#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 0.24 -0.13 1.61 0.15 -1.26 -5.16 113.70 109.16 1x4t s SER 2 Ca 0.00 -0.91 -0.09 0.00 0.70 0.00 0.00 55.95 55.65 1x4t s SER 2 Cb 0.00 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1x4t s SER 2 CO 0.00 -0.73 0.16 -0.55 1.20 0.00 0.00 173.24 173.33 1x4t s SER 3 N -2.94 6.38 0.00 5.45 0.15 -1.26 -5.04 113.70 116.44 1x4t s SER 3 Ca 0.12 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1x4t s SER 3 Cb 0.06 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1x4t s SER 3 CO -0.06 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1x4t n GLY 4 N 2.38 -1.45 3.00 9.45 0.00 -1.26 -5.17 105.19 112.14 1x4t n GLY 4 Ca -0.18 1.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 1x4t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4t s SER 5 N 0.00 -0.09 0.20 1.61 0.01 -1.26 -5.17 113.70 109.00 1x4t s SER 5 Ca 0.00 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 1x4t s SER 5 Cb 0.00 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 1x4t s SER 5 CO 0.00 -0.09 0.26 -0.94 0.41 0.00 0.00 173.24 172.88 1x4t s SER 6 N -0.18 0.07 0.00 2.44 1.04 -1.26 -5.00 113.70 110.81 1x4t s SER 6 Ca -0.02 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1x4t s SER 6 Cb -0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x4t s SER 6 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1x4t n GLY 7 N -0.27 0.90 0.00 7.32 0.00 -1.26 -5.02 105.19 106.86 1x4t n GLY 7 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1x4t n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4t n LYS 8 N -1.12 3.65 -3.61 1.61 0.00 -1.26 -5.07 118.16 112.35 1x4t n LYS 8 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 58.31 58.25 1x4t n LYS 8 Cb 0.38 -0.77 -0.04 0.00 0.00 0.00 0.00 35.03 34.59 1x4t n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x4t s VAL 9 N -1.56 0.00 0.82 3.15 0.11 -1.26 -5.17 120.40 116.49 1x4t s VAL 9 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 1x4t s VAL 9 Cb 0.01 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.94 1x4t s VAL 9 CO 0.06 0.00 1.10 -0.54 -3.33 0.00 0.00 175.10 172.39 1x4t s LYS 10 N -1.36 1.89 -0.06 1.54 1.02 -1.26 -5.04 119.74 116.47 1x4t s LYS 10 Ca 0.06 1.20 0.01 0.00 0.02 0.00 0.00 55.97 57.26 1x4t s LYS 10 Cb -0.01 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1x4t s LYS 10 CO -0.04 -1.92 -0.07 -2.00 -0.92 0.00 0.00 175.35 170.40 1x4t s GLU 11 N -4.85 2.72 -0.25 1.68 2.56 -1.26 -5.10 118.70 114.20 1x4t s GLU 11 Ca 0.62 -0.57 -0.19 0.00 0.00 0.00 0.00 54.97 54.83 1x4t s GLU 11 Cb -0.18 -2.58 -0.02 0.00 2.00 0.00 0.00 34.13 33.34 1x4t s GLU 11 CO 0.57 0.66 0.56 0.50 -0.56 0.00 0.00 175.26 176.98 1x4t s ARG 12 N -0.92 4.09 0.43 4.30 6.06 -1.26 -5.04 118.95 126.62 1x4t s ARG 12 Ca 0.13 0.41 -0.26 0.00 -2.50 0.00 0.00 55.73 53.51 1x4t s ARG 12 Cb -0.11 -3.64 -0.09 0.00 0.06 0.00 0.00 34.95 31.16 1x4t s ARG 12 CO 0.02 -0.36 1.46 0.50 -2.50 0.00 0.00 175.30 174.43 1x4t s ARG 13 N 2.33 3.80 0.00 5.12 3.52 -1.26 -5.01 118.95 127.45 1x4t s ARG 13 Ca 0.23 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.33 1x4t s ARG 13 Cb -0.16 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1x4t s ARG 13 CO 0.09 -0.75 0.00 -0.35 -0.81 0.00 0.00 175.30 173.48 1x4t n PRO 14 N -0.00 -0.03 0.00 5.12 -0.04 -1.26 -5.04 135.00 133.75 1x4t n PRO 14 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x4t n PRO 14 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.53 0.00 -3.60 0.54 7.35 -1.26 -4.98 117.46 113.99 1x4t n PHE 15 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 1x4t n PHE 15 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 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 -3.24 5.09 0.63 -2.13 1.43 -1.26 -4.94 118.68 114.26 1x4t s LEU 16 Ca 0.00 -1.41 0.22 0.00 -1.03 0.00 0.00 54.13 51.92 1x4t s LEU 16 Cb 0.00 -2.00 1.04 0.00 0.03 0.00 0.00 46.19 45.27 1x4t s LEU 16 CO 0.00 -0.51 1.55 0.00 0.23 0.00 0.00 176.35 177.61 1x4t h ALA 17 N 8.42 2.15 -0.05 4.21 0.00 -1.93 0.68 119.26 132.75 1x4t h ALA 17 Ca -0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 1x4t h ALA 17 Cb 1.09 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x4t h ALA 17 CO 0.75 -0.97 -0.91 0.77 0.00 0.00 0.00 179.25 178.89 1x4t h SER 18 N 0.00 0.88 -0.82 0.00 0.02 -1.96 -3.25 113.55 108.42 1x4t h SER 18 Ca 0.19 -0.71 0.14 0.00 -0.84 0.00 0.00 61.79 60.57 1x4t h SER 18 Cb 1.71 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.89 1x4t h SER 18 CO -0.00 1.46 0.40 -0.33 -1.14 0.00 0.00 176.83 177.23 1x4t h GLU 19 N 0.38 0.57 -5.85 3.45 4.39 -0.02 -3.34 114.58 114.16 1x4t h GLU 19 Ca -0.10 -0.03 -0.39 0.00 0.34 0.00 0.00 59.36 59.18 1x4t h GLU 19 Cb 1.56 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 30.03 1x4t h GLU 19 CO 0.18 0.38 0.98 0.00 -1.16 0.00 0.00 179.01 179.39 1x4t n THR 21 N 7.54 1.47 -4.09 0.00 -2.24 -1.26 -4.78 114.28 110.92 1x4t n THR 21 Ca 0.34 -0.53 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1x4t n THR 21 Cb 0.48 -0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.07 3.12 0.03 -0.78 0.41 -1.26 -5.02 118.70 114.13 1x4t s GLU 22 Ca 0.16 -0.76 -0.25 0.00 -0.41 0.00 0.00 54.97 53.71 1x4t s GLU 22 Cb 0.14 -2.70 -0.18 0.00 -1.78 0.00 0.00 34.13 29.61 1x4t s GLU 22 CO 0.03 -0.19 1.49 1.25 -0.49 0.00 0.00 175.26 177.35 1x4t h LEU 23 N 7.95 -0.05 0.00 1.80 5.85 -1.95 -2.33 115.31 126.58 1x4t h LEU 23 Ca -0.44 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1x4t h LEU 23 Cb 1.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1x4t h LEU 23 CO 0.62 0.20 0.00 -0.81 -0.34 0.00 0.00 178.44 178.11 1x4t n PRO 24 N -5.00 0.10 -0.01 5.25 -0.04 -1.26 -2.65 135.00 131.39 1x4t n PRO 24 Ca -0.08 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1x4t n PRO 24 Cb 0.15 -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 -1.40 0.73 0.11 0.54 4.76 -1.02 -4.00 118.16 117.88 1x4t n LYS 25 Ca 0.05 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1x4t n LYS 25 Cb 0.14 -1.72 0.45 0.00 -1.84 0.00 0.00 35.03 32.07 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t n ALA 26 N -2.90 1.97 0.15 7.82 0.00 -0.91 -2.51 120.51 124.13 1x4t n ALA 26 Ca -0.29 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1x4t n ALA 26 Cb 1.05 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 19.13 1x4t n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4t h GLU 27 N 0.00 0.00 0.00 0.00 5.08 -1.67 -3.05 114.58 114.95 1x4t h GLU 27 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1x4t h GLU 27 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1x4t h GLU 27 CO 0.00 0.45 -1.75 0.36 -1.00 0.00 0.00 179.01 177.07 1x4t n LYS 28 N -3.23 0.64 0.20 2.33 2.85 -1.11 -3.94 118.16 115.91 1x4t n LYS 28 Ca 0.02 0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.52 1x4t n LYS 28 Cb 0.71 -1.70 0.37 0.00 -0.65 0.00 0.00 35.03 33.76 1x4t n LYS 28 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 1x4t h TRP 29 N 0.00 0.00 0.19 5.58 -0.00 -1.54 -2.76 115.95 117.41 1x4t h TRP 29 Ca -0.24 0.00 -0.32 0.00 -0.00 0.00 0.00 58.89 58.33 1x4t h TRP 29 Cb 1.68 0.00 0.02 0.00 -0.00 0.00 0.00 29.16 30.86 1x4t h TRP 29 CO 0.00 0.00 -1.49 0.07 -0.00 0.00 0.00 178.44 177.02 1x4t h ARG 30 N 0.00 0.39 -0.09 0.49 0.11 -1.67 -3.24 114.38 110.38 1x4t h ARG 30 Ca 0.00 -0.67 -0.19 0.00 0.10 0.00 0.00 59.98 59.22 1x4t h ARG 30 Cb 0.77 0.25 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 1x4t h ARG 30 CO 0.00 1.30 -0.74 0.07 0.10 0.00 0.00 179.97 180.70 1x4t h ARG 31 N 0.11 0.46 -0.25 0.08 0.11 -1.67 -3.00 114.38 110.21 1x4t h ARG 31 Ca -0.24 -0.38 -0.03 0.00 0.10 0.00 0.00 59.98 59.43 1x4t h ARG 31 Cb 2.08 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 33.23 1x4t h ARG 31 CO 0.22 1.01 0.04 0.37 0.10 0.00 0.00 179.97 181.71 1x4t h GLN 32 N 0.31 0.35 -0.09 0.08 5.75 -1.60 -2.35 115.11 117.56 1x4t h GLN 32 Ca -0.04 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.21 1x4t h GLN 32 Cb 1.33 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1x4t h GLN 32 CO 0.13 0.35 -0.77 0.82 -2.65 0.00 0.00 178.83 176.71 1x4t h ILE 33 N 0.35 1.34 -0.34 2.39 2.04 -1.56 -3.21 117.51 118.53 1x4t h ILE 33 Ca 0.08 -2.11 0.02 0.00 1.00 0.00 0.00 64.86 63.85 1x4t h ILE 33 Cb 0.18 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1x4t h ILE 33 CO 0.00 0.65 0.19 0.40 0.00 0.00 0.00 178.15 179.39 1x4t h ILE 34 N 0.36 1.03 -0.64 -0.67 2.04 -1.29 -1.92 117.51 116.42 1x4t h ILE 34 Ca -0.04 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1x4t h ILE 34 Cb 1.37 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1x4t h ILE 34 CO 0.14 0.07 0.42 1.23 0.00 0.00 0.00 178.15 180.02 1x4t h GLY 35 N 0.40 0.83 0.64 5.37 0.00 -1.54 -2.35 103.07 106.42 1x4t h GLY 35 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1x4t h GLY 35 CO -0.07 0.23 -0.02 0.83 0.00 0.00 0.00 176.54 177.52 1x4t h GLU 36 N 0.71 0.08 -0.35 4.80 5.08 -1.42 -2.36 114.58 121.13 1x4t h GLU 36 Ca 0.26 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 1x4t h GLU 36 Cb 0.16 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1x4t h GLU 36 CO -0.08 0.46 -0.11 0.82 -1.00 0.00 0.00 179.01 179.11 1x4t h ILE 37 N -0.30 0.61 0.54 3.13 2.04 -1.00 -2.00 117.51 120.53 1x4t h ILE 37 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1x4t h ILE 37 Cb 0.44 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1x4t h ILE 37 CO 0.01 0.00 -0.35 -1.28 0.00 0.00 0.00 178.15 176.52 1x4t h SER 38 N -0.03 -0.90 -1.31 1.72 0.87 -1.46 0.20 113.55 112.65 1x4t h SER 38 Ca 0.17 0.06 0.38 0.00 -1.23 0.00 0.00 61.79 61.17 1x4t h SER 38 Cb 0.29 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 1x4t h SER 38 CO -0.37 -0.54 0.91 0.11 -0.53 0.00 0.00 176.83 176.40 1x4t h LYS 39 N -0.85 0.10 0.21 2.24 1.79 -1.10 0.42 116.57 119.38 1x4t h LYS 39 Ca -0.06 -0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.06 1x4t h LYS 39 Cb 0.70 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1x4t h LYS 39 CO 0.05 0.07 -1.64 0.87 -1.08 0.00 0.00 179.45 177.72 1x4t h LYS 40 N 0.10 0.44 -0.92 3.15 1.57 -0.62 -3.33 116.57 116.96 1x4t h LYS 40 Ca 0.68 -0.75 0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1x4t h LYS 40 Cb 2.41 0.28 -0.08 0.00 0.08 0.00 0.00 32.23 34.92 1x4t h LYS 40 CO -0.16 1.35 0.59 0.28 -0.57 0.00 0.00 179.45 180.94 1x4t h VAL 41 N 0.12 0.83 0.63 0.50 2.07 0.30 -2.30 116.25 118.40 1x4t h VAL 41 Ca -0.31 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1x4t h VAL 41 Cb 2.12 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1x4t h VAL 41 CO 0.21 0.13 -0.30 0.00 0.02 0.00 0.00 177.57 177.63 1x4t h ALA 42 N 1.59 -0.85 -1.02 1.67 0.00 -1.44 -0.11 119.26 119.11 1x4t h ALA 42 Ca 0.47 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.45 1x4t h ALA 42 Cb 0.72 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1x4t h ALA 42 CO -0.23 -0.95 0.68 1.96 0.00 0.00 0.00 179.25 180.71 1x4t h GLN 43 N -0.90 0.26 -0.02 0.00 4.20 -1.54 0.10 115.11 117.22 1x4t h GLN 43 Ca -0.09 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 1x4t h GLN 43 Cb 0.67 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.40 1x4t h GLN 43 CO 0.14 0.17 -0.72 0.82 -0.67 0.00 0.00 178.83 178.57 1x4t h ILE 44 N 0.27 1.37 0.00 2.54 1.08 -1.08 -3.21 117.51 118.48 1x4t h ILE 44 Ca 0.54 -2.09 -0.01 0.00 -0.39 0.00 0.00 64.86 62.91 1x4t h ILE 44 Cb 1.60 2.45 -0.00 0.00 -3.07 0.00 0.00 36.82 37.80 1x4t h ILE 44 CO -0.18 0.62 -0.07 1.56 -0.69 0.00 0.00 178.15 179.40 1x4t h GLN 45 N 0.10 0.00 -0.12 2.37 1.08 0.11 -2.60 115.11 116.05 1x4t h GLN 45 Ca -0.08 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1x4t h GLN 45 Cb 1.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1x4t h GLN 45 CO 0.14 0.07 0.05 -0.91 -0.95 0.00 0.00 178.83 177.23 1x4t h ASN 46 N 0.00 0.16 -4.75 1.46 2.35 -1.16 -3.47 115.58 110.17 1x4t h ASN 46 Ca -0.00 -0.15 -0.38 0.00 -0.55 0.00 0.00 56.30 55.21 1x4t h ASN 46 Cb 0.12 -0.04 0.09 0.00 0.05 0.00 0.00 38.32 38.54 1x4t h ASN 46 CO 0.01 0.27 -0.60 0.00 -1.65 0.00 0.00 177.43 175.46 1x4t n ALA 47 N -2.21 -1.04 -2.17 -0.83 0.00 -0.98 -4.89 120.51 108.39 1x4t n ALA 47 Ca -0.05 0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.74 1x4t n ALA 47 Cb 0.11 -4.32 0.04 0.00 0.00 0.00 0.00 19.45 15.28 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 -1.66 1.43 0.02 0.00 0.00 -1.26 -4.79 105.19 98.93 1x4t n GLY 48 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 0.08 0.00 0.00 0.99 4.77 -1.26 -5.11 117.00 116.47 1x4t n LEU 49 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1x4t n LEU 49 Cb 0.93 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1x4t n LEU 49 CO -0.02 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1x4t n GLY 50 N 1.96 3.09 0.30 -0.72 0.00 -1.26 -4.60 105.19 103.96 1x4t n GLY 50 Ca -0.07 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 0.92 -0.31 -0.34 1.61 1.02 -1.26 0.15 120.64 122.43 1x4t n GLU 51 Ca 0.00 1.10 0.19 0.00 -0.02 0.00 0.00 57.16 58.43 1x4t n GLU 51 Cb 0.00 -1.62 0.37 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.19 0.48 -0.32 -0.00 -2.00 0.24 116.94 115.54 1x4t h PHE 52 Ca 0.11 0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 58.12 1x4t h PHE 52 Cb 0.29 0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1x4t h PHE 52 CO -0.76 -0.45 -0.23 0.00 -0.00 0.00 0.00 178.31 176.87 1x4t h ARG 53 N 0.01 -0.62 -1.02 6.09 2.47 0.11 -2.63 114.38 118.79 1x4t h ARG 53 Ca 0.67 0.04 0.28 0.00 -1.26 0.00 0.00 59.98 59.72 1x4t h ARG 53 Cb 1.51 0.14 -0.13 0.00 -1.65 0.00 0.00 29.97 29.84 1x4t h ARG 53 CO -0.88 -0.35 0.60 0.82 0.56 0.00 0.00 179.97 180.72 1x4t h ILE 54 N -1.10 0.43 0.02 2.04 5.03 0.14 0.81 117.51 124.88 1x4t h ILE 54 Ca -0.07 -0.15 -0.00 0.00 -0.12 0.00 0.00 64.86 64.52 1x4t h ILE 54 Cb 0.56 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 1x4t h ILE 54 CO 0.11 0.08 -0.01 0.03 -0.68 0.00 0.00 178.15 177.68 1x4t h ARG 55 N 0.45 -0.02 -0.92 2.37 2.47 -0.61 -0.51 114.38 117.61 1x4t h ARG 55 Ca 0.68 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.47 1x4t h ARG 55 Cb 1.48 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.74 1x4t h ARG 55 CO -0.51 0.18 0.58 0.22 0.56 0.00 0.00 179.97 181.00 1x4t h ASP 56 N -0.22 0.92 0.32 7.04 3.58 -0.52 -0.94 116.42 126.59 1x4t h ASP 56 Ca -0.00 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1x4t h ASP 56 Cb 0.21 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1x4t h ASP 56 CO 0.00 0.59 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.73 1x4t h LEU 57 N 1.05 -0.36 -1.09 2.28 3.38 -1.00 -2.95 115.31 116.62 1x4t h LEU 57 Ca 0.40 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.72 1x4t h LEU 57 Cb 0.17 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.87 1x4t h LEU 57 CO -0.17 -0.18 0.61 0.78 0.09 0.00 0.00 178.44 179.57 1x4t h ASN 58 N -0.58 0.47 -0.61 -0.43 2.35 -1.05 0.54 115.58 116.27 1x4t h ASN 58 Ca -0.04 0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1x4t h ASN 58 Cb 0.33 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1x4t h ASN 58 CO 0.07 -0.14 0.33 -0.78 -1.65 0.00 0.00 177.43 175.27 1x4t h ASP 59 N 0.28 0.50 -0.15 5.81 3.58 -1.15 -2.67 116.42 122.61 1x4t h ASP 59 Ca 0.74 0.03 -0.15 0.00 0.42 0.00 0.00 57.03 58.06 1x4t h ASP 59 Cb 1.81 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.79 1x4t h ASP 59 CO -0.56 0.33 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.30 1x4t h GLU 60 N 0.63 0.60 -0.92 0.28 4.39 0.18 -3.22 114.58 116.53 1x4t h GLU 60 Ca 0.27 -0.45 0.16 0.00 0.34 0.00 0.00 59.36 59.67 1x4t h GLU 60 Cb 0.15 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 28.72 1x4t h GLU 60 CO -0.16 1.07 -0.31 -0.89 -1.16 0.00 0.00 179.01 177.56 1x4t n ILE 61 N -4.19 -0.45 -0.02 3.13 2.08 -0.17 0.18 119.36 119.91 1x4t n ILE 61 Ca -0.07 2.13 -0.11 0.00 0.56 0.00 0.00 62.75 65.25 1x4t n ILE 61 Cb 0.60 -2.86 -0.06 0.00 -0.75 0.00 0.00 39.64 36.57 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 0.16 -0.78 4.38 2.35 -1.60 -1.11 115.58 118.98 1x4t h ASN 62 Ca 0.36 -0.17 0.15 0.00 -0.55 0.00 0.00 56.30 56.09 1x4t h ASN 62 Cb 0.59 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 1x4t h ASN 62 CO -0.92 0.29 0.52 0.11 -1.65 0.00 0.00 177.43 175.78 1x4t h LYS 63 N 0.02 0.45 -0.01 0.81 1.79 -0.28 0.89 116.57 120.24 1x4t h LYS 63 Ca 0.04 -0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.22 1x4t h LYS 63 Cb 0.18 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1x4t h LYS 63 CO -0.00 0.30 -1.03 -0.07 -1.08 0.00 0.00 179.45 177.57 1x4t h LEU 64 N 0.46 0.92 0.15 2.94 3.38 -0.16 -3.21 115.31 119.80 1x4t h LEU 64 Ca 0.38 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1x4t h LEU 64 Cb 0.83 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1x4t h LEU 64 CO -0.13 1.53 -0.07 0.25 0.09 0.00 0.00 178.44 180.10 1x4t h LEU 65 N 0.41 -0.17 -0.91 1.67 5.85 0.12 -2.95 115.31 119.33 1x4t h LEU 65 Ca -0.12 -0.17 0.24 0.00 0.84 0.00 0.00 57.88 58.66 1x4t h LEU 65 Cb 1.68 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.62 1x4t h LEU 65 CO 0.20 0.08 0.38 0.03 -0.34 0.00 0.00 178.44 178.79 1x4t h ARG 66 N -0.43 0.34 -0.93 1.25 3.08 -1.00 0.36 114.38 117.05 1x4t h ARG 66 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x4t h ARG 66 Cb 0.34 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1x4t h ARG 66 CO 0.03 0.22 0.58 1.49 -1.07 0.00 0.00 179.97 181.23 1x4t h GLU 67 N 0.35 1.25 0.03 0.04 4.57 -1.53 -2.84 114.58 116.46 1x4t h GLU 67 Ca 0.58 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1x4t h GLU 67 Cb 1.16 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1x4t h GLU 67 CO -0.57 0.86 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.89 1x4t h LYS 68 N 1.28 -0.04 -0.25 1.92 3.64 -0.15 -1.21 116.57 121.76 1x4t h LYS 68 Ca 0.34 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1x4t h LYS 68 Cb -0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1x4t h LYS 68 CO -0.07 0.03 0.51 0.78 -2.27 0.00 0.00 179.45 178.43 1x4t h GLY 69 N -0.10 0.00 0.53 5.01 0.00 -1.13 0.18 103.07 107.56 1x4t h GLY 69 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1x4t h GLY 69 CO 0.01 0.00 -2.06 1.42 0.00 0.00 0.00 176.54 175.91 1x4t n HIS 70 N -3.21 1.10 0.04 5.60 8.25 -0.80 -3.86 115.22 122.34 1x4t n HIS 70 Ca 0.04 0.23 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1x4t n HIS 70 Cb 0.63 -1.14 -0.01 0.00 1.12 0.00 0.00 29.99 30.59 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 0.06 -0.12 -1.43 4.41 4.06 0.26 0.54 115.95 123.73 1x4t h TRP 71 Ca -0.44 -0.00 0.44 0.00 2.06 0.00 0.00 58.89 60.94 1x4t h TRP 71 Cb 2.02 0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 30.12 1x4t h TRP 71 CO 0.07 -0.08 0.97 0.93 -3.56 0.00 0.00 178.44 176.78 1x4t h GLU 72 N -0.32 0.08 0.14 0.49 5.08 -1.01 0.42 114.58 119.46 1x4t h GLU 72 Ca -0.01 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1x4t h GLU 72 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1x4t h GLU 72 CO 0.02 0.05 -1.61 0.28 -1.00 0.00 0.00 179.01 176.76 1x4t h VAL 73 N 0.08 0.95 -0.07 3.13 2.07 -1.67 -3.07 116.25 117.66 1x4t h VAL 73 Ca 0.79 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1x4t h VAL 73 Cb 2.72 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 35.19 1x4t h VAL 73 CO -0.25 0.78 0.09 -0.09 0.02 0.00 0.00 177.57 178.12 1x4t h ARG 74 N -0.11 0.00 -0.06 1.57 9.65 0.43 -0.15 114.38 125.71 1x4t h ARG 74 Ca -0.33 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.40 1x4t h ARG 74 Cb 1.92 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.48 1x4t h ARG 74 CO 0.10 0.00 -0.60 0.82 2.80 0.00 0.00 179.97 183.09 1x4t h ILE 75 N 0.00 1.39 0.14 1.20 2.04 -1.00 -2.62 117.51 118.67 1x4t h ILE 75 Ca 0.03 -1.98 -0.30 0.00 1.00 0.00 0.00 64.86 63.61 1x4t h ILE 75 Cb 0.21 2.01 0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1x4t h ILE 75 CO -0.00 0.58 -1.28 0.50 0.00 0.00 0.00 178.15 177.96 1x4t h LYS 76 N 0.15 0.53 0.00 2.37 3.64 -0.87 0.11 116.57 122.51 1x4t h LYS 76 Ca -0.01 -0.76 -0.00 0.00 -1.27 0.00 0.00 60.65 58.61 1x4t h LYS 76 Cb 1.10 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1x4t h LYS 76 CO 0.09 1.34 -0.01 0.93 -2.27 0.00 0.00 179.45 179.54 1x4t h GLU 77 N 0.21 0.00 0.00 1.90 5.08 -1.39 -2.23 114.58 118.15 1x4t h GLU 77 Ca -0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1x4t h GLU 77 Cb 1.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 1x4t h GLU 77 CO 0.24 0.01 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.55 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 3.38 -1.47 -3.47 115.31 115.08 1x4t h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4t h LEU 78 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1x4t h LEU 78 CO 0.00 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1x4t n GLY 79 N 1.21 1.59 0.00 0.83 0.00 -0.84 -5.01 105.19 102.97 1x4t n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.00 3.69 -0.02 0.00 0.39 -5.00 105.19 108.24 1x4t n GLY 80 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 2.42 0.70 -0.26 1.61 0.04 -1.26 -4.40 135.00 133.86 1x4t s PRO 81 Ca 0.00 0.63 -0.04 0.00 0.04 0.00 0.00 61.00 61.63 1x4t s PRO 81 Cb 0.00 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1x4t s PRO 81 CO 0.00 -2.58 -0.01 0.16 0.04 0.00 0.00 177.00 174.61 1x4t s ASP 82 N -3.43 4.57 -0.07 6.66 -4.77 -1.26 -2.78 116.67 115.58 1x4t s ASP 82 Ca 0.65 -0.71 0.07 0.00 -3.30 0.00 0.00 52.55 49.25 1x4t s ASP 82 Cb -0.18 -1.75 -0.10 0.00 -1.09 0.00 0.00 42.92 39.80 1x4t s ASP 82 CO 0.57 -0.12 0.05 -1.22 0.70 0.00 0.00 175.17 175.15 1x4t n TYR 83 N 4.76 0.00 -0.03 2.11 4.01 -1.16 -4.60 117.16 122.24 1x4t n TYR 83 Ca -0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.41 1x4t n TYR 83 Cb 0.48 -0.35 -0.14 0.00 -0.31 0.00 0.00 39.34 39.03 1x4t n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4t n GLY 84 N 2.47 -0.65 0.16 2.72 0.00 -1.21 -3.75 105.19 104.93 1x4t n GLY 84 Ca -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1x4t n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x4t h LYS 85 N 0.04 0.05 -0.56 1.61 1.63 -1.85 -2.07 116.57 115.43 1x4t h LYS 85 Ca -0.43 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 1x4t h LYS 85 Cb 2.02 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.62 1x4t h LYS 85 CO 0.05 0.04 0.20 -0.39 -3.45 0.00 0.00 179.45 175.90 1x4t h VAL 86 N 0.06 1.23 -1.84 2.00 -1.51 -1.81 -3.39 116.25 110.98 1x4t h VAL 86 Ca 0.18 -0.74 -0.48 0.00 -1.23 0.00 0.00 66.70 64.43 1x4t h VAL 86 Cb 0.26 0.67 -0.04 0.00 -2.13 0.00 0.00 31.29 30.05 1x4t h VAL 86 CO -0.33 0.28 1.25 -0.55 -1.23 0.00 0.00 177.57 176.99 1x4t s SER 87 N -6.10 5.35 0.00 4.19 0.15 -0.78 -4.76 113.70 111.76 1x4t s SER 87 Ca -0.13 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x4t s SER 87 Cb 0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1x4t s SER 87 CO 0.79 -2.36 0.00 0.61 1.20 0.00 0.00 173.24 173.48 1x4t n GLY 88 N 5.84 -3.52 1.66 9.45 0.00 -1.26 -4.89 105.19 112.46 1x4t n GLY 88 Ca 0.21 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 1x4t n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4t n PRO 89 N -0.35 -2.03 -3.17 1.61 -0.04 -1.26 -4.94 135.00 124.82 1x4t n PRO 89 Ca 0.00 -0.83 -0.39 0.00 -0.04 0.00 0.00 63.50 62.24 1x4t n PRO 89 Cb 0.00 -0.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1x4t n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4t s SER 90 N -2.90 6.78 -0.01 3.54 1.04 -1.26 -4.93 113.70 115.95 1x4t s SER 90 Ca 0.34 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.71 1x4t s SER 90 Cb -0.03 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1x4t s SER 90 CO 0.26 -0.12 -0.02 -0.55 0.98 0.00 0.00 173.24 173.78 1x4t s SER 91 N 0.87 0.39 0.00 7.02 0.15 -1.26 -5.23 113.70 115.63 1x4t s SER 91 Ca 0.30 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1x4t s SER 91 Cb -0.16 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1x4t s SER 91 CO 0.13 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.18