#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlt n PRO 2 N 0.00 1.91 0.00 1.61 -0.04 -1.26 -4.68 135.00 132.54 2rlt n PRO 2 Ca 0.00 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 2rlt n PRO 2 Cb 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 2rlt n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rlt n GLY 3 N 4.34 2.13 3.53 0.55 0.00 -1.26 -4.87 105.19 109.62 2rlt n GLY 3 Ca 0.50 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 2rlt n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rlt n GLY 4 N 0.00 0.26 3.77 -0.02 0.00 -1.26 -4.91 105.19 103.03 2rlt n GLY 4 Ca 0.00 0.79 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 2rlt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rlt s SER 5 N 10.46 6.07 -0.05 1.61 1.04 -1.26 -4.72 113.70 126.85 2rlt s SER 5 Ca 1.06 0.29 -0.12 0.00 0.48 0.00 0.00 55.95 57.66 2rlt s SER 5 Cb -0.46 -1.99 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 2rlt s SER 5 CO 0.34 0.30 0.51 1.55 0.98 0.00 0.00 173.24 176.92 2rlt h PRO 6 N 5.80 -0.42 -5.80 4.02 0.13 -2.00 -3.46 132.00 130.27 2rlt h PRO 6 Ca -0.47 0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 64.06 2rlt h PRO 6 Cb 1.19 0.10 -0.31 0.00 0.13 0.00 0.00 31.00 32.11 2rlt h PRO 6 CO 0.65 -0.28 -0.86 0.20 -0.23 0.00 0.00 178.00 177.48 2rlt s GLY 7 N -3.02 1.09 0.00 1.56 0.00 -1.26 -4.87 107.32 100.83 2rlt s GLY 7 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2rlt s GLY 7 CO 0.19 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.32 2rlt n GLY 8 N 2.89 0.62 0.09 0.20 0.00 -1.26 -5.06 105.19 102.67 2rlt n GLY 8 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2rlt n GLY 8 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rlt h LEU 9 N 0.00 0.12 -2.19 0.99 -0.00 -1.93 -3.48 115.31 108.83 2rlt h LEU 9 Ca 0.00 -0.83 -0.60 0.00 -0.00 0.00 0.00 57.88 56.45 2rlt h LEU 9 Cb 0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 40.66 40.45 2rlt h LEU 9 CO 0.00 1.30 -0.96 0.00 -0.00 0.00 0.00 178.44 178.78 2rlt n GLN 10 N -4.38 -1.22 0.00 1.13 1.13 -1.25 -4.79 117.38 108.00 2rlt n GLN 10 Ca -0.19 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 2rlt n GLN 10 Cb 0.65 -3.65 0.00 0.00 0.11 0.00 0.00 30.24 27.36 2rlt n GLN 10 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2rlt n LYS 11 N -4.59 0.24 -3.19 -1.09 2.85 -1.21 -3.86 118.16 107.31 2rlt n LYS 11 Ca -0.31 -0.24 -0.04 0.00 -1.05 0.00 0.00 58.31 56.67 2rlt n LYS 11 Cb 0.69 -0.70 -0.02 0.00 -0.65 0.00 0.00 35.03 34.34 2rlt n LYS 11 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2rlt s ARG 12 N -0.10 0.82 -0.00 -1.58 0.52 -1.11 0.55 118.95 118.04 2rlt s ARG 12 Ca 0.00 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2rlt s ARG 12 Cb 0.00 -0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.36 2rlt s ARG 12 CO 0.00 -1.22 0.88 -2.39 0.02 0.00 0.00 175.30 172.59 2rlt n HIS 13 N 4.14 0.05 0.00 -0.53 1.44 -1.26 -4.79 115.22 114.27 2rlt n HIS 13 Ca 0.12 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2rlt n HIS 13 Cb 0.54 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.62 2rlt n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rlt n ALA 14 N -0.29 0.00 -1.06 1.59 0.00 -1.26 -4.07 120.51 115.42 2rlt n ALA 14 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2rlt n ALA 14 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 2rlt n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rlt n ARG 15 N -0.16 1.39 -4.36 0.00 0.63 -1.26 -4.94 116.66 107.97 2rlt n ARG 15 Ca 0.00 -1.74 -0.31 0.00 -0.92 0.00 0.00 57.85 54.88 2rlt n ARG 15 Cb 0.00 -2.85 -0.10 0.00 0.45 0.00 0.00 32.46 29.96 2rlt n ARG 15 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2rlt s VAL 16 N 5.08 3.69 -0.05 5.15 -7.23 -1.26 -5.09 120.40 120.68 2rlt s VAL 16 Ca 0.57 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2rlt s VAL 16 Cb 0.14 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2rlt s VAL 16 CO 0.13 0.30 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.33 2rlt s VAL 18 N -1.09 1.66 -1.13 1.32 1.01 -1.26 -4.43 120.40 116.48 2rlt s VAL 18 Ca 0.19 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2rlt s VAL 18 Cb -0.11 -1.42 0.27 0.00 0.00 0.00 0.00 36.38 35.12 2rlt s VAL 18 CO 0.10 0.47 1.66 0.29 0.00 0.00 0.00 175.10 177.63 2rlt n LYS 19 N 3.07 4.43 -3.26 2.72 5.02 -1.26 -4.44 118.16 124.43 2rlt n LYS 19 Ca -0.18 -4.29 -0.25 0.00 -2.02 0.00 0.00 58.31 51.57 2rlt n LYS 19 Cb 0.53 -2.60 -0.07 0.00 -0.02 0.00 0.00 35.03 32.86 2rlt n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2rlt n TYR 20 N 1.71 1.28 -1.01 2.13 4.02 -1.26 -4.87 117.16 119.15 2rlt n TYR 20 Ca 0.33 -3.81 0.09 0.00 -0.01 0.00 0.00 57.90 54.51 2rlt n TYR 20 Cb 0.32 -0.43 0.21 0.00 -0.02 0.00 0.00 39.34 39.41 2rlt n TYR 20 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2rlt n ASP 21 N 1.09 3.20 -3.33 7.72 8.00 -1.26 -4.10 116.55 127.87 2rlt n ASP 21 Ca 0.25 -3.03 -0.13 0.00 0.71 0.00 0.00 54.79 52.59 2rlt n ASP 21 Cb 0.49 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2rlt n ASP 21 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2rlt s ARG 22 N -2.82 0.62 -0.01 -1.24 3.52 -1.26 -4.99 118.95 112.76 2rlt s ARG 22 Ca 0.37 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 2rlt s ARG 22 Cb 0.31 -0.53 0.12 0.00 -1.56 0.00 0.00 34.95 33.29 2rlt s ARG 22 CO 0.06 -1.16 1.28 0.50 -0.81 0.00 0.00 175.30 175.17 2rlt s ARG 23 N 1.71 0.41 0.45 5.12 6.06 -1.26 -5.01 118.95 126.42 2rlt s ARG 23 Ca 0.15 -0.23 0.25 0.00 -2.50 0.00 0.00 55.73 53.40 2rlt s ARG 23 Cb -0.13 0.14 0.56 0.00 0.06 0.00 0.00 34.95 35.58 2rlt s ARG 23 CO -0.09 -0.19 1.68 0.93 -2.50 0.00 0.00 175.30 175.13 2rlt h GLU 24 N 2.00 0.00 0.00 5.12 3.07 -2.00 -3.46 114.58 119.31 2rlt h GLU 24 Ca -0.30 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.44 2rlt h GLU 24 Cb 1.20 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.18 2rlt h GLU 24 CO 0.28 0.06 -0.05 1.47 -1.40 0.00 0.00 179.01 179.37 2rlt n LEU 25 N -3.13 0.00 -0.29 1.33 -0.00 -1.26 -4.96 117.00 108.70 2rlt n LEU 25 Ca 0.03 -0.27 0.02 0.00 -0.00 0.00 0.00 56.01 55.79 2rlt n LEU 25 Cb 0.50 -0.42 0.03 0.00 -0.00 0.00 0.00 43.42 43.53 2rlt n LEU 25 CO 0.33 -1.93 0.33 0.00 -0.00 0.00 0.00 177.39 176.13 2rlt n GLN 26 N -1.70 0.48 -0.22 1.47 3.00 -1.26 -4.77 117.38 114.38 2rlt n GLN 26 Ca 0.04 -1.28 0.08 0.00 -0.01 0.00 0.00 57.00 55.84 2rlt n GLN 26 Cb 0.19 -0.74 0.17 0.00 0.00 0.00 0.00 30.24 29.85 2rlt n GLN 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2rlt n ARG 27 N -0.34 2.22 -0.04 -1.09 5.12 -1.26 -4.73 116.66 116.55 2rlt n ARG 27 Ca 0.03 -2.53 -0.06 0.00 -1.93 0.00 0.00 57.85 53.37 2rlt n ARG 27 Cb 0.62 -1.56 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 2rlt n ARG 27 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2rlt h ARG 28 N 0.86 -0.04 -0.77 5.56 0.11 -1.86 0.13 114.38 118.37 2rlt h ARG 28 Ca 0.00 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.21 2rlt h ARG 28 Cb 1.10 0.01 -0.09 0.00 1.11 0.00 0.00 29.97 32.10 2rlt h ARG 28 CO 0.09 0.33 0.36 -0.07 0.10 0.00 0.00 179.97 180.78 2rlt h LEU 29 N -0.99 0.42 -1.44 0.08 -0.00 -1.85 1.43 115.31 112.96 2rlt h LEU 29 Ca -0.00 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2rlt h LEU 29 Cb 0.39 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2rlt h LEU 29 CO 0.01 0.20 -0.16 -0.78 -0.00 0.00 0.00 178.44 177.70 2rlt h ASP 30 N 0.56 0.00 0.20 -0.43 1.82 -1.85 -2.74 116.42 113.98 2rlt h ASP 30 Ca 0.41 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.06 2rlt h ASP 30 Cb 0.54 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 2rlt h ASP 30 CO -0.34 0.16 -0.30 1.62 -1.61 0.00 0.00 179.24 178.77 2rlt h VAL 31 N 0.00 0.36 -0.15 2.25 3.04 0.48 2.60 116.25 124.83 2rlt h VAL 31 Ca -0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 2rlt h VAL 31 Cb 0.58 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2rlt h VAL 31 CO 0.02 0.00 -0.62 -0.33 -1.01 0.00 0.00 177.57 175.63 2rlt h GLU 32 N -0.57 0.53 -0.02 4.17 5.08 -1.44 -2.93 114.58 119.40 2rlt h GLU 32 Ca 0.01 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.80 2rlt h GLU 32 Cb 0.56 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2rlt h GLU 32 CO -0.13 0.99 -0.86 -0.22 -1.00 0.00 0.00 179.01 177.79 2rlt h LYS 33 N 0.39 0.32 0.01 2.33 3.64 -1.15 -2.66 116.57 119.45 2rlt h LYS 33 Ca -0.01 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2rlt h LYS 33 Cb 1.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2rlt h LYS 33 CO 0.11 1.00 -0.00 0.11 -2.27 0.00 0.00 179.45 178.40 2rlt h TRP 34 N 0.19 -0.01 -0.11 1.91 5.08 0.45 -2.53 115.95 120.93 2rlt h TRP 34 Ca -0.05 -0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.85 2rlt h TRP 34 Cb 1.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.64 2rlt h TRP 34 CO 0.04 0.50 -0.20 0.97 -1.28 0.00 0.00 178.44 178.47 2rlt h ILE 35 N -0.53 1.38 -0.73 0.12 -0.00 -1.63 -0.96 117.51 115.16 2rlt h ILE 35 Ca -0.00 -1.46 0.07 0.00 -0.00 0.00 0.00 64.86 63.46 2rlt h ILE 35 Cb 0.52 2.06 -0.06 0.00 -0.00 0.00 0.00 36.82 39.34 2rlt h ILE 35 CO 0.00 0.42 0.41 -0.78 -0.00 0.00 0.00 178.15 178.21 2rlt h ASP 36 N -0.08 0.61 1.01 2.19 1.82 -1.59 0.23 116.42 120.60 2rlt h ASP 36 Ca 0.01 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2rlt h ASP 36 Cb 0.78 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 2rlt h ASP 36 CO 0.05 0.38 -0.09 1.23 -1.61 0.00 0.00 179.24 179.20 2rlt h GLY 37 N 0.75 0.00 0.07 -0.78 0.00 -1.43 -2.57 103.07 99.11 2rlt h GLY 37 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2rlt h GLY 37 CO -0.20 0.00 -0.03 -0.09 0.00 0.00 0.00 176.54 176.22 2rlt h ARG 38 N 0.00 -0.09 -0.50 4.80 9.65 0.88 -1.82 114.38 127.30 2rlt h ARG 38 Ca -0.00 0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.03 2rlt h ARG 38 Cb 0.62 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2rlt h ARG 38 CO 0.01 -0.06 0.47 -0.07 2.80 0.00 0.00 179.97 183.12 2rlt h LEU 39 N -0.12 0.00 -1.36 3.80 -0.00 -1.51 0.96 115.31 117.08 2rlt h LEU 39 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2rlt h LEU 39 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2rlt h LEU 39 CO 0.02 0.00 0.16 -0.08 -0.00 0.00 0.00 178.44 178.53 2rlt h GLU 40 N 0.00 0.59 0.00 1.13 4.57 0.54 -2.93 114.58 118.48 2rlt h GLU 40 Ca 0.24 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2rlt h GLU 40 Cb 1.18 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2rlt h GLU 40 CO -0.00 0.50 0.00 -1.91 -1.18 0.00 0.00 179.01 176.42 2rlt n GLU 41 N -4.37 0.00 0.00 1.92 2.13 0.31 -4.30 120.64 116.33 2rlt n GLU 41 Ca 0.03 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2rlt n GLU 41 Cb 0.15 -0.69 0.00 0.00 0.27 0.00 0.00 31.44 31.17 2rlt n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2rlt n LEU 42 N -2.25 0.00 0.00 4.31 7.94 0.35 -4.86 117.00 122.48 2rlt n LEU 42 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2rlt n LEU 42 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2rlt n LEU 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 2rlt n TYR 43 N 0.00 0.00 -2.39 1.96 0.18 -1.25 -4.72 117.16 110.94 2rlt n TYR 43 Ca 0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 2rlt n TYR 43 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 2rlt n TYR 43 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2rlt n ARG 44 N 0.00 -4.22 0.00 -3.48 3.00 -1.26 -3.94 116.66 106.76 2rlt n ARG 44 Ca 0.00 3.09 0.00 0.00 -0.00 0.00 0.00 57.85 60.94 2rlt n ARG 44 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 32.46 28.41 2rlt n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rlt n GLY 45 N 1.89 0.07 2.08 5.14 0.00 -1.26 -4.64 105.19 108.47 2rlt n GLY 45 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2rlt n GLY 45 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2rlt n ARG 46 N 0.00 0.00 0.00 1.61 1.85 -1.26 -5.00 116.66 113.86 2rlt n ARG 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2rlt n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2rlt n ARG 46 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2rlt n GLU 47 N -3.33 0.00 0.13 2.89 -0.58 -1.26 -4.76 120.64 113.74 2rlt n GLU 47 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2rlt n GLU 47 Cb 0.00 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.06 2rlt n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rlt n ALA 48 N -3.00 0.41 0.00 0.62 0.00 -1.26 -3.71 120.51 113.57 2rlt n ALA 48 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2rlt n ALA 48 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2rlt n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rlt n ASP 49 N -1.81 0.00 -4.79 0.00 -0.08 -1.26 -4.04 116.55 104.57 2rlt n ASP 49 Ca -0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.98 2rlt n ASP 49 Cb 0.44 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.02 2rlt n ASP 49 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2rlt s MET 50 N -2.88 1.43 0.82 -0.67 -1.94 -1.24 -4.34 119.30 110.49 2rlt s MET 50 Ca 0.00 0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 54.27 2rlt s MET 50 Cb 0.00 -1.86 0.08 0.00 2.01 0.00 0.00 34.83 35.06 2rlt s MET 50 CO 0.00 -2.02 1.09 -1.25 -0.01 0.00 0.00 175.02 172.83 2rlt s PRO 51 N -5.24 1.87 -0.30 2.03 0.04 -1.26 -4.71 135.00 127.44 2rlt s PRO 51 Ca 0.63 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 2rlt s PRO 51 Cb -0.15 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.71 2rlt s PRO 51 CO 0.54 -1.86 0.93 0.34 0.04 0.00 0.00 177.00 176.99 2rlt s ASP 52 N -3.46 -0.72 -0.30 6.66 2.15 -1.26 -4.84 116.67 114.90 2rlt s ASP 52 Ca 0.62 0.29 -0.13 0.00 0.43 0.00 0.00 52.55 53.75 2rlt s ASP 52 Cb -0.17 1.54 0.17 0.00 -0.30 0.00 0.00 42.92 44.16 2rlt s ASP 52 CO 0.56 -0.13 0.98 -1.83 -0.17 0.00 0.00 175.17 174.58 2rlt s GLU 53 N 2.93 0.28 0.00 4.34 1.03 -1.26 -5.00 118.70 121.01 2rlt s GLU 53 Ca 0.12 0.61 0.00 0.00 0.03 0.00 0.00 54.97 55.72 2rlt s GLU 53 Cb -0.08 0.36 0.00 0.00 -0.80 0.00 0.00 34.13 33.60 2rlt s GLU 53 CO -0.18 -0.18 0.00 1.33 -1.33 0.00 0.00 175.26 174.90 2rlt n VAL 54 N 5.18 0.00 -0.23 1.83 0.24 -1.26 -4.91 118.33 119.18 2rlt n VAL 54 Ca -0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 2rlt n VAL 54 Cb 0.53 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 2rlt n VAL 54 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2rlt n ASN 55 N -0.17 -0.57 -0.37 -1.34 5.15 -1.26 -0.24 115.26 116.46 2rlt n ASN 55 Ca 0.00 1.37 0.37 0.00 -0.60 0.00 0.00 54.58 55.72 2rlt n ASN 55 Cb 0.00 -0.33 0.61 0.00 -0.53 0.00 0.00 39.78 39.54 2rlt n ASN 55 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 2rlt h ILE 56 N 0.00 0.06 0.28 -1.44 -2.65 -1.92 -0.70 117.51 111.15 2rlt h ILE 56 Ca 0.09 0.00 -0.00 0.00 1.03 0.00 0.00 64.86 65.97 2rlt h ILE 56 Cb 0.22 0.09 -0.01 0.00 -2.05 0.00 0.00 36.82 35.06 2rlt h ILE 56 CO -0.51 0.00 -0.23 -0.78 0.03 0.00 0.00 178.15 176.66 2rlt h ASP 57 N 0.00 -0.60 0.67 2.16 3.58 -1.02 1.13 116.42 122.33 2rlt h ASP 57 Ca 0.63 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 58.09 2rlt h ASP 57 Cb 3.03 0.20 0.01 0.00 1.72 0.00 0.00 39.33 44.28 2rlt h ASP 57 CO -0.01 -0.35 -0.32 -0.08 -2.88 0.00 0.00 179.24 175.61 2rlt h GLU 58 N -0.52 -0.86 -0.29 0.28 4.57 -1.26 -2.76 114.58 113.73 2rlt h GLU 58 Ca -0.02 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2rlt h GLU 58 Cb 0.46 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2rlt h GLU 58 CO -0.02 -0.57 0.20 1.37 -1.18 0.00 0.00 179.01 178.81 2rlt h LEU 59 N -0.92 0.13 -0.20 1.64 8.10 -1.58 0.14 115.31 122.62 2rlt h LEU 59 Ca -0.09 -0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.95 2rlt h LEU 59 Cb 0.69 -0.03 -0.05 0.00 -0.44 0.00 0.00 40.66 40.83 2rlt h LEU 59 CO 0.15 0.08 -0.11 0.25 -4.11 0.00 0.00 178.44 174.70 2rlt h LEU 60 N 0.15 -0.37 -5.00 0.17 6.46 0.16 -3.41 115.31 113.47 2rlt h LEU 60 Ca 0.13 0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.85 2rlt h LEU 60 Cb 0.34 0.20 -0.14 0.00 -0.73 0.00 0.00 40.66 40.33 2rlt h LEU 60 CO -0.02 -0.15 -0.31 1.21 -0.62 0.00 0.00 178.44 178.55 2rlt n GLU 61 N -5.27 0.45 0.00 1.25 0.00 -0.81 -4.34 120.64 111.92 2rlt n GLU 61 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 57.16 55.78 2rlt n GLU 61 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 31.44 30.74 2rlt n GLU 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2rlt n LEU 62 N 2.00 0.00 0.00 4.31 0.00 0.42 -4.91 117.00 118.81 2rlt n LEU 62 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 2rlt n LEU 62 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 43.42 44.08 2rlt n LEU 62 CO -0.04 -0.26 0.00 1.21 0.00 0.00 0.00 177.39 178.30 2rlt n GLU 63 N -2.02 0.00 -5.18 1.96 2.13 -1.25 -5.04 120.64 111.25 2rlt n GLU 63 Ca 0.00 0.20 -0.32 0.00 0.66 0.00 0.00 57.16 57.70 2rlt n GLU 63 Cb 0.00 -2.79 -0.16 0.00 0.27 0.00 0.00 31.44 28.76 2rlt n GLU 63 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2rlt s SER 64 N -2.40 3.23 0.45 4.31 0.15 -1.26 -5.06 113.70 113.11 2rlt s SER 64 Ca 0.00 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 2rlt s SER 64 Cb 0.00 -1.15 -0.11 0.00 -1.71 0.00 0.00 66.02 63.05 2rlt s SER 64 CO 0.00 0.21 -0.20 -1.84 1.20 0.00 0.00 173.24 172.61 2rlt n GLU 65 N 3.21 0.00 -0.80 5.44 0.28 -1.26 -4.11 120.64 123.40 2rlt n GLU 65 Ca -0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.75 2rlt n GLU 65 Cb 0.52 -0.74 -0.02 0.00 1.43 0.00 0.00 31.44 32.64 2rlt n GLU 65 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2rlt n GLU 66 N 1.27 0.00 -0.12 3.44 0.28 -1.26 -4.55 120.64 119.70 2rlt n GLU 66 Ca 0.04 -0.17 -0.10 0.00 -0.16 0.00 0.00 57.16 56.77 2rlt n GLU 66 Cb 0.36 -1.27 -0.02 0.00 1.43 0.00 0.00 31.44 31.94 2rlt n GLU 66 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2rlt h GLU 67 N 7.14 0.55 -0.11 3.44 4.57 -1.92 -2.55 114.58 125.71 2rlt h GLU 67 Ca 0.04 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2rlt h GLU 67 Cb 0.42 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2rlt h GLU 67 CO 0.67 0.61 0.05 0.00 -1.18 0.00 0.00 179.01 179.15 2rlt h ARG 68 N 0.40 0.15 -1.10 1.92 2.47 -1.83 -1.68 114.38 114.71 2rlt h ARG 68 Ca 0.11 -0.02 0.30 0.00 -1.26 0.00 0.00 59.98 59.11 2rlt h ARG 68 Cb 0.30 -0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.51 2rlt h ARG 68 CO 0.00 0.23 0.73 0.66 0.56 0.00 0.00 179.97 182.15 2rlt h SER 69 N 0.05 0.32 0.38 7.04 4.64 -1.77 1.52 113.55 125.74 2rlt h SER 69 Ca 0.04 0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 2rlt h SER 69 Cb 0.12 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2rlt h SER 69 CO -0.00 0.03 -0.63 0.03 -0.87 0.00 0.00 176.83 175.39 2rlt h ARG 70 N 0.27 0.24 0.61 4.77 3.08 -0.91 -2.58 114.38 119.85 2rlt h ARG 70 Ca 0.61 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.46 2rlt h ARG 70 Cb 1.80 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.89 2rlt h ARG 70 CO -0.25 0.79 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.93 2rlt h LYS 71 N 0.17 -0.79 -0.97 0.04 3.64 0.27 -0.33 116.57 118.61 2rlt h LYS 71 Ca -0.01 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 2rlt h LYS 71 Cb 1.15 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 2rlt h LYS 71 CO 0.10 -0.50 0.58 -0.84 -2.27 0.00 0.00 179.45 176.52 2rlt h ILE 72 N -0.88 0.74 0.00 2.00 -0.00 -1.37 2.21 117.51 120.20 2rlt h ILE 72 Ca -0.08 -0.26 -0.00 0.00 -0.00 0.00 0.00 64.86 64.51 2rlt h ILE 72 Cb 0.65 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.82 37.37 2rlt h ILE 72 CO 0.14 0.14 -0.02 -0.61 -0.00 0.00 0.00 178.15 177.80 2rlt h GLN 73 N 0.77 0.00 -0.05 0.16 -0.00 -0.97 0.55 115.11 115.57 2rlt h GLN 73 Ca 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.18 2rlt h GLN 73 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.28 2rlt h GLN 73 CO -0.37 0.02 -0.05 0.78 0.00 0.00 0.00 178.83 179.21 2rlt h GLY 74 N 0.24 0.13 1.61 2.39 0.00 0.54 3.00 103.07 110.98 2rlt h GLY 74 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 2rlt h GLY 74 CO 0.00 0.12 -1.05 -2.00 0.00 0.00 0.00 176.54 173.61 2rlt h LEU 75 N -0.32 0.45 -0.04 3.11 6.46 -0.85 -3.19 115.31 120.93 2rlt h LEU 75 Ca 0.01 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2rlt h LEU 75 Cb 0.54 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2rlt h LEU 75 CO 0.01 1.25 -0.48 0.18 -0.62 0.00 0.00 178.44 178.78 2rlt n LEU 76 N -3.65 0.54 -0.16 2.25 4.32 0.18 -4.36 117.00 116.12 2rlt n LEU 76 Ca -0.07 -0.02 0.16 0.00 -0.02 0.00 0.00 56.01 56.05 2rlt n LEU 76 Cb 0.91 -0.24 0.29 0.00 -1.62 0.00 0.00 43.42 42.75 2rlt n LEU 76 CO 0.52 0.13 0.53 1.17 -1.22 0.00 0.00 177.39 178.52 2rlt n LYS 77 N -1.43 -0.03 -0.06 3.23 4.81 1.00 0.34 118.16 126.03 2rlt n LYS 77 Ca 0.06 0.70 -0.13 0.00 -0.87 0.00 0.00 58.31 58.07 2rlt n LYS 77 Cb 0.34 -1.25 -0.09 0.00 0.02 0.00 0.00 35.03 34.05 2rlt n LYS 77 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2rlt h SER 78 N 0.00 -1.57 -4.11 3.14 0.02 -1.80 -3.48 113.55 105.75 2rlt h SER 78 Ca 0.42 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 2rlt h SER 78 Cb 1.10 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.27 2rlt h SER 78 CO -0.39 -0.39 -0.84 0.00 -1.14 0.00 0.00 176.83 174.06 2rlt n THR 80 N 0.77 0.00 0.00 0.00 5.66 -1.26 -5.03 114.28 114.42 2rlt n THR 80 Ca 0.00 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2rlt n THR 80 Cb 0.00 1.62 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 2rlt n THR 80 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2rlt n ASN 81 N -0.02 0.00 -0.02 1.09 2.04 -1.26 -4.94 115.26 112.16 2rlt n ASN 81 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2rlt n ASN 81 Cb 0.15 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 2rlt n ASN 81 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 2rlt n PRO 82 N 0.00 0.39 -0.68 -0.53 -0.04 -1.26 -3.75 135.00 129.12 2rlt n PRO 82 Ca 0.00 0.00 0.52 0.00 -0.04 0.00 0.00 63.50 63.98 2rlt n PRO 82 Cb 0.00 -1.01 0.82 0.00 -0.04 0.00 0.00 33.50 33.27 2rlt n PRO 82 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2rlt h THR 83 N 0.00 0.03 -1.64 0.52 2.02 -1.92 1.29 112.91 113.22 2rlt h THR 83 Ca 0.00 -0.00 0.48 0.00 0.77 0.00 0.00 66.41 67.66 2rlt h THR 83 Cb 0.01 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.38 2rlt h THR 83 CO 0.00 0.00 1.18 -0.08 0.37 0.00 0.00 175.52 176.99 2rlt h GLU 84 N 0.00 0.01 0.19 6.66 4.22 -2.00 0.34 114.58 124.00 2rlt h GLU 84 Ca 0.92 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 60.35 2rlt h GLU 84 Cb 3.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.93 2rlt h GLU 84 CO -0.01 0.00 -0.09 -0.91 -2.18 0.00 0.00 179.01 175.82 2rlt h ASN 85 N 0.01 -0.22 -0.31 1.04 4.21 0.13 -0.26 115.58 120.18 2rlt h ASN 85 Ca 0.79 -0.27 0.07 0.00 1.21 0.00 0.00 56.30 58.10 2rlt h ASN 85 Cb 3.14 0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 40.31 2rlt h ASN 85 CO -0.02 0.32 -0.36 0.15 -1.29 0.00 0.00 177.43 176.23 2rlt h PHE 86 N -0.94 -1.00 -0.18 1.19 3.04 -0.51 2.68 116.94 121.22 2rlt h PHE 86 Ca -0.03 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2rlt h PHE 86 Cb 0.47 0.48 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2rlt h PHE 86 CO 0.07 -0.41 0.07 0.28 -2.02 0.00 0.00 178.31 176.29 2rlt h VAL 87 N -0.32 1.17 0.00 1.41 2.07 -1.39 -2.52 116.25 116.66 2rlt h VAL 87 Ca 0.14 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2rlt h VAL 87 Cb 0.56 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2rlt h VAL 87 CO -0.49 0.17 -0.34 0.06 0.02 0.00 0.00 177.57 176.99 2rlt h GLN 88 N 0.13 0.00 0.58 1.57 -0.00 -0.28 -2.65 115.11 114.46 2rlt h GLN 88 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.68 2rlt h GLN 88 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.69 2rlt h GLN 88 CO -0.00 0.34 -0.28 1.49 -0.00 0.00 0.00 178.83 180.38 2rlt h GLU 89 N 0.00 -0.75 -0.91 0.06 4.57 0.50 2.67 114.58 120.72 2rlt h GLU 89 Ca -0.00 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.43 2rlt h GLU 89 Cb 0.75 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.40 2rlt h GLU 89 CO 0.04 -0.50 0.45 -0.07 -1.18 0.00 0.00 179.01 177.76 2rlt h LEU 90 N -1.08 0.48 -0.10 1.64 3.38 -1.50 0.27 115.31 118.40 2rlt h LEU 90 Ca -0.08 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2rlt h LEU 90 Cb 0.60 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2rlt h LEU 90 CO 0.13 0.10 -0.12 0.25 0.09 0.00 0.00 178.44 178.89 2rlt h LEU 91 N 0.52 0.27 -0.94 1.67 5.85 -1.33 -2.82 115.31 118.53 2rlt h LEU 91 Ca 0.54 -0.51 0.13 0.00 0.84 0.00 0.00 57.88 58.89 2rlt h LEU 91 Cb 0.95 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.82 2rlt h LEU 91 CO -0.46 0.73 0.56 0.58 -0.34 0.00 0.00 178.44 179.51 2rlt h VAL 92 N -0.18 0.86 -0.24 1.05 2.07 0.69 -0.54 116.25 119.95 2rlt h VAL 92 Ca 0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2rlt h VAL 92 Cb 0.66 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2rlt h VAL 92 CO 0.03 0.16 0.11 0.11 0.02 0.00 0.00 177.57 178.00 2rlt h LYS 93 N 0.86 0.35 0.00 1.57 1.79 -0.52 -0.79 116.57 119.84 2rlt h LYS 93 Ca 0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2rlt h LYS 93 Cb 0.55 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2rlt h LYS 93 CO -0.29 0.36 0.00 1.28 -1.08 0.00 0.00 179.45 179.72 2rlt n LEU 94 N -4.82 0.25 0.00 2.94 4.77 -0.42 -1.68 117.00 118.03 2rlt n LEU 94 Ca -0.03 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2rlt n LEU 94 Cb 0.10 -0.57 0.36 0.00 -2.33 0.00 0.00 43.42 40.98 2rlt n LEU 94 CO 0.35 -0.50 0.65 -1.14 -1.33 0.00 0.00 177.39 175.43 2rlt n ARG 95 N -1.79 0.80 0.00 3.23 3.00 -0.30 -2.04 116.66 119.57 2rlt n ARG 95 Ca 0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.65 2rlt n ARG 95 Cb 0.12 -1.23 -0.14 0.00 0.00 0.00 0.00 32.46 31.21 2rlt n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rlt n GLY 96 N 0.45 -0.57 0.19 5.14 0.00 -0.68 -3.74 105.19 105.98 2rlt n GLY 96 Ca 0.09 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2rlt n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rlt n LEU 97 N -3.53 1.83 0.06 0.99 4.32 -1.18 -4.37 117.00 115.12 2rlt n LEU 97 Ca -0.32 0.31 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 2rlt n LEU 97 Cb 1.03 -0.73 0.26 0.00 -1.62 0.00 0.00 43.42 42.37 2rlt n LEU 97 CO 0.42 0.07 0.66 1.41 -1.22 0.00 0.00 177.39 178.73 2rlt n HIS 98 N -4.27 0.29 -0.61 -1.77 8.25 -0.86 -5.14 115.22 111.11 2rlt n HIS 98 Ca -0.30 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2rlt n HIS 98 Cb 0.65 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2rlt n HIS 98 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15