#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e s SER 2 N 0.00 5.57 0.77 1.61 0.15 -1.26 -5.07 113.70 115.46 1x5e s SER 2 Ca 0.00 -1.09 -0.17 0.00 0.70 0.00 0.00 55.95 55.39 1x5e s SER 2 Cb 0.00 -1.96 -0.15 0.00 -1.71 0.00 0.00 66.02 62.20 1x5e s SER 2 CO 0.00 -0.37 -0.50 -0.24 1.20 0.00 0.00 173.24 173.33 1x5e n SER 3 N 4.92 -4.92 -2.77 5.45 2.88 -1.26 -5.00 113.62 112.92 1x5e n SER 3 Ca -0.12 0.38 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 1x5e n SER 3 Cb 0.45 -0.79 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 1x5e n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5e n GLY 4 N 3.01 2.86 3.98 0.46 0.00 -1.26 -5.17 105.19 109.07 1x5e n GLY 4 Ca 0.02 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 1x5e n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5e s SER 5 N -2.87 6.10 -0.15 1.61 1.04 -1.26 -5.02 113.70 113.15 1x5e s SER 5 Ca 0.30 -0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.34 1x5e s SER 5 Cb 0.01 -1.50 -0.09 0.00 0.10 0.00 0.00 66.02 64.54 1x5e s SER 5 CO 0.21 -0.27 2.09 -0.24 0.98 0.00 0.00 173.24 176.01 1x5e n SER 6 N -1.53 3.32 0.00 7.02 2.88 -1.26 -4.75 113.62 119.31 1x5e n SER 6 Ca -0.04 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1x5e n SER 6 Cb 0.58 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1x5e n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5e n GLY 7 N 5.32 3.76 0.10 0.46 0.00 -1.26 -5.00 105.19 108.56 1x5e n GLY 7 Ca 0.28 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1x5e n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x5e h ASN 8 N 0.00 0.11 -3.40 1.61 4.21 -1.92 -3.44 115.58 112.75 1x5e h ASN 8 Ca 0.00 -0.09 -0.54 0.00 1.21 0.00 0.00 56.30 56.88 1x5e h ASN 8 Cb 0.00 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1x5e h ASN 8 CO 0.00 0.96 0.39 -0.69 -1.29 0.00 0.00 177.43 176.79 1x5e s VAL 9 N -3.02 4.76 0.14 2.81 1.01 -1.26 -4.58 120.40 120.25 1x5e s VAL 9 Ca -0.01 2.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 1x5e s VAL 9 Cb 0.10 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1x5e s VAL 9 CO 0.82 0.17 0.39 -0.13 0.00 0.00 0.00 175.10 176.34 1x5e s ARG 10 N 0.95 3.65 -0.59 2.72 1.81 0.87 -4.91 118.95 123.46 1x5e s ARG 10 Ca 0.52 -0.02 -0.12 0.00 -1.72 0.00 0.00 55.73 54.39 1x5e s ARG 10 Cb -0.22 -2.85 0.15 0.00 -0.45 0.00 0.00 34.95 31.58 1x5e s ARG 10 CO 0.28 0.47 0.50 0.08 -0.68 0.00 0.00 175.30 175.95 1x5e s VAL 11 N -1.63 4.81 0.21 3.52 1.01 -1.26 -0.03 120.40 127.03 1x5e s VAL 11 Ca 0.40 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 1x5e s VAL 11 Cb -0.12 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1x5e s VAL 11 CO 0.23 -0.87 0.97 -0.63 0.00 0.00 0.00 175.10 174.80 1x5e s ILE 12 N 1.03 4.08 0.15 2.22 -1.09 -1.22 -4.97 121.20 121.40 1x5e s ILE 12 Ca 0.09 1.99 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 1x5e s ILE 12 Cb -0.23 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1x5e s ILE 12 CO -0.02 0.43 0.00 0.35 -1.23 0.00 0.00 174.94 174.48 1x5e n THR 13 N 1.78 0.00 0.62 2.92 -2.24 -1.26 -4.80 114.28 111.29 1x5e n THR 13 Ca -0.01 -0.72 0.05 0.00 -2.27 0.00 0.00 64.05 61.10 1x5e n THR 13 Cb 0.47 0.15 0.30 0.00 -2.10 0.00 0.00 70.33 69.15 1x5e n THR 13 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5e n ASP 14 N -1.14 0.00 -0.00 3.42 5.68 -1.26 -2.27 116.55 120.98 1x5e n ASP 14 Ca -0.06 -0.21 -0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1x5e n ASP 14 Cb 0.19 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1x5e n GLU 15 N -1.08 2.41 0.21 0.11 0.00 -1.26 -4.66 120.64 116.37 1x5e n GLU 15 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.30 1x5e n GLU 15 Cb 0.05 -1.02 0.45 0.00 0.00 0.00 0.00 31.44 30.92 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1x5e h ASN 16 N 0.00 0.00 -0.87 4.31 -0.73 -1.84 -3.21 115.58 113.24 1x5e h ASN 16 Ca -0.02 0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.32 1x5e h ASN 16 Cb 1.04 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.47 1x5e h ASN 16 CO -0.00 0.30 -0.22 -2.67 -0.37 0.00 0.00 177.43 174.47 1x5e n TRP 17 N -3.81 0.30 -0.34 0.67 4.27 -0.96 -0.40 117.44 117.16 1x5e n TRP 17 Ca -0.01 1.06 -0.08 0.00 -3.89 0.00 0.00 57.50 54.58 1x5e n TRP 17 Cb 0.39 -0.99 -0.06 0.00 -1.36 0.00 0.00 31.31 29.28 1x5e n TRP 17 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1x5e n ARG 18 N -5.40 -0.34 -0.33 -2.67 5.12 -1.21 0.17 116.66 112.00 1x5e n ARG 18 Ca 0.14 1.26 0.29 0.00 -1.93 0.00 0.00 57.85 57.60 1x5e n ARG 18 Cb 0.43 -1.85 0.54 0.00 -1.16 0.00 0.00 32.46 30.42 1x5e n ARG 18 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1x5e h GLU 19 N 0.00 0.14 -1.01 5.56 4.39 -0.99 0.94 114.58 123.62 1x5e h GLU 19 Ca 0.16 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1x5e h GLU 19 Cb 0.37 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.90 1x5e h GLU 19 CO -0.79 0.09 0.63 -0.07 -1.16 0.00 0.00 179.01 177.71 1x5e h LEU 20 N 0.14 0.89 -1.65 1.33 3.38 0.16 0.67 115.31 120.23 1x5e h LEU 20 Ca 0.80 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.98 1x5e h LEU 20 Cb 2.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 1x5e h LEU 20 CO -0.69 0.43 0.48 -0.07 0.09 0.00 0.00 178.44 178.68 1x5e h LEU 21 N 0.93 0.32 -9.52 1.67 3.38 0.96 -3.37 115.31 109.69 1x5e h LEU 21 Ca 0.52 0.02 -0.66 0.00 0.09 0.00 0.00 57.88 57.85 1x5e h LEU 21 Cb 0.61 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 1x5e h LEU 21 CO -0.30 0.17 -0.58 -1.83 0.09 0.00 0.00 178.44 175.99 1x5e s GLU 22 N -5.34 3.06 0.31 1.13 -1.05 0.23 0.42 118.70 117.45 1x5e s GLU 22 Ca -0.07 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 1x5e s GLU 22 Cb 0.21 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.04 1x5e s GLU 22 CO 0.76 0.66 0.00 0.41 0.95 0.00 0.00 175.26 178.04 1x5e n GLY 23 N 1.40 -1.86 3.80 -3.83 0.00 -1.26 -4.77 105.19 98.67 1x5e n GLY 23 Ca -0.14 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1x5e n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5e s ASP 24 N -6.68 7.14 -0.12 1.61 1.11 -1.26 -3.14 116.67 115.32 1x5e s ASP 24 Ca 0.00 1.38 -0.05 0.00 0.18 0.00 0.00 52.55 54.06 1x5e s ASP 24 Cb 0.00 -2.40 0.06 0.00 1.07 0.00 0.00 42.92 41.65 1x5e s ASP 24 CO 0.00 0.22 0.26 0.26 1.18 0.00 0.00 175.17 177.09 1x5e s TRP 25 N -1.19 -0.40 -0.39 4.23 0.52 0.95 -3.30 118.94 119.35 1x5e s TRP 25 Ca 0.33 0.93 -0.15 0.00 0.02 0.00 0.00 56.10 57.23 1x5e s TRP 25 Cb -0.20 -0.01 0.01 0.00 -1.15 0.00 0.00 33.47 32.12 1x5e s TRP 25 CO 0.21 -0.32 0.33 -1.64 0.02 0.00 0.00 176.95 175.55 1x5e s MET 26 N 2.12 3.17 0.07 4.98 -1.94 1.00 -0.96 119.30 127.74 1x5e s MET 26 Ca -0.02 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1x5e s MET 26 Cb -0.12 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 32.76 1x5e s MET 26 CO -0.09 -0.69 0.02 0.42 -0.01 0.00 0.00 175.02 174.67 1x5e s ILE 27 N 1.85 4.16 -0.21 2.53 1.01 -0.57 -0.15 121.20 129.82 1x5e s ILE 27 Ca 0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1x5e s ILE 27 Cb -0.18 -2.96 0.09 0.00 0.01 0.00 0.00 42.46 39.43 1x5e s ILE 27 CO 0.11 0.18 0.21 -1.83 0.00 0.00 0.00 174.94 173.61 1x5e s GLU 28 N -2.15 0.19 -0.31 2.79 4.04 -1.23 -0.38 118.70 121.64 1x5e s GLU 28 Ca 0.25 0.12 -0.29 0.00 0.04 0.00 0.00 54.97 55.09 1x5e s GLU 28 Cb -0.12 -1.23 0.00 0.00 0.02 0.00 0.00 34.13 32.80 1x5e s GLU 28 CO 0.17 -0.70 1.35 -0.06 -1.84 0.00 0.00 175.26 174.18 1x5e s PHE 29 N 2.30 2.59 0.35 4.83 0.40 -0.45 -3.59 117.98 124.41 1x5e s PHE 29 Ca 0.07 0.81 0.09 0.00 -0.60 0.00 0.00 56.93 57.30 1x5e s PHE 29 Cb -0.16 -3.98 -0.06 0.00 0.51 0.00 0.00 43.02 39.33 1x5e s PHE 29 CO -0.14 -1.86 -0.05 1.52 0.70 0.00 0.00 175.22 175.38 1x5e s TYR 30 N 4.61 2.46 -0.03 0.36 -0.85 -1.22 -2.78 117.35 119.89 1x5e s TYR 30 Ca 0.58 -0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 56.62 1x5e s TYR 30 Cb -0.17 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 40.74 1x5e s TYR 30 CO 0.25 0.54 0.07 0.00 -1.52 0.00 0.00 175.55 174.89 1x5e s ALA 31 N -2.59 -0.14 0.15 9.51 0.00 -1.26 -3.68 121.76 123.74 1x5e s ALA 31 Ca 0.33 0.29 0.32 0.00 0.00 0.00 0.00 51.96 52.91 1x5e s ALA 31 Cb 0.02 -0.19 1.35 0.00 0.00 0.00 0.00 23.12 24.30 1x5e s ALA 31 CO 0.18 -0.07 1.98 -1.00 0.00 0.00 0.00 175.76 176.85 1x5e h PRO 32 N 6.48 0.00 0.00 0.00 0.13 -1.99 -2.80 132.00 133.82 1x5e h PRO 32 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1x5e h PRO 32 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x5e h PRO 32 CO 0.46 0.04 -1.59 -2.67 -0.23 0.00 0.00 178.00 174.02 1x5e n TRP 33 N -3.16 0.24 -2.92 1.56 4.27 -1.26 -4.90 117.44 111.27 1x5e n TRP 33 Ca 0.00 0.07 -0.41 0.00 -3.89 0.00 0.00 57.50 53.27 1x5e n TRP 33 Cb 0.31 -0.55 -0.04 0.00 -1.36 0.00 0.00 31.31 29.67 1x5e n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h PRO 35 N 7.09 -0.09 -0.86 0.00 0.13 -1.90 -3.18 132.00 133.19 1x5e h PRO 35 Ca -0.34 0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.98 1x5e h PRO 35 Cb 1.16 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1x5e h PRO 35 CO 0.80 0.37 0.37 0.00 -0.23 0.00 0.00 178.00 179.31 1x5e h ALA 36 N 0.29 1.32 -0.57 -0.56 0.00 -1.93 0.28 119.26 118.09 1x5e h ALA 36 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1x5e h ALA 36 Cb 0.50 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1x5e h ALA 36 CO 0.01 -0.28 0.38 0.00 0.00 0.00 0.00 179.25 179.37 1x5e h GLN 38 N 0.71 0.82 -0.01 0.00 1.08 -0.41 0.63 115.11 117.93 1x5e h GLN 38 Ca 0.22 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1x5e h GLN 38 Cb 0.01 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1x5e h GLN 38 CO -0.06 0.54 -0.33 -0.91 -0.95 0.00 0.00 178.83 177.13 1x5e h ASN 39 N 0.84 0.02 0.61 1.46 2.35 -1.22 -2.87 115.58 116.77 1x5e h ASN 39 Ca 0.33 -0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.79 1x5e h ASN 39 Cb 0.21 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1x5e h ASN 39 CO -0.11 0.35 -1.35 0.25 -1.65 0.00 0.00 177.43 174.91 1x5e h LEU 40 N 0.02 0.31 -0.71 1.61 5.85 -1.06 -3.32 115.31 118.00 1x5e h LEU 40 Ca -0.00 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1x5e h LEU 40 Cb 0.59 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1x5e h LEU 40 CO 0.04 1.31 -0.34 0.00 -0.34 0.00 0.00 178.44 179.12 1x5e n GLN 41 N -3.44 -0.23 -0.06 1.25 1.13 0.05 -0.16 117.38 115.93 1x5e n GLN 41 Ca -0.11 1.09 -0.13 0.00 -1.94 0.00 0.00 57.00 55.91 1x5e n GLN 41 Cb 1.02 -1.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.69 1x5e n GLN 41 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1x5e h PRO 42 N 0.00 0.37 -0.98 -1.09 0.13 -1.72 -3.06 132.00 125.66 1x5e h PRO 42 Ca 0.19 -0.20 0.22 0.00 -0.87 0.00 0.00 66.00 65.35 1x5e h PRO 42 Cb 0.37 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.42 1x5e h PRO 42 CO -0.69 0.75 0.63 0.93 -0.23 0.00 0.00 178.00 179.39 1x5e h GLU 43 N 0.00 0.45 0.30 0.86 4.39 -0.65 -1.20 114.58 118.73 1x5e h GLU 43 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1x5e h GLU 43 Cb 0.68 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1x5e h GLU 43 CO 0.04 0.30 -0.15 2.35 -1.16 0.00 0.00 179.01 180.39 1x5e h TRP 44 N 0.47 -0.38 -0.61 4.33 -0.00 -0.60 -2.23 115.95 116.93 1x5e h TRP 44 Ca 0.54 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.54 1x5e h TRP 44 Cb 1.25 0.12 -0.10 0.00 -0.00 0.00 0.00 29.16 30.44 1x5e h TRP 44 CO -0.00 -0.03 0.04 0.93 -0.00 0.00 0.00 178.44 179.38 1x5e h GLU 45 N -0.82 0.15 0.00 2.65 5.08 -1.22 0.48 114.58 120.90 1x5e h GLU 45 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1x5e h GLU 45 Cb 0.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x5e h GLU 45 CO 0.07 0.10 -0.10 0.77 -1.00 0.00 0.00 179.01 178.85 1x5e h SER 46 N 0.16 0.00 0.00 1.42 0.02 -1.29 -3.05 113.55 110.81 1x5e h SER 46 Ca 0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1x5e h SER 46 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1x5e h SER 46 CO -0.49 0.10 -0.01 0.15 -1.14 0.00 0.00 176.83 175.44 1x5e h PHE 47 N 0.00 0.00 -0.21 3.45 3.57 0.45 -3.30 116.94 120.90 1x5e h PHE 47 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1x5e h PHE 47 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1x5e h PHE 47 CO 0.00 0.24 0.71 0.00 -2.23 0.00 0.00 178.31 177.03 1x5e h ALA 48 N -0.77 1.92 0.50 2.41 0.00 -0.67 0.20 119.26 122.85 1x5e h ALA 48 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x5e h ALA 48 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1x5e h ALA 48 CO -0.00 -0.82 -0.50 0.93 0.00 0.00 0.00 179.25 178.86 1x5e h GLU 49 N 0.00 -0.97 0.00 0.00 4.39 -1.61 -3.11 114.58 113.29 1x5e h GLU 49 Ca 0.10 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1x5e h GLU 49 Cb 1.53 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1x5e h GLU 49 CO -0.00 -0.64 -0.96 0.11 -1.16 0.00 0.00 179.01 176.35 1x5e h TRP 50 N -1.00 0.00 0.00 4.33 5.08 -1.41 -3.41 115.95 119.54 1x5e h TRP 50 Ca -0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.91 1x5e h TRP 50 Cb 0.87 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.03 1x5e h TRP 50 CO -0.25 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.32 1x5e n GLY 51 N 1.19 -2.76 0.43 11.11 0.00 -0.07 0.74 105.19 115.84 1x5e n GLY 51 Ca 0.00 0.55 0.27 0.00 0.00 0.00 0.00 46.02 46.84 1x5e n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5e h GLU 52 N 0.00 0.28 -0.99 1.61 4.11 -1.47 0.36 114.58 118.48 1x5e h GLU 52 Ca 0.00 -0.02 0.13 0.00 0.07 0.00 0.00 59.36 59.54 1x5e h GLU 52 Cb 0.00 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.10 1x5e h GLU 52 CO 0.00 0.18 0.62 0.22 0.07 0.00 0.00 179.01 180.10 1x5e h ASP 53 N 0.28 0.89 -0.20 3.06 1.82 0.08 0.31 116.42 122.67 1x5e h ASP 53 Ca 0.64 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1x5e h ASP 53 Cb 1.81 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.70 1x5e h ASP 53 CO -0.29 0.45 0.00 0.18 -1.61 0.00 0.00 179.24 177.97 1x5e n LEU 54 N -4.65 2.49 -2.96 2.28 4.77 0.13 -4.87 117.00 114.18 1x5e n LEU 54 Ca 0.19 -1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 54.78 1x5e n LEU 54 Cb 0.39 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1x5e n LEU 54 CO 0.26 0.37 0.06 1.21 -1.33 0.00 0.00 177.39 177.96 1x5e n GLU 55 N 0.21 -3.67 -3.73 3.23 4.07 0.11 -4.93 120.64 115.94 1x5e n GLU 55 Ca 0.09 0.70 -0.12 0.00 -0.06 0.00 0.00 57.16 57.78 1x5e n GLU 55 Cb 0.54 -5.16 -0.12 0.00 -0.06 0.00 0.00 31.44 26.65 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x5e s VAL 56 N -3.31 -0.02 0.23 6.31 0.11 -1.18 -4.87 120.40 117.67 1x5e s VAL 56 Ca 0.19 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 1x5e s VAL 56 Cb -0.02 -0.49 -0.08 0.00 -1.53 0.00 0.00 36.38 34.26 1x5e s VAL 56 CO 0.60 0.03 0.62 0.20 -3.33 0.00 0.00 175.10 173.23 1x5e s ASN 57 N 0.94 6.77 -0.11 3.54 0.01 -1.21 -1.81 114.94 123.06 1x5e s ASN 57 Ca -0.06 1.12 -0.00 0.00 -0.71 0.00 0.00 52.86 53.21 1x5e s ASN 57 Cb -0.07 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.31 1x5e s ASN 57 CO -0.07 -0.05 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.76 1x5e s ILE 58 N -1.74 1.04 0.39 0.60 1.09 -1.26 -0.00 121.20 121.32 1x5e s ILE 58 Ca 0.46 -0.30 0.04 0.00 -1.10 0.00 0.00 60.65 59.75 1x5e s ILE 58 Cb -0.13 -1.05 -0.04 0.00 -1.06 0.00 0.00 42.46 40.18 1x5e s ILE 58 CO 0.20 0.37 0.07 0.00 -0.10 0.00 0.00 174.94 175.47 1x5e s ALA 59 N 1.65 2.91 0.01 9.38 0.00 0.79 -0.09 121.76 136.41 1x5e s ALA 59 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1x5e s ALA 59 Cb -0.13 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1x5e s ALA 59 CO -0.08 -0.25 -0.03 -1.59 0.00 0.00 0.00 175.76 173.82 1x5e s LYS 60 N -3.81 0.24 -0.08 0.00 -2.85 0.96 -3.53 119.74 110.66 1x5e s LYS 60 Ca 0.27 -0.40 0.05 0.00 -1.00 0.00 0.00 55.97 54.89 1x5e s LYS 60 Cb 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 37.83 35.83 1x5e s LYS 60 CO 0.13 -0.01 -0.22 0.08 0.10 0.00 0.00 175.35 175.43 1x5e s VAL 61 N -0.90 1.89 -0.32 1.79 1.01 -1.24 -3.41 120.40 119.22 1x5e s VAL 61 Ca -0.09 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1x5e s VAL 61 Cb -0.06 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1x5e s VAL 61 CO -0.00 0.52 0.51 -1.81 0.00 0.00 0.00 175.10 174.32 1x5e s ASP 62 N 0.18 6.36 -0.01 3.32 1.11 -1.26 -3.43 116.67 122.93 1x5e s ASP 62 Ca -0.12 0.18 0.01 0.00 0.18 0.00 0.00 52.55 52.80 1x5e s ASP 62 Cb -0.16 -2.27 0.06 0.00 1.07 0.00 0.00 42.92 41.63 1x5e s ASP 62 CO 0.06 -0.40 0.71 1.33 1.18 0.00 0.00 175.17 178.04 1x5e n VAL 63 N 5.33 0.19 0.00 -1.27 0.24 -1.24 -1.45 118.33 120.13 1x5e n VAL 63 Ca -0.05 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1x5e n VAL 63 Cb 0.49 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1x5e n VAL 63 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x5e n THR 64 N -0.04 0.00 -0.05 3.34 -2.24 -1.26 -4.79 114.28 109.25 1x5e n THR 64 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1x5e n THR 64 Cb 0.26 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 1x5e n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5e n GLU 65 N -1.61 1.82 -3.66 -0.78 -0.58 -1.19 -4.80 120.64 109.85 1x5e n GLU 65 Ca 0.00 -0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.35 1x5e n GLU 65 Cb 0.25 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 29.75 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1x5e s GLN 66 N -2.38 3.09 0.38 3.49 -1.52 -0.53 -4.89 119.66 117.31 1x5e s GLN 66 Ca -0.06 -3.07 0.17 0.00 -1.95 0.00 0.00 55.36 50.46 1x5e s GLN 66 Cb 0.04 -3.90 0.76 0.00 -0.22 0.00 0.00 33.01 29.69 1x5e s GLN 66 CO 0.48 -1.24 1.80 -1.00 -0.25 0.00 0.00 175.29 175.08 1x5e h PRO 67 N 6.30 0.00 0.44 2.91 0.13 -1.87 -3.12 132.00 136.80 1x5e h PRO 67 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1x5e h PRO 67 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1x5e h PRO 67 CO 0.81 0.37 -0.21 0.78 -0.23 0.00 0.00 178.00 179.52 1x5e h GLY 68 N 1.57 -0.62 0.04 1.56 0.00 -1.96 -2.92 103.07 100.75 1x5e h GLY 68 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1x5e h GLY 68 CO 0.05 -0.23 -0.49 1.41 0.00 0.00 0.00 176.54 177.28 1x5e h LEU 69 N -1.07 -1.51 -1.29 3.11 3.38 -1.95 0.16 115.31 116.13 1x5e h LEU 69 Ca -0.06 0.16 0.35 0.00 0.09 0.00 0.00 57.88 58.42 1x5e h LEU 69 Cb 0.54 0.57 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1x5e h LEU 69 CO 0.10 -0.49 0.72 -1.28 0.09 0.00 0.00 178.44 177.57 1x5e h SER 70 N -0.65 0.38 1.06 -0.43 0.87 -1.67 0.95 113.55 114.05 1x5e h SER 70 Ca 0.00 0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.54 1x5e h SER 70 Cb 0.68 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1x5e h SER 70 CO -0.31 -0.08 -0.73 1.23 -0.53 0.00 0.00 176.83 176.42 1x5e h GLY 71 N 0.25 0.00 -1.76 5.77 0.00 -0.88 -3.13 103.07 103.33 1x5e h GLY 71 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1x5e h GLY 71 CO -0.42 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.66 1x5e n ARG 72 N -3.41 2.32 0.00 4.80 1.74 0.32 -3.40 116.66 119.04 1x5e n ARG 72 Ca 0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 1x5e n ARG 72 Cb 0.78 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x5e n PHE 73 N 0.29 0.00 -3.83 -1.55 3.01 -0.83 -4.78 117.46 109.77 1x5e n PHE 73 Ca 0.11 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.28 1x5e n PHE 73 Cb 0.52 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 1x5e n PHE 73 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1x5e n ILE 74 N -0.07 -4.35 -2.51 4.37 -0.00 -1.22 -4.88 119.36 110.70 1x5e n ILE 74 Ca 0.00 -0.71 -0.43 0.00 -0.00 0.00 0.00 62.75 61.61 1x5e n ILE 74 Cb 0.11 -3.43 -0.02 0.00 -0.00 0.00 0.00 39.64 36.30 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1x5e s ILE 75 N -3.71 4.42 -0.25 1.39 -1.09 -1.23 -4.92 121.20 115.82 1x5e s ILE 75 Ca 0.24 1.72 -0.15 0.00 -2.23 0.00 0.00 60.65 60.22 1x5e s ILE 75 Cb -0.09 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.56 1x5e s ILE 75 CO 0.88 -0.11 -0.28 0.59 -1.23 0.00 0.00 174.94 174.79 1x5e n ASN 76 N 6.16 1.94 -4.47 3.58 3.02 -1.26 -5.04 115.26 119.18 1x5e n ASN 76 Ca 0.12 0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 54.81 1x5e n ASN 76 Cb 0.46 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5e s ALA 77 N -2.56 2.49 0.03 5.41 0.00 -1.26 -5.17 121.76 120.70 1x5e s ALA 77 Ca -0.35 -2.05 -0.06 0.00 0.00 0.00 0.00 51.96 49.49 1x5e s ALA 77 Cb 0.12 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1x5e s ALA 77 CO 0.49 -0.20 0.11 -0.51 0.00 0.00 0.00 175.76 175.64 1x5e s LEU 78 N -3.51 1.73 1.02 0.00 1.43 -1.26 -4.31 118.68 113.78 1x5e s LEU 78 Ca 0.34 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1x5e s LEU 78 Cb 0.07 0.62 0.20 0.00 0.03 0.00 0.00 46.19 47.11 1x5e s LEU 78 CO 0.15 -0.46 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 1x5e s PRO 79 N -2.19 0.27 -0.26 1.29 0.04 -1.26 -4.68 135.00 128.21 1x5e s PRO 79 Ca -0.08 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.41 1x5e s PRO 79 Cb -0.04 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.93 1x5e s PRO 79 CO -0.03 -2.83 0.46 0.99 0.04 0.00 0.00 177.00 175.63 1x5e s THR 80 N -2.96 -0.74 0.04 1.26 2.01 -1.12 -4.99 115.64 109.14 1x5e s THR 80 Ca 0.66 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 1x5e s THR 80 Cb -0.19 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1x5e s THR 80 CO 0.58 -0.08 0.46 -0.63 -0.69 0.00 0.00 174.62 174.26 1x5e s ILE 81 N 2.66 4.94 -0.05 1.82 1.01 -1.26 -1.34 121.20 128.97 1x5e s ILE 81 Ca 0.15 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1x5e s ILE 81 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1x5e s ILE 81 CO -0.18 0.52 -0.11 -0.31 0.00 0.00 0.00 174.94 174.87 1x5e s TYR 82 N -1.15 1.26 -0.35 3.97 2.02 0.49 -1.49 117.35 122.10 1x5e s TYR 82 Ca 0.27 -0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 1x5e s TYR 82 Cb -0.17 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1x5e s TYR 82 CO 0.16 -0.22 0.38 -1.58 -1.57 0.00 0.00 175.55 172.71 1x5e s HIS 83 N 0.60 3.20 -0.44 2.71 5.65 -0.57 -1.50 115.29 124.94 1x5e s HIS 83 Ca -0.12 -0.03 -0.09 0.00 0.25 0.00 0.00 55.06 55.07 1x5e s HIS 83 Cb -0.14 -2.71 0.10 0.00 -1.18 0.00 0.00 32.58 28.64 1x5e s HIS 83 CO 0.03 -0.46 0.29 0.00 -0.65 0.00 0.00 174.74 173.94 1x5e s LYS 85 N 1.38 1.84 -1.64 0.00 2.20 -0.65 -0.03 119.74 122.84 1x5e s LYS 85 Ca 0.04 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1x5e s LYS 85 Cb -0.24 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1x5e s LYS 85 CO 0.01 -0.24 0.15 -3.47 -0.36 0.00 0.00 175.35 171.44 1x5e n ASP 86 N 4.81 -5.69 -0.14 1.43 -0.08 -1.19 -1.11 116.55 114.58 1x5e n ASP 86 Ca -0.15 -0.06 -0.02 0.00 -1.51 0.00 0.00 54.79 53.05 1x5e n ASP 86 Cb 0.50 -4.71 -0.00 0.00 2.34 0.00 0.00 41.12 39.24 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5e n GLY 87 N -1.11 0.43 3.14 0.27 0.00 0.17 -4.91 105.19 103.17 1x5e n GLY 87 Ca -0.20 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1x5e n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5e s GLU 88 N -2.84 2.85 0.18 1.61 2.02 -0.27 -5.01 118.70 117.24 1x5e s GLU 88 Ca 0.00 -0.94 -0.13 0.00 0.02 0.00 0.00 54.97 53.92 1x5e s GLU 88 Cb 0.00 -2.73 -0.07 0.00 0.10 0.00 0.00 34.13 31.43 1x5e s GLU 88 CO 0.00 -0.31 0.56 -0.06 0.02 0.00 0.00 175.26 175.47 1x5e s PHE 89 N 1.27 3.55 -0.12 1.61 0.40 -1.25 -1.63 117.98 121.81 1x5e s PHE 89 Ca 0.02 1.02 -0.06 0.00 -0.60 0.00 0.00 56.93 57.31 1x5e s PHE 89 Cb -0.15 -2.35 0.05 0.00 0.51 0.00 0.00 43.02 41.08 1x5e s PHE 89 CO -0.09 0.37 0.26 1.03 0.70 0.00 0.00 175.22 177.49 1x5e s ARG 90 N -2.24 0.21 -0.21 0.44 0.52 -0.76 -2.35 118.95 114.57 1x5e s ARG 90 Ca 0.41 0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 55.92 1x5e s ARG 90 Cb -0.14 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.22 1x5e s ARG 90 CO 0.20 -0.18 1.43 0.50 0.02 0.00 0.00 175.30 177.26 1x5e s ARG 91 N 1.47 3.99 -0.26 3.54 3.52 -1.26 -1.51 118.95 128.44 1x5e s ARG 91 Ca -0.08 1.60 -0.28 0.00 -0.13 0.00 0.00 55.73 56.84 1x5e s ARG 91 Cb -0.10 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 1x5e s ARG 91 CO -0.09 -1.03 1.89 -0.47 -0.81 0.00 0.00 175.30 174.79 1x5e s TYR 92 N 4.35 1.65 -0.94 5.12 6.14 -0.55 -4.92 117.35 128.19 1x5e s TYR 92 Ca 0.63 0.53 -0.03 0.00 0.64 0.00 0.00 57.07 58.84 1x5e s TYR 92 Cb -0.23 -4.06 0.24 0.00 0.42 0.00 0.00 41.96 38.33 1x5e s TYR 92 CO 0.23 -3.39 0.87 1.04 0.64 0.00 0.00 175.55 174.95 1x5e n GLN 93 N 8.36 2.87 -3.71 4.97 6.02 -1.26 -4.74 117.38 129.89 1x5e n GLN 93 Ca 0.24 -4.48 -0.09 0.00 -0.01 0.00 0.00 57.00 52.66 1x5e n GLN 93 Cb 0.46 -2.44 0.03 0.00 1.02 0.00 0.00 30.24 29.31 1x5e n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x5e n GLY 94 N 2.30 1.01 0.00 1.08 0.00 -1.26 -5.01 105.19 103.31 1x5e n GLY 94 Ca 0.23 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 45.06 1x5e n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 95 N -0.52 0.49 -4.06 1.61 -0.04 -1.26 -4.86 135.00 126.36 1x5e n PRO 95 Ca -0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 1x5e n PRO 95 Cb 0.58 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1x5e n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5e n ARG 96 N -0.93 -2.33 -4.25 0.54 1.85 -1.26 -4.95 116.66 105.33 1x5e n ARG 96 Ca 0.10 0.29 -0.30 0.00 -1.00 0.00 0.00 57.85 56.94 1x5e n ARG 96 Cb 0.05 -4.13 -0.09 0.00 -1.05 0.00 0.00 32.46 27.23 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5e s THR 97 N -4.05 3.59 0.14 8.89 -4.23 -1.26 -4.96 115.64 113.75 1x5e s THR 97 Ca 0.04 -1.11 -0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1x5e s THR 97 Cb -0.02 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 1x5e s THR 97 CO 0.93 0.17 1.34 1.17 -0.54 0.00 0.00 174.62 177.68 1x5e n LYS 98 N 0.82 -0.37 0.14 3.99 4.81 -1.26 -1.05 118.16 125.24 1x5e n LYS 98 Ca -0.13 1.32 -0.12 0.00 -0.87 0.00 0.00 58.31 58.50 1x5e n LYS 98 Cb 0.52 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.57 1x5e n LYS 98 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1x5e h LYS 99 N 0.00 -0.59 -0.88 1.64 3.64 -1.96 -2.83 116.57 115.59 1x5e h LYS 99 Ca 0.14 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1x5e h LYS 99 Cb 0.35 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.19 1x5e h LYS 99 CO -0.80 -0.39 -0.46 -3.47 -2.27 0.00 0.00 179.45 172.05 1x5e n ASP 100 N -4.53 -0.81 -0.19 4.20 2.03 -0.43 -1.06 116.55 115.76 1x5e n ASP 100 Ca -0.07 1.55 -0.05 0.00 0.52 0.00 0.00 54.79 56.74 1x5e n ASP 100 Cb 0.30 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x5e n PHE 101 N -5.16 -0.20 0.00 -0.67 3.72 -0.21 -1.63 117.46 113.31 1x5e n PHE 101 Ca 0.04 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.02 1x5e n PHE 101 Cb 0.27 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 1x5e n PHE 101 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1x5e n ILE 102 N -4.04 0.00 -0.26 4.37 -0.00 -0.22 0.03 119.36 119.23 1x5e n ILE 102 Ca 0.01 0.92 -0.03 0.00 -0.00 0.00 0.00 62.75 63.64 1x5e n ILE 102 Cb 0.12 -1.24 0.02 0.00 -0.00 0.00 0.00 39.64 38.54 1x5e n ILE 102 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1x5e h ASN 103 N 0.00 -1.21 -1.22 4.38 2.35 -1.39 0.88 115.58 119.37 1x5e h ASN 103 Ca 0.00 0.25 0.35 0.00 -0.55 0.00 0.00 56.30 56.35 1x5e h ASN 103 Cb 0.00 0.62 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 1x5e h ASN 103 CO 0.00 -0.30 0.85 0.15 -1.65 0.00 0.00 177.43 176.48 1x5e h PHE 104 N -0.10 0.25 0.00 1.19 3.57 0.57 0.83 116.94 123.24 1x5e h PHE 104 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1x5e h PHE 104 Cb 0.57 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1x5e h PHE 104 CO -0.70 -0.01 -0.37 0.82 -2.23 0.00 0.00 178.31 175.82 1x5e h ILE 105 N 0.12 0.00 0.06 1.41 1.08 0.20 -2.45 117.51 117.93 1x5e h ILE 105 Ca 0.63 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1x5e h ILE 105 Cb 2.21 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 1x5e h ILE 105 CO -0.14 0.00 -0.32 0.28 -0.69 0.00 0.00 178.15 177.29 1x5e h SER 106 N -0.76 -0.93 1.07 1.72 0.02 0.09 -1.13 113.55 113.63 1x5e h SER 106 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1x5e h SER 106 Cb 0.37 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x5e h SER 106 CO 0.00 -0.39 -0.06 0.44 -1.14 0.00 0.00 176.83 175.67 1x5e h ASP 107 N -0.50 0.00 -5.02 3.07 3.32 0.49 -3.47 116.42 114.31 1x5e h ASP 107 Ca 0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 1x5e h ASP 107 Cb 0.56 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.23 1x5e h ASP 107 CO -0.22 0.06 -0.58 0.29 -1.72 0.00 0.00 179.24 177.07 1x5e n LYS 108 N -3.18 -6.41 -0.12 3.56 5.02 -0.43 -4.88 118.16 111.72 1x5e n LYS 108 Ca 0.01 0.69 0.17 0.00 -2.02 0.00 0.00 58.31 57.16 1x5e n LYS 108 Cb 0.36 -5.30 0.56 0.00 -0.02 0.00 0.00 35.03 30.62 1x5e n LYS 108 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5e h GLU 109 N -2.12 0.29 -0.99 1.97 5.08 -1.61 -2.04 114.58 115.15 1x5e h GLU 109 Ca -0.47 -0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.26 1x5e h GLU 109 Cb 1.30 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1x5e h GLU 109 CO 0.45 0.19 0.57 -2.67 -1.00 0.00 0.00 179.01 176.55 1x5e n TRP 110 N -4.45 0.93 -0.15 4.33 4.27 -1.25 0.14 117.44 121.26 1x5e n TRP 110 Ca 0.13 0.94 -0.03 0.00 -3.89 0.00 0.00 57.50 54.65 1x5e n TRP 110 Cb 0.56 -1.36 0.06 0.00 -1.36 0.00 0.00 31.31 29.21 1x5e n TRP 110 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1x5e h LYS 111 N 0.00 0.26 -0.48 -2.67 1.57 -1.73 0.09 116.57 113.62 1x5e h LYS 111 Ca 0.77 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.67 1x5e h LYS 111 Cb 2.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 1x5e h LYS 111 CO -0.62 0.18 0.35 1.03 -0.57 0.00 0.00 179.45 179.82 1x5e h SER 112 N 0.27 0.00 -3.47 0.86 0.87 0.11 -3.40 113.55 108.78 1x5e h SER 112 Ca 0.24 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.26 1x5e h SER 112 Cb 0.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1x5e h SER 112 CO -0.29 0.00 0.21 -0.63 -0.53 0.00 0.00 176.83 175.59 1x5e s ILE 113 N -5.01 4.64 -0.11 2.23 1.01 0.02 -5.01 121.20 118.96 1x5e s ILE 113 Ca -0.05 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 1x5e s ILE 113 Cb 0.19 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1x5e s ILE 113 CO 0.72 0.36 1.32 -1.61 0.00 0.00 0.00 174.94 175.73 1x5e s GLU 114 N -0.13 4.26 0.89 2.79 2.02 -1.26 -4.96 118.70 122.31 1x5e s GLU 114 Ca 0.40 1.77 -0.12 0.00 0.02 0.00 0.00 54.97 57.05 1x5e s GLU 114 Cb -0.21 -3.72 0.13 0.00 0.10 0.00 0.00 34.13 30.42 1x5e s GLU 114 CO 0.25 -0.65 1.09 -1.25 0.02 0.00 0.00 175.26 174.72 1x5e s PRO 115 N 3.15 1.27 0.06 0.39 0.04 -1.26 -4.77 135.00 133.88 1x5e s PRO 115 Ca 0.58 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1x5e s PRO 115 Cb -0.25 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1x5e s PRO 115 CO 0.20 -2.24 0.29 0.14 0.04 0.00 0.00 177.00 175.42 1x5e s VAL 116 N -2.93 5.28 -0.32 -0.36 -7.23 -0.99 -5.02 120.40 108.83 1x5e s VAL 116 Ca 0.63 -0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.87 1x5e s VAL 116 Cb -0.18 -3.60 0.46 0.00 0.56 0.00 0.00 36.38 33.62 1x5e s VAL 116 CO 0.57 0.21 1.16 -1.54 -0.31 0.00 0.00 175.10 175.18 1x5e n SER 117 N 0.59 4.49 -2.62 4.85 3.41 -1.26 -4.61 113.62 118.47 1x5e n SER 117 Ca -0.07 -3.56 -0.10 0.00 -0.26 0.00 0.00 58.87 54.88 1x5e n SER 117 Cb 0.52 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1x5e n SER 117 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5e n SER 118 N -0.63 2.40 -4.52 4.04 3.41 -1.26 -5.02 113.62 112.04 1x5e n SER 118 Ca 0.39 -2.70 -0.42 0.00 -0.26 0.00 0.00 58.87 55.88 1x5e n SER 118 Cb 0.88 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1x5e s TRP 119 N -3.53 2.78 -0.58 7.33 -0.11 -1.26 -4.96 118.94 118.61 1x5e s TRP 119 Ca 0.33 -1.13 -0.20 0.00 1.22 0.00 0.00 56.10 56.32 1x5e s TRP 119 Cb 0.39 -4.55 0.08 0.00 -1.50 0.00 0.00 33.47 27.88 1x5e s TRP 119 CO -0.02 -1.76 0.75 0.12 -4.62 0.00 0.00 176.95 171.42 1x5e s PHE 120 N 4.05 2.93 0.11 5.86 2.19 -1.26 -5.00 117.98 126.86 1x5e s PHE 120 Ca 0.42 -0.67 -0.18 0.00 0.33 0.00 0.00 56.93 56.84 1x5e s PHE 120 Cb -0.01 -3.93 0.04 0.00 -1.31 0.00 0.00 43.02 37.81 1x5e s PHE 120 CO -0.08 -1.29 0.43 -1.12 1.83 0.00 0.00 175.22 174.99 1x5e s SER 121 N 3.29 -0.29 -0.72 6.13 0.01 -1.26 -4.90 113.70 115.95 1x5e s SER 121 Ca 0.16 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.00 1x5e s SER 121 Cb -0.20 0.48 -0.16 0.00 0.21 0.00 0.00 66.02 66.35 1x5e s SER 121 CO 0.10 -0.82 1.97 0.61 0.41 0.00 0.00 173.24 175.51 1x5e n GLY 122 N -0.07 -0.35 3.69 3.44 0.00 -1.26 -4.85 105.19 105.79 1x5e n GLY 122 Ca -0.17 0.85 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 1x5e n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5e s PRO 123 N 6.54 0.74 -1.00 1.61 0.04 -1.26 -4.96 135.00 136.70 1x5e s PRO 123 Ca 1.00 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 1x5e s PRO 123 Cb -0.93 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.00 1x5e s PRO 123 CO 0.36 -2.55 1.17 -1.12 0.04 0.00 0.00 177.00 174.90 1x5e s SER 124 N -3.44 6.81 0.06 6.66 0.01 -1.26 -4.88 113.70 117.65 1x5e s SER 124 Ca 0.65 -2.47 -0.35 0.00 1.31 0.00 0.00 55.95 55.08 1x5e s SER 124 Cb -0.18 -2.37 -0.19 0.00 0.21 0.00 0.00 66.02 63.49 1x5e s SER 124 CO 0.57 -0.87 1.53 0.28 0.41 0.00 0.00 173.24 175.16 1x5e h SER 125 N 8.13 -1.13 0.00 2.44 0.02 -2.01 -3.57 113.55 117.43 1x5e h SER 125 Ca 0.20 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1x5e h SER 125 Cb 0.98 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1x5e h SER 125 CO 1.10 -0.76 0.00 0.61 -1.14 0.00 0.00 176.83 176.64