85 -0.21 -3.09 115.31 118.34 1x4t h LEU 65 Ca -0.12 -0.10 0.28 0.00 0.84 0.00 0.00 57.88 58.78 1x4t h LEU 65 Cb 1.71 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 42.70 1x4t h LEU 65 CO 0.19 -0.13 0.15 0.03 -0.34 0.00 0.00 178.44 178.34 1x4t h ARG 66 N -0.90 0.06 -0.54 1.25 3.08 -1.16 1.38 114.38 117.56 1x4t h ARG 66 Ca -0.06 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1x4t h ARG 66 Cb 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1x4t h ARG 66 CO 0.10 0.04 0.36 1.49 -1.07 0.00 0.00 179.97 180.88 1x4t h GLU 67 N 0.06 0.66 -0.47 0.04 4.57 -1.59 -2.19 114.58 115.67 1x4t h GLU 67 Ca 0.61 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.69 1x4t h GLU 67 Cb 1.32 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1x4t h GLU 67 CO -0.82 0.44 0.04 -0.22 -1.18 0.00 0.00 179.01 177.27 1x4t h LYS 68 N 0.68 0.81 -0.02 1.92 3.64 0.19 -1.72 116.57 122.07 1x4t h LYS 68 Ca 0.20 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1x4t h LYS 68 Cb -0.01 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1x4t h LYS 68 CO -0.05 0.84 0.11 0.78 -2.27 0.00 0.00 179.45 178.86 1x4t h GLY 69 N 0.67 0.00 0.36 5.01 0.00 -0.79 0.12 103.07 108.44 1x4t h GLY 69 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.11 1x4t h GLY 69 CO 0.02 0.00 -2.03 1.42 0.00 0.00 0.00 176.54 175.94 1x4t n HIS 70 N -3.15 0.88 0.12 5.60 8.25 -0.96 -3.90 115.22 122.06 1x4t n HIS 70 Ca -0.02 0.22 -0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1x4t n HIS 70 Cb 0.18 -1.11 -0.02 0.00 1.12 0.00 0.00 29.99 30.16 1x4t n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1x4t h TRP 71 N -0.16 -0.31 -1.14 4.41 4.06 -0.67 0.50 115.95 122.64 1x4t h TRP 71 Ca -0.46 -0.01 0.33 0.00 2.06 0.00 0.00 58.89 60.81 1x4t h TRP 71 Cb 1.88 0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 30.10 1x4t h TRP 71 CO 0.06 -0.19 0.93 0.93 -3.56 0.00 0.00 178.44 176.61 1x4t h GLU 72 N -0.67 0.00 0.12 0.49 5.08 -1.04 0.30 114.58 118.86 1x4t h GLU 72 Ca -0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 72 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1x4t h GLU 72 CO 0.06 0.00 -1.85 0.28 -1.00 0.00 0.00 179.01 176.50 1x4t h VAL 73 N 0.00 0.72 0.00 3.13 2.07 -1.67 -3.04 116.25 117.46 1x4t h VAL 73 Ca 0.54 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1x4t h VAL 73 Cb 2.39 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 34.68 1x4t h VAL 73 CO -0.01 0.82 -0.08 -0.09 0.02 0.00 0.00 177.57 178.23 1x4t h ARG 74 N -0.07 0.00 0.00 1.57 9.65 0.35 -1.16 114.38 124.71 1x4t h ARG 74 Ca -0.40 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 1x4t h ARG 74 Cb 1.94 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.52 1x4t h ARG 74 CO 0.06 0.08 -0.16 0.82 2.80 0.00 0.00 179.97 183.58 1x4t h ILE 75 N 0.00 0.81 0.06 1.20 2.04 -0.93 -2.71 117.51 117.97 1x4t h ILE 75 Ca -0.00 -0.60 -0.29 0.00 1.00 0.00 0.00 64.86 64.97 1x4t h ILE 75 Cb 0.15 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1x4t h ILE 75 CO 0.01 0.15 -1.56 0.50 0.00 0.00 0.00 178.15 177.25 1x4t h LYS 76 N 0.00 0.12 0.00 2.37 3.64 -1.31 0.32 116.57 121.71 1x4t h LYS 76 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1x4t h LYS 76 Cb 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1x4t h LYS 76 CO 0.02 1.10 0.27 0.93 -2.27 0.00 0.00 179.45 179.50 1x4t h GLU 77 N -0.54 0.00 0.00 1.90 5.08 -1.28 0.37 114.58 120.11 1x4t h GLU 77 Ca -0.38 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.78 1x4t h GLU 77 Cb 1.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.83 1x4t h GLU 77 CO -0.08 0.00 -1.59 1.28 -1.00 0.00 0.00 179.01 177.62 1x4t n LEU 78 N -2.80 0.76 0.00 1.33 4.77 -1.03 -4.96 117.00 115.06 1x4t n LEU 78 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1x4t n LEU 78 Cb 0.31 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1x4t n LEU 78 CO 0.13 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1x4t n GLY 79 N 1.46 1.45 0.00 -0.72 0.00 0.13 -5.04 105.19 102.47 1x4t n GLY 79 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 4.87 3.76 -0.02 0.00 0.11 -4.99 105.19 108.93 1x4t n GLY 80 Ca 0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.04 4.45 -0.51 1.61 0.04 -1.25 -4.34 135.00 137.04 1x4t s PRO 81 Ca 0.00 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 1x4t s PRO 81 Cb 0.00 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.48 1x4t s PRO 81 CO 0.00 -0.06 0.60 0.16 0.04 0.00 0.00 177.00 177.74 1x4t s ASP 82 N -0.50 6.21 0.03 6.66 1.47 -1.26 -3.66 116.67 125.61 1x4t s ASP 82 Ca 0.48 -1.05 0.22 0.00 1.18 0.00 0.00 52.55 53.38 1x4t s ASP 82 Cb -0.37 -2.28 -0.22 0.00 -0.34 0.00 0.00 42.92 39.72 1x4t s ASP 82 CO 0.47 -0.89 0.69 -1.22 0.68 0.00 0.00 175.17 174.90 1x4t n TYR 83 N 6.05 0.22 0.10 2.11 4.01 -1.15 -4.34 117.16 124.15 1x4t n TYR 83 Ca -0.08 0.06 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1x4t n TYR 83 Cb 0.45 -0.53 -0.15 0.00 -0.31 0.00 0.00 39.34 38.79 1x4t n TYR 83 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1x4t h GLY 84 N 4.16 0.45 -0.95 2.72 0.00 -1.89 -3.35 103.07 104.21 1x4t h GLY 84 Ca 0.00 -1.16 0.18 0.00 0.00 0.00 0.00 47.33 46.34 1x4t h GLY 84 CO 0.00 1.02 -0.29 1.17 0.00 0.00 0.00 176.54 178.44 1x4t n LYS 85 N -3.60 -0.14 -3.35 4.80 0.00 -1.26 -4.34 118.16 110.27 1x4t n LYS 85 Ca -0.18 1.48 -0.32 0.00 0.00 0.00 0.00 58.31 59.30 1x4t n LYS 85 Cb 1.07 -2.21 -0.05 0.00 0.00 0.00 0.00 35.03 33.84 1x4t n LYS 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x4t s VAL 86 N -6.09 4.89 0.10 3.15 -7.23 -1.26 -5.01 120.40 108.96 1x4t s VAL 86 Ca -0.14 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1x4t s VAL 86 Cb 0.23 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1x4t s VAL 86 CO 0.72 -0.11 0.00 -0.24 -0.31 0.00 0.00 175.10 175.16 1x4t n SER 87 N -0.24 0.59 0.00 4.85 2.88 -1.26 -4.97 113.62 115.46 1x4t n SER 87 Ca 0.01 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1x4t n SER 87 Cb 0.53 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1x4t n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4t n GLY 88 N 2.93 0.39 0.21 0.46 0.00 -1.26 -4.86 105.19 103.06 1x4t n GLY 88 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1x4t n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4t h PRO 89 N 0.00 0.00 0.17 1.61 0.13 -2.02 -2.51 132.00 129.39 1x4t h PRO 89 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4t h PRO 89 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1x4t h PRO 89 CO 0.00 0.28 -0.28 0.77 -0.23 0.00 0.00 178.00 178.53 1x4t h SER 90 N 0.00 -0.81 0.06 1.44 0.02 -2.03 -3.34 113.55 108.89 1x4t h SER 90 Ca -0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1x4t h SER 90 Cb 0.70 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1x4t h SER 90 CO 0.04 -0.33 -0.03 0.28 -1.14 0.00 0.00 176.83 175.64 1x4t h SER 91 N -0.48 -0.07 0.00 3.07 0.02 -1.96 -3.52 113.55 110.60 1x4t h SER 91 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1x4t h SER 91 Cb 0.44 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1x4t h SER 91 CO -0.10 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.40