#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8e s PHE 3 N 0.00 0.28 -0.02 0.66 -0.12 -1.26 -4.28 117.98 113.24 3k8e s PHE 3 Ca 0.00 -0.64 0.05 0.00 -0.05 0.00 0.00 56.93 56.29 3k8e s PHE 3 Cb 0.00 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 3k8e s PHE 3 CO 0.00 -0.75 -0.18 0.08 -0.05 0.00 0.00 175.22 174.32 3k8e s VAL 4 N -3.94 1.43 -0.16 -2.49 1.01 -0.41 -0.16 120.40 115.68 3k8e s VAL 4 Ca 0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3k8e s VAL 4 Cb 0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3k8e s VAL 4 CO -0.01 0.41 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 3k8e s VAL 5 N -0.36 3.88 -0.15 2.92 1.01 0.10 -1.09 120.40 126.72 3k8e s VAL 5 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3k8e s VAL 5 Cb -0.08 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3k8e s VAL 5 CO -0.00 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.80 3k8e s ILE 6 N 0.49 2.76 -0.35 2.22 1.01 -0.60 -0.84 121.20 125.88 3k8e s ILE 6 Ca -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3k8e s ILE 6 Cb -0.14 -2.16 0.07 0.00 0.01 0.00 0.00 42.46 40.23 3k8e s ILE 6 CO 0.03 0.52 0.11 -0.63 0.00 0.00 0.00 174.94 174.96 3k8e s ILE 7 N 0.68 3.38 -0.86 2.92 1.01 0.00 -2.56 121.20 125.78 3k8e s ILE 7 Ca -0.07 -1.52 -0.25 0.00 0.00 0.00 0.00 60.65 58.81 3k8e s ILE 7 Cb -0.16 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3k8e s ILE 7 CO 0.02 -0.33 1.33 -2.16 0.00 0.00 0.00 174.94 173.80 3k8e s PRO 8 N 1.27 3.37 -0.58 2.79 0.05 -1.26 -1.08 135.00 139.57 3k8e s PRO 8 Ca 0.00 -0.70 -0.27 0.00 0.05 0.00 0.00 61.00 60.09 3k8e s PRO 8 Cb -0.21 -4.71 -0.03 0.00 0.05 0.00 0.00 34.50 29.61 3k8e s PRO 8 CO -0.01 -2.14 1.93 0.00 0.05 0.00 0.00 177.00 176.83 3k8e s ALA 9 N 5.22 2.14 -0.14 8.56 0.00 -0.99 -4.29 121.76 132.26 3k8e s ALA 9 Ca 0.39 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 3k8e s ALA 9 Cb -0.05 -4.29 -0.01 0.00 0.00 0.00 0.00 23.12 18.77 3k8e s ALA 9 CO 0.03 -3.90 1.14 0.50 0.00 0.00 0.00 175.76 173.53 3k8e s ARG 10 N 7.12 4.31 -0.06 0.00 3.52 -1.26 -4.78 118.95 127.80 3k8e s ARG 10 Ca 0.72 1.53 -0.02 0.00 -0.13 0.00 0.00 55.73 57.83 3k8e s ARG 10 Cb -0.14 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 3k8e s ARG 10 CO 0.22 -0.54 -0.04 -0.92 -0.81 0.00 0.00 175.30 173.21 3k8e h TYR 11 N 7.60 0.00 -3.40 5.12 5.03 -1.93 -3.39 116.97 125.99 3k8e h TYR 11 Ca -0.27 0.00 -0.52 0.00 2.58 0.00 0.00 58.73 60.51 3k8e h TYR 11 Cb 1.12 0.00 0.05 0.00 1.55 0.00 0.00 36.73 39.44 3k8e h TYR 11 CO 0.75 0.00 0.72 0.00 -1.32 0.00 0.00 178.16 178.31 3k8e s ALA 12 N -2.81 3.59 -0.30 1.82 0.00 -1.26 -3.10 121.76 119.70 3k8e s ALA 12 Ca -0.03 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3k8e s ALA 12 Cb 0.00 -3.53 0.18 0.00 0.00 0.00 0.00 23.12 19.78 3k8e s ALA 12 CO 0.05 -0.66 0.94 0.45 0.00 0.00 0.00 175.76 176.54 3k8e s SER 13 N 0.31 -0.68 0.55 0.00 0.15 -1.19 -4.97 113.70 107.88 3k8e s SER 13 Ca 0.58 0.43 -0.22 0.00 0.70 0.00 0.00 55.95 57.44 3k8e s SER 13 Cb -0.40 1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 65.44 3k8e s SER 13 CO 0.42 -0.13 1.34 0.42 1.20 0.00 0.00 173.24 176.49 3k8e s THR 14 N 2.93 2.16 0.00 6.45 -4.23 -1.26 -1.30 115.64 120.39 3k8e s THR 14 Ca 0.04 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3k8e s THR 14 Cb -0.11 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3k8e s THR 14 CO -0.13 -0.00 0.00 -2.11 -0.54 0.00 0.00 174.62 171.83 3k8e n ARG 15 N -1.05 0.00 -2.92 3.99 1.85 -1.26 -4.74 116.66 112.52 3k8e n ARG 15 Ca 0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.82 3k8e n ARG 15 Cb 0.45 -0.29 0.03 0.00 -1.05 0.00 0.00 32.46 31.61 3k8e n ARG 15 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3k8e n LEU 16 N 0.00 -1.15 0.00 2.89 4.77 -1.07 -4.21 117.00 118.23 3k8e n LEU 16 Ca 0.00 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.80 3k8e n LEU 16 Cb 0.00 0.83 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3k8e n LEU 16 CO 0.00 2.14 0.08 -2.65 -1.33 0.00 0.00 177.39 175.63 3k8e n PRO 17 N 0.57 0.00 -2.49 3.23 -0.02 -0.42 -1.21 135.00 134.66 3k8e n PRO 17 Ca 0.14 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.39 3k8e n PRO 17 Cb 0.66 -0.25 0.02 0.00 -0.02 0.00 0.00 33.50 33.91 3k8e n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8e n GLY 18 N -0.89 5.94 0.31 -1.23 0.00 -1.26 -3.15 105.19 104.91 3k8e n GLY 18 Ca 0.00 -2.59 0.10 0.00 0.00 0.00 0.00 46.02 43.53 3k8e n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k8e h LYS 19 N 3.72 0.07 0.00 1.61 3.64 -1.09 -0.07 116.57 124.44 3k8e h LYS 19 Ca 0.49 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 3k8e h LYS 19 Cb 0.29 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3k8e h LYS 19 CO 1.19 0.04 -0.05 -1.35 -2.27 0.00 0.00 179.45 177.01 3k8e h PRO 20 N 0.07 0.00 -0.11 1.90 0.11 -1.83 -2.78 132.00 129.35 3k8e h PRO 20 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3k8e h PRO 20 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3k8e h PRO 20 CO -0.80 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 178.32 3k8e n LEU 21 N -3.91 3.03 -4.68 2.35 4.32 -0.05 -1.62 117.00 116.44 3k8e n LEU 21 Ca -0.03 -1.08 -0.45 0.00 -0.02 0.00 0.00 56.01 54.43 3k8e n LEU 21 Cb 0.14 -0.05 -0.04 0.00 -1.62 0.00 0.00 43.42 41.85 3k8e n LEU 21 CO 0.30 0.54 1.39 0.52 -1.22 0.00 0.00 177.39 178.92 3k8e n VAL 22 N 1.33 0.30 -2.19 4.08 0.31 -1.05 -4.69 118.33 116.42 3k8e n VAL 22 Ca 0.15 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 3k8e n VAL 22 Cb 0.59 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 3k8e n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k8e s ASP 23 N 2.50 6.84 -0.42 4.52 2.15 -1.26 -1.53 116.67 129.47 3k8e s ASP 23 Ca 0.84 2.24 0.02 0.00 0.43 0.00 0.00 52.55 56.08 3k8e s ASP 23 Cb -0.60 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 39.56 3k8e s ASP 23 CO 0.41 -0.68 0.18 -0.63 -0.17 0.00 0.00 175.17 174.29 3k8e s ILE 24 N 1.66 1.78 -1.26 4.11 1.01 -0.60 -4.90 121.20 122.99 3k8e s ILE 24 Ca 0.64 -2.51 -0.04 0.00 0.00 0.00 0.00 60.65 58.75 3k8e s ILE 24 Cb -0.34 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3k8e s ILE 24 CO 0.29 -0.78 1.08 0.59 0.00 0.00 0.00 174.94 176.12 3k8e n ASN 25 N 3.80 -3.88 0.00 3.58 3.02 -1.26 -3.39 115.26 117.13 3k8e n ASN 25 Ca 0.05 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3k8e n ASN 25 Cb 0.37 -5.08 0.00 0.00 -0.61 0.00 0.00 39.78 34.45 3k8e n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8e n GLY 26 N -1.50 0.69 3.08 7.41 0.00 -1.26 -5.04 105.19 108.56 3k8e n GLY 26 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3k8e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8e s LYS 27 N -0.78 0.24 0.64 1.61 1.02 -1.22 -5.15 119.74 116.10 3k8e s LYS 27 Ca 0.00 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.14 3k8e s LYS 27 Cb 0.00 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 3k8e s LYS 27 CO 0.00 -0.04 1.15 -1.25 -0.92 0.00 0.00 175.35 174.29 3k8e s PRO 28 N 0.24 2.81 0.30 -1.68 0.04 -1.26 -1.56 135.00 133.88 3k8e s PRO 28 Ca -0.01 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.66 3k8e s PRO 28 Cb -0.03 -1.93 0.73 0.00 0.04 0.00 0.00 34.50 33.32 3k8e s PRO 28 CO -0.01 -1.28 1.74 1.98 0.04 0.00 0.00 177.00 179.47 3k8e h MET 29 N 0.35 0.57 -0.25 4.56 1.85 -1.19 0.10 114.93 120.91 3k8e h MET 29 Ca -0.48 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.56 3k8e h MET 29 Cb 1.27 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 3k8e h MET 29 CO 0.54 0.38 0.08 0.97 -0.40 0.00 0.00 176.91 178.47 3k8e h ILE 30 N 0.58 1.12 -0.32 1.77 6.09 -1.54 -2.14 117.51 123.07 3k8e h ILE 30 Ca 0.57 -0.39 -0.17 0.00 -1.37 0.00 0.00 64.86 63.50 3k8e h ILE 30 Cb 0.98 0.84 -0.00 0.00 0.47 0.00 0.00 36.82 39.11 3k8e h ILE 30 CO -0.44 0.14 -0.46 0.58 -3.07 0.00 0.00 178.15 174.90 3k8e h VAL 31 N 0.36 1.28 -0.99 2.19 2.07 -1.26 -1.81 116.25 118.09 3k8e h VAL 31 Ca 0.09 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 66.05 3k8e h VAL 31 Cb 0.12 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3k8e h VAL 31 CO -0.01 0.54 0.64 0.45 0.02 0.00 0.00 177.57 179.21 3k8e h HIS 32 N 0.68 1.16 -0.32 1.57 3.86 -1.13 -1.83 115.15 119.15 3k8e h HIS 32 Ca 0.03 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.11 3k8e h HIS 32 Cb 1.06 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 3k8e h HIS 32 CO 0.07 0.57 -0.43 0.28 0.86 0.00 0.00 177.93 179.28 3k8e h VAL 33 N 1.11 1.28 -0.79 2.45 2.07 -1.14 -2.68 116.25 118.54 3k8e h VAL 33 Ca 0.44 -1.61 0.13 0.00 0.82 0.00 0.00 66.70 66.48 3k8e h VAL 33 Cb 0.25 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3k8e h VAL 33 CO -0.19 0.53 0.52 0.25 0.02 0.00 0.00 177.57 178.70 3k8e h LEU 34 N 0.65 0.52 -0.14 2.57 5.85 -0.92 -1.33 115.31 122.51 3k8e h LEU 34 Ca 0.04 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 3k8e h LEU 34 Cb 1.03 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.99 3k8e h LEU 34 CO 0.10 0.28 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.45 3k8e h GLU 35 N 0.56 0.72 -0.60 1.25 5.08 -1.04 -1.32 114.58 119.23 3k8e h GLU 35 Ca 0.39 -0.59 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3k8e h GLU 35 Cb 0.70 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 3k8e h GLU 35 CO -0.15 1.20 0.27 0.00 -1.00 0.00 0.00 179.01 179.33 3k8e h ARG 36 N 0.42 0.48 -0.36 2.33 2.47 -1.13 -2.42 114.38 116.16 3k8e h ARG 36 Ca -0.05 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.55 3k8e h ARG 36 Cb 1.34 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 3k8e h ARG 36 CO 0.15 0.32 -0.15 0.00 0.56 0.00 0.00 179.97 180.85 3k8e h ALA 37 N 1.37 1.08 -0.47 0.04 0.00 -1.08 -2.72 119.26 117.48 3k8e h ALA 37 Ca 0.29 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3k8e h ALA 37 Cb 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3k8e h ALA 37 CO -0.25 0.57 0.24 0.00 0.00 0.00 0.00 179.25 179.81 3k8e h ARG 38 N 0.58 0.47 0.00 0.00 3.08 -0.97 -2.64 114.38 114.90 3k8e h ARG 38 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3k8e h ARG 38 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3k8e h ARG 38 CO 0.04 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 179.64 3k8e n GLU 39 N -4.89 0.14 0.00 0.04 1.02 -0.94 -2.49 120.64 113.52 3k8e n GLU 39 Ca 0.03 0.55 0.14 0.00 -0.02 0.00 0.00 57.16 57.87 3k8e n GLU 39 Cb 0.11 -1.88 0.61 0.00 -0.02 0.00 0.00 31.44 30.27 3k8e n GLU 39 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k8e n SER 40 N -2.15 0.08 0.00 1.62 3.41 -0.99 -4.90 113.62 110.69 3k8e n SER 40 Ca -0.00 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3k8e n SER 40 Cb 0.09 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3k8e n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8e n GLY 41 N 1.44 0.49 3.72 5.00 0.00 -1.04 -4.77 105.19 110.04 3k8e n GLY 41 Ca 0.09 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3k8e n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8e n ALA 42 N 0.77 2.33 1.11 4.61 0.00 -1.25 -4.77 120.51 123.31 3k8e n ALA 42 Ca 0.00 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.97 3k8e n ALA 42 Cb 0.00 -2.45 0.64 0.00 0.00 0.00 0.00 19.45 17.65 3k8e n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k8e n GLU 43 N 2.93 0.16 -3.70 0.00 0.28 0.78 -4.74 120.64 116.35 3k8e n GLU 43 Ca 0.13 0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.02 3k8e n GLU 43 Cb 0.34 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.62 3k8e n GLU 43 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k8e s ARG 44 N -2.83 0.58 -0.23 3.44 0.52 -1.25 -5.03 118.95 114.14 3k8e s ARG 44 Ca 0.19 0.73 -0.00 0.00 -0.52 0.00 0.00 55.73 56.12 3k8e s ARG 44 Cb 0.19 0.26 0.07 0.00 0.52 0.00 0.00 34.95 35.98 3k8e s ARG 44 CO 0.48 -0.08 -0.00 0.42 0.02 0.00 0.00 175.30 176.13 3k8e s ILE 45 N 0.41 1.15 -0.16 1.52 1.09 -1.26 0.02 121.20 123.97 3k8e s ILE 45 Ca -0.01 -1.06 -0.01 0.00 -1.10 0.00 0.00 60.65 58.47 3k8e s ILE 45 Cb -0.04 -1.56 -0.01 0.00 -1.06 0.00 0.00 42.46 39.79 3k8e s ILE 45 CO -0.01 -0.22 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.88 3k8e s ILE 46 N 1.56 3.16 -0.08 2.92 1.01 -0.02 -3.71 121.20 126.04 3k8e s ILE 46 Ca -0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 3k8e s ILE 46 Cb -0.18 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3k8e s ILE 46 CO -0.09 0.50 0.52 -0.69 0.00 0.00 0.00 174.94 175.18 3k8e s VAL 47 N 0.69 5.09 -0.26 2.92 1.01 -0.84 -0.82 120.40 128.20 3k8e s VAL 47 Ca -0.05 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 3k8e s VAL 47 Cb -0.15 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3k8e s VAL 47 CO 0.02 0.36 0.09 0.00 0.00 0.00 0.00 175.10 175.57 3k8e s ALA 48 N 0.31 3.21 0.07 5.51 0.00 -0.24 -1.58 121.76 129.04 3k8e s ALA 48 Ca 0.28 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3k8e s ALA 48 Cb -0.16 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3k8e s ALA 48 CO 0.13 -0.55 0.33 -0.08 0.00 0.00 0.00 175.76 175.59 3k8e s THR 49 N 1.63 0.08 -1.08 0.00 -1.32 -1.12 -2.34 115.64 111.49 3k8e s THR 49 Ca 0.06 -0.69 0.13 0.00 -1.21 0.00 0.00 61.69 59.99 3k8e s THR 49 Cb -0.15 -1.04 0.39 0.00 -1.51 0.00 0.00 72.50 70.18 3k8e s THR 49 CO 0.05 -0.38 1.33 -0.90 -2.21 0.00 0.00 174.62 172.50 3k8e n ASP 50 N 0.31 3.21 -4.40 8.08 5.75 -1.26 -1.62 116.55 126.61 3k8e n ASP 50 Ca -0.18 -2.06 -0.33 0.00 -0.01 0.00 0.00 54.79 52.22 3k8e n ASP 50 Cb 0.61 -0.30 -0.14 0.00 -1.03 0.00 0.00 41.12 40.25 3k8e n ASP 50 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3k8e s HIS 51 N -1.11 2.68 0.14 2.11 3.76 -1.26 -4.95 115.29 116.66 3k8e s HIS 51 Ca 0.30 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.72 3k8e s HIS 51 Cb 0.16 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 3k8e s HIS 51 CO 0.19 -0.01 1.38 0.93 -0.85 0.00 0.00 174.74 176.37 3k8e h GLU 52 N 5.90 0.59 -0.82 1.40 4.39 -1.98 -1.48 114.58 122.58 3k8e h GLU 52 Ca -0.37 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 58.84 3k8e h GLU 52 Cb 1.17 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 3k8e h GLU 52 CO 0.51 1.10 0.48 0.38 -1.16 0.00 0.00 179.01 180.32 3k8e h ASP 53 N 0.40 1.01 -0.46 1.42 3.04 -1.99 0.77 116.42 120.60 3k8e h ASP 53 Ca -0.04 -0.08 -0.05 0.00 -3.24 0.00 0.00 57.03 53.62 3k8e h ASP 53 Cb 1.35 -0.25 -0.02 0.00 -1.04 0.00 0.00 39.33 39.37 3k8e h ASP 53 CO 0.14 0.79 0.09 0.58 -2.04 0.00 0.00 179.24 178.80 3k8e h VAL 54 N 1.13 1.24 -0.77 4.15 2.07 -1.97 -2.44 116.25 119.67 3k8e h VAL 54 Ca 0.29 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3k8e h VAL 54 Cb -0.01 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3k8e h VAL 54 CO -0.05 0.31 0.51 0.00 0.02 0.00 0.00 177.57 178.36 3k8e h ALA 55 N 0.96 0.98 -0.28 1.67 0.00 -0.81 -2.04 119.26 119.75 3k8e h ALA 55 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3k8e h ALA 55 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k8e h ALA 55 CO 0.01 0.37 -0.35 0.00 0.00 0.00 0.00 179.25 179.28 3k8e h ARG 56 N 1.03 0.61 -0.38 0.00 3.08 -0.78 -1.73 114.38 116.20 3k8e h ARG 56 Ca 0.29 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3k8e h ARG 56 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3k8e h ARG 56 CO -0.07 0.87 -0.34 0.00 -1.07 0.00 0.00 179.97 179.36 3k8e h ALA 57 N 1.10 0.66 -0.27 0.04 0.00 -1.27 -1.43 119.26 118.10 3k8e h ALA 57 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3k8e h ALA 57 Cb 0.84 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3k8e h ALA 57 CO 0.07 0.67 -0.30 0.28 0.00 0.00 0.00 179.25 179.97 3k8e h VAL 58 N 0.73 1.31 -0.05 0.00 2.07 -1.30 -3.07 116.25 115.94 3k8e h VAL 58 Ca 0.07 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3k8e h VAL 58 Cb 0.92 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3k8e h VAL 58 CO 0.08 0.47 -0.26 -0.33 0.02 0.00 0.00 177.57 177.56 3k8e h GLU 59 N 0.40 0.09 -0.22 1.57 5.08 -1.30 0.26 114.58 120.45 3k8e h GLU 59 Ca 0.04 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3k8e h GLU 59 Cb 0.87 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3k8e h GLU 59 CO 0.07 0.34 -0.23 0.00 -1.00 0.00 0.00 179.01 178.19 3k8e h ALA 60 N 1.66 1.20 -0.27 3.43 0.00 -1.16 -0.84 119.26 123.29 3k8e h ALA 60 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k8e h ALA 60 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k8e h ALA 60 CO 0.04 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3k8e n ALA 61 N -2.48 2.52 -0.97 0.00 0.00 -1.07 -4.90 120.51 113.60 3k8e n ALA 61 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3k8e n ALA 61 Cb 0.38 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3k8e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8e n GLY 62 N 0.85 0.44 3.84 0.00 0.00 -0.32 -5.02 105.19 104.98 3k8e n GLY 62 Ca 0.09 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3k8e n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8e s GLY 63 N -2.61 2.51 0.24 -0.02 0.00 0.06 -4.97 107.32 102.53 3k8e s GLY 63 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3k8e s GLY 63 CO 0.00 0.22 1.07 1.85 0.00 0.00 0.00 173.10 176.24 3k8e s GLU 64 N -1.69 4.67 0.03 2.90 2.12 -1.24 -3.78 118.70 121.71 3k8e s GLU 64 Ca 0.35 1.71 0.08 0.00 0.36 0.00 0.00 54.97 57.47 3k8e s GLU 64 Cb -0.16 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3k8e s GLU 64 CO 0.19 0.24 -0.22 0.08 -0.54 0.00 0.00 175.26 175.00 3k8e s VAL 65 N -0.89 1.80 -0.15 3.70 1.01 -1.26 -1.98 120.40 122.63 3k8e s VAL 65 Ca 0.45 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3k8e s VAL 65 Cb -0.30 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.56 3k8e s VAL 65 CO 0.37 0.30 -0.15 0.00 0.00 0.00 0.00 175.10 175.63 3k8e s MET 67 N 1.43 4.75 0.28 0.00 -1.94 -1.26 -2.77 119.30 119.77 3k8e s MET 67 Ca 0.04 1.53 0.06 0.00 -1.71 0.00 0.00 55.69 55.61 3k8e s MET 67 Cb -0.13 -3.16 -0.06 0.00 2.01 0.00 0.00 34.83 33.49 3k8e s MET 67 CO -0.10 0.39 -0.03 0.95 -0.01 0.00 0.00 175.02 176.22 3k8e s THR 68 N -1.26 1.46 0.18 2.05 -4.23 -0.64 -4.91 115.64 108.30 3k8e s THR 68 Ca 0.44 -2.09 -0.33 0.00 -1.18 0.00 0.00 61.69 58.53 3k8e s THR 68 Cb -0.26 -2.47 -0.15 0.00 1.34 0.00 0.00 72.50 70.95 3k8e s THR 68 CO 0.32 -0.27 1.20 -1.14 -0.54 0.00 0.00 174.62 174.20 3k8e n ARG 69 N -0.56 1.29 0.27 3.99 3.00 -1.26 -4.44 116.66 118.94 3k8e n ARG 69 Ca -0.05 0.46 0.16 0.00 -0.00 0.00 0.00 57.85 58.42 3k8e n ARG 69 Cb 0.64 -1.98 0.63 0.00 0.00 0.00 0.00 32.46 31.74 3k8e n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k8e h ALA 70 N 3.51 1.00 -2.64 5.13 0.00 -1.97 -3.44 119.26 120.85 3k8e h ALA 70 Ca -0.43 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 3k8e h ALA 70 Cb 1.33 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.21 3k8e h ALA 70 CO 0.71 0.03 0.43 -0.51 0.00 0.00 0.00 179.25 179.91 3k8e s ASP 71 N -5.78 5.43 0.26 0.00 1.11 -1.26 -4.96 116.67 111.47 3k8e s ASP 71 Ca 0.01 2.21 -0.30 0.00 0.18 0.00 0.00 52.55 54.66 3k8e s ASP 71 Cb 0.09 -2.58 -0.10 0.00 1.07 0.00 0.00 42.92 41.40 3k8e s ASP 71 CO 0.56 -1.42 1.37 -2.28 1.18 0.00 0.00 175.17 174.59 3k8e s HIS 72 N -1.82 3.09 0.04 4.23 5.65 -1.26 -5.03 115.29 120.19 3k8e s HIS 72 Ca 0.73 1.17 0.02 0.00 0.25 0.00 0.00 55.06 57.23 3k8e s HIS 72 Cb -0.25 -3.73 -0.02 0.00 -1.18 0.00 0.00 32.58 27.40 3k8e s HIS 72 CO 0.31 -2.26 -0.07 -0.65 -0.65 0.00 0.00 174.74 171.43 3k8e s GLN 73 N -0.66 0.48 0.95 2.88 -0.21 -1.26 -5.10 119.66 116.74 3k8e s GLN 73 Ca 0.56 -0.73 -0.12 0.00 0.02 0.00 0.00 55.36 55.09 3k8e s GLN 73 Cb -0.40 -0.21 0.16 0.00 1.00 0.00 0.00 33.01 33.56 3k8e s GLN 73 CO 0.44 0.03 1.09 -1.54 -2.12 0.00 0.00 175.29 173.19 3k8e s SER 74 N -1.56 2.98 0.25 5.90 1.04 -1.26 -4.82 113.70 116.23 3k8e s SER 74 Ca -0.11 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 3k8e s SER 74 Cb -0.10 -2.11 0.47 0.00 0.10 0.00 0.00 66.02 64.37 3k8e s SER 74 CO 0.00 -2.94 1.72 1.23 0.98 0.00 0.00 173.24 174.23 3k8e h GLY 75 N -1.76 1.13 1.01 7.32 0.00 -2.00 -1.51 103.07 107.27 3k8e h GLY 75 Ca -0.52 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 3k8e h GLY 75 CO 0.54 -0.12 -0.33 -0.84 0.00 0.00 0.00 176.54 175.79 3k8e h THR 76 N 0.41 1.30 -0.31 4.70 2.02 -1.99 -2.23 112.91 116.80 3k8e h THR 76 Ca 0.42 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 66.10 3k8e h THR 76 Cb 0.65 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3k8e h THR 76 CO -0.42 0.49 0.21 -0.33 0.37 0.00 0.00 175.52 175.83 3k8e h GLU 77 N 0.50 0.35 -0.23 6.66 5.08 -1.83 -0.00 114.58 125.10 3k8e h GLU 77 Ca 0.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3k8e h GLU 77 Cb 0.91 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3k8e h GLU 77 CO 0.08 0.23 -0.34 0.00 -1.00 0.00 0.00 179.01 177.98 3k8e h ARG 78 N 0.36 0.63 -0.51 2.33 3.08 -1.08 -2.51 114.38 116.68 3k8e h ARG 78 Ca 0.12 -0.38 0.08 0.00 0.07 0.00 0.00 59.98 59.87 3k8e h ARG 78 Cb 0.05 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3k8e h ARG 78 CO -0.03 0.99 0.16 -0.07 -1.07 0.00 0.00 179.97 179.95 3k8e h LEU 79 N 0.33 0.12 -1.16 3.04 4.07 -0.77 -1.67 115.31 119.28 3k8e h LEU 79 Ca 0.02 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3k8e h LEU 79 Cb 0.93 0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 3k8e h LEU 79 CO 0.08 0.09 0.50 0.00 -1.08 0.00 0.00 178.44 178.03 3k8e h ALA 80 N 1.36 1.37 -0.79 1.53 0.00 -0.94 -0.22 119.26 121.57 3k8e h ALA 80 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3k8e h ALA 80 Cb 0.29 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3k8e h ALA 80 CO -0.28 0.55 0.52 1.49 0.00 0.00 0.00 179.25 181.53 3k8e h GLU 81 N 1.09 1.04 -0.50 0.00 4.81 -1.02 -2.40 114.58 117.60 3k8e h GLU 81 Ca 0.29 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3k8e h GLU 81 Cb -0.07 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 3k8e h GLU 81 CO -0.06 0.70 0.19 0.28 -0.73 0.00 0.00 179.01 179.39 3k8e h VAL 82 N 1.07 1.21 -0.59 0.32 2.07 -0.18 0.12 116.25 120.27 3k8e h VAL 82 Ca 0.29 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.22 3k8e h VAL 82 Cb -0.11 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3k8e h VAL 82 CO -0.06 0.25 0.24 0.58 0.02 0.00 0.00 177.57 178.60 3k8e h VAL 83 N 0.67 0.82 -0.28 2.57 2.07 -0.96 0.20 116.25 121.34 3k8e h VAL 83 Ca 0.17 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3k8e h VAL 83 Cb 0.21 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3k8e h VAL 83 CO -0.01 0.08 -0.12 -0.33 0.02 0.00 0.00 177.57 177.21 3k8e h GLU 84 N 0.44 0.57 -0.35 1.57 5.08 -0.96 -1.23 114.58 119.69 3k8e h GLU 84 Ca 0.29 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3k8e h GLU 84 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3k8e h GLU 84 CO -0.27 0.81 -0.30 0.87 -1.00 0.00 0.00 179.01 179.12 3k8e h LYS 85 N 0.32 0.76 -0.00 2.33 1.57 -0.52 -2.76 116.57 118.27 3k8e h LYS 85 Ca 0.06 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3k8e h LYS 85 Cb 0.63 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3k8e h LYS 85 CO 0.04 0.97 -0.13 0.00 -0.57 0.00 0.00 179.45 179.76 3k8e n ALA 87 N -1.44 -1.21 -1.76 0.00 0.00 -0.48 -4.96 120.51 110.66 3k8e n ALA 87 Ca 0.08 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 3k8e n ALA 87 Cb 0.33 -4.82 0.01 0.00 0.00 0.00 0.00 19.45 14.97 3k8e n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8e s PHE 88 N -3.26 2.59 0.60 0.00 0.08 -1.13 -5.01 117.98 111.85 3k8e s PHE 88 Ca 0.52 1.40 -0.17 0.00 0.12 0.00 0.00 56.93 58.80 3k8e s PHE 88 Cb -0.24 -3.70 -0.03 0.00 -0.57 0.00 0.00 43.02 38.48 3k8e s PHE 88 CO 0.65 -2.39 1.12 -1.54 -0.10 0.00 0.00 175.22 172.96 3k8e s SER 89 N -0.89 5.40 0.31 1.36 1.04 -1.26 -4.94 113.70 114.71 3k8e s SER 89 Ca 0.64 2.10 0.07 0.00 0.48 0.00 0.00 55.95 59.24 3k8e s SER 89 Cb -0.38 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 63.93 3k8e s SER 89 CO 0.47 -1.44 1.79 0.44 0.98 0.00 0.00 173.24 175.49 3k8e h ASP 90 N 0.62 0.76 0.00 7.02 3.32 -1.95 -0.52 116.42 125.68 3k8e h ASP 90 Ca -0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3k8e h ASP 90 Cb 1.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3k8e h ASP 90 CO 0.55 0.29 0.00 -0.90 -1.72 0.00 0.00 179.24 177.46 3k8e n ASP 91 N -4.72 0.00 -4.75 6.45 5.68 -1.26 0.01 116.55 117.97 3k8e n ASP 91 Ca 0.22 -1.10 -0.41 0.00 -0.50 0.00 0.00 54.79 53.01 3k8e n ASP 91 Cb 0.57 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.52 3k8e n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3k8e s THR 92 N -2.00 3.21 -0.32 2.12 2.01 -0.20 -4.81 115.64 115.65 3k8e s THR 92 Ca 0.28 1.05 -0.19 0.00 0.31 0.00 0.00 61.69 63.14 3k8e s THR 92 Cb 0.13 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 3k8e s THR 92 CO 0.22 0.19 0.57 -0.69 -0.69 0.00 0.00 174.62 174.22 3k8e s VAL 93 N -0.28 4.98 -0.13 3.82 1.01 -1.26 -0.42 120.40 128.12 3k8e s VAL 93 Ca 0.53 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.14 3k8e s VAL 93 Cb -0.36 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3k8e s VAL 93 CO 0.41 -0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 174.70 3k8e s ILE 94 N 2.51 4.07 -0.18 2.22 -1.09 0.23 -1.29 121.20 127.67 3k8e s ILE 94 Ca 0.22 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.29 3k8e s ILE 94 Cb -0.15 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3k8e s ILE 94 CO 0.12 0.53 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.66 3k8e s VAL 95 N -0.07 4.04 -0.49 2.92 1.01 -0.25 -1.30 120.40 126.25 3k8e s VAL 95 Ca 0.03 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 3k8e s VAL 95 Cb -0.13 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.50 3k8e s VAL 95 CO 0.02 0.46 0.69 0.21 0.00 0.00 0.00 175.10 176.49 3k8e s ASN 96 N 0.59 6.28 -0.16 3.32 2.47 0.13 -1.56 114.94 126.01 3k8e s ASN 96 Ca -0.01 -0.60 -0.05 0.00 0.42 0.00 0.00 52.86 52.62 3k8e s ASN 96 Cb -0.14 -2.33 -0.03 0.00 -1.45 0.00 0.00 41.25 37.30 3k8e s ASN 96 CO 0.02 -0.91 0.01 -0.69 -3.72 0.00 0.00 177.10 171.80 3k8e s VAL 97 N 2.95 4.29 0.65 -5.21 1.01 -1.06 -2.67 120.40 120.36 3k8e s VAL 97 Ca 0.21 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3k8e s VAL 97 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3k8e s VAL 97 CO 0.16 0.50 1.09 -1.10 0.00 0.00 0.00 175.10 175.74 3k8e s GLN 98 N 0.19 2.92 0.00 2.72 -0.21 -1.26 -4.05 119.66 119.97 3k8e s GLN 98 Ca 0.01 1.27 0.17 0.00 0.02 0.00 0.00 55.36 56.83 3k8e s GLN 98 Cb -0.13 -1.97 0.65 0.00 1.00 0.00 0.00 33.01 32.55 3k8e s GLN 98 CO 0.02 -1.14 1.47 0.41 -2.12 0.00 0.00 175.29 173.93 3k8e n GLY 99 N -0.87 0.18 0.96 3.09 0.00 -1.26 -3.73 105.19 103.56 3k8e n GLY 99 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3k8e n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8e n ASP 100 N 0.22 2.56 -3.15 1.61 5.75 -1.26 -4.54 116.55 117.73 3k8e n ASP 100 Ca 0.14 -3.63 -0.26 0.00 -0.01 0.00 0.00 54.79 51.03 3k8e n ASP 100 Cb 0.28 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 3k8e n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8e n GLU 101 N -1.06 2.71 0.30 0.11 -0.58 -1.24 -1.20 120.64 119.67 3k8e n GLU 101 Ca 0.28 -4.62 0.19 0.00 -0.42 0.00 0.00 57.16 52.59 3k8e n GLU 101 Cb 0.93 -2.16 0.87 0.00 -0.57 0.00 0.00 31.44 30.51 3k8e n GLU 101 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3k8e h PRO 102 N 3.49 0.00 -0.32 3.49 0.13 -1.87 -2.38 132.00 134.54 3k8e h PRO 102 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3k8e h PRO 102 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3k8e h PRO 102 CO 0.79 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.23 3k8e n MET 103 N -3.06 3.27 -1.89 0.86 2.81 -1.26 -4.51 117.12 113.33 3k8e n MET 103 Ca -0.01 -2.88 -0.42 0.00 -1.81 0.00 0.00 57.70 52.59 3k8e n MET 103 Cb 0.22 -1.90 -0.03 0.00 -0.71 0.00 0.00 33.22 30.80 3k8e n MET 103 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3k8e s ILE 104 N -2.75 2.97 0.23 2.02 2.07 -0.90 -4.78 121.20 120.08 3k8e s ILE 104 Ca 0.44 0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 59.79 3k8e s ILE 104 Cb 0.35 -3.26 -0.10 0.00 0.13 0.00 0.00 42.46 39.57 3k8e s ILE 104 CO 0.10 -0.00 1.45 -2.84 -1.91 0.00 0.00 174.94 171.75 3k8e s PRO 105 N 2.75 4.26 0.44 3.50 0.02 -1.26 -4.82 135.00 139.89 3k8e s PRO 105 Ca 0.75 2.30 0.11 0.00 0.02 0.00 0.00 61.00 64.19 3k8e s PRO 105 Cb -0.41 -3.12 0.96 0.00 0.02 0.00 0.00 34.50 31.95 3k8e s PRO 105 CO 0.33 -0.44 2.02 0.00 -0.33 0.00 0.00 177.00 178.58 3k8e h ALA 106 N 5.31 1.71 -0.25 -1.55 0.00 -1.92 -2.65 119.26 119.91 3k8e h ALA 106 Ca -0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3k8e h ALA 106 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3k8e h ALA 106 CO 0.80 0.22 0.08 1.79 0.00 0.00 0.00 179.25 182.15 3k8e h THR 107 N 0.21 1.11 0.00 0.00 1.35 -1.91 -2.63 112.91 111.05 3k8e h THR 107 Ca 0.05 -0.37 -0.13 0.00 -0.55 0.00 0.00 66.41 65.42 3k8e h THR 107 Cb 0.17 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 3k8e h THR 107 CO 0.00 0.13 -0.61 0.16 -0.25 0.00 0.00 175.52 174.96 3k8e h ILE 108 N 0.35 1.14 -0.47 6.82 3.07 -1.84 -0.81 117.51 125.78 3k8e h ILE 108 Ca 0.09 -2.35 -0.01 0.00 1.55 0.00 0.00 64.86 64.14 3k8e h ILE 108 Cb 0.10 2.39 -0.02 0.00 -0.27 0.00 0.00 36.82 39.02 3k8e h ILE 108 CO -0.01 0.60 0.25 0.40 -1.05 0.00 0.00 178.15 178.34 3k8e h ILE 109 N 0.00 1.17 -0.11 0.16 2.04 -1.55 -1.94 117.51 117.28 3k8e h ILE 109 Ca -0.01 -0.44 -0.15 0.00 1.00 0.00 0.00 64.86 65.26 3k8e h ILE 109 Cb 1.34 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3k8e h ILE 109 CO 0.08 0.18 -0.59 -0.09 0.00 0.00 0.00 178.15 177.73 3k8e h ARG 110 N 0.61 0.36 0.07 2.37 2.43 -1.44 -2.55 114.38 116.23 3k8e h ARG 110 Ca 0.16 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3k8e h ARG 110 Cb 0.06 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3k8e h ARG 110 CO -0.03 0.84 -0.09 0.37 -1.51 0.00 0.00 179.97 179.55 3k8e h GLN 111 N 0.27 -0.19 -0.77 0.20 4.15 -0.89 0.07 115.11 117.96 3k8e h GLN 111 Ca -0.00 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3k8e h GLN 111 Cb 1.11 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 3k8e h GLN 111 CO 0.10 -0.13 0.50 0.28 -1.93 0.00 0.00 178.83 177.65 3k8e h VAL 112 N -0.20 1.16 0.04 2.39 2.07 -1.32 -0.17 116.25 120.22 3k8e h VAL 112 Ca 0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k8e h VAL 112 Cb 0.20 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3k8e h VAL 112 CO -0.04 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 3k8e h ALA 113 N 1.30 -0.06 -0.22 1.67 0.00 -1.13 -1.95 119.26 118.87 3k8e h ALA 113 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3k8e h ALA 113 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3k8e h ALA 113 CO -0.08 -0.51 0.10 -0.44 0.00 0.00 0.00 179.25 178.31 3k8e h ASP 114 N -0.10 0.30 -0.95 0.00 5.19 -0.76 -1.57 116.42 118.52 3k8e h ASP 114 Ca -0.01 -0.14 0.16 0.00 -0.62 0.00 0.00 57.03 56.42 3k8e h ASP 114 Cb 0.08 -0.08 -0.10 0.00 0.18 0.00 0.00 39.33 39.42 3k8e h ASP 114 CO 0.01 0.36 0.56 0.78 -3.12 0.00 0.00 179.24 177.83 3k8e h ASN 115 N 0.21 0.75 -0.06 6.45 4.21 -0.95 -0.86 115.58 125.33 3k8e h ASN 115 Ca 0.07 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 3k8e h ASN 115 Cb 0.15 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3k8e h ASN 115 CO -0.01 0.32 -0.07 0.25 -1.29 0.00 0.00 177.43 176.64 3k8e h LEU 116 N 0.79 0.17 -0.68 1.61 7.12 -1.14 -3.31 115.31 119.87 3k8e h LEU 116 Ca 0.52 -0.50 0.11 0.00 0.13 0.00 0.00 57.88 58.13 3k8e h LEU 116 Cb 0.70 -0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.70 3k8e h LEU 116 CO -0.34 0.63 0.28 0.00 -0.13 0.00 0.00 178.44 178.89 3k8e h ALA 117 N 0.54 0.92 -0.25 1.25 0.00 -0.45 -2.37 119.26 118.89 3k8e h ALA 117 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3k8e h ALA 117 Cb 0.59 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3k8e h ALA 117 CO 0.02 -0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.23 3k8e n GLN 118 N -4.96 1.71 -3.77 0.00 10.64 -0.41 -4.81 117.38 115.78 3k8e n GLN 118 Ca 0.11 -0.94 -0.10 0.00 -1.83 0.00 0.00 57.00 54.24 3k8e n GLN 118 Cb 0.31 -1.51 -0.05 0.00 -0.86 0.00 0.00 30.24 28.13 3k8e n GLN 118 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3k8e s ARG 119 N -1.22 1.11 -0.76 2.61 0.52 -0.89 -5.05 118.95 115.27 3k8e s ARG 119 Ca 0.17 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 3k8e s ARG 119 Cb 0.14 0.44 0.28 0.00 0.52 0.00 0.00 34.95 36.33 3k8e s ARG 119 CO 0.04 -0.43 1.03 1.04 0.02 0.00 0.00 175.30 177.00 3k8e n GLN 120 N -0.22 3.31 -4.41 3.54 6.02 -1.26 -4.91 117.38 119.45 3k8e n GLN 120 Ca -0.13 -4.68 -0.25 0.00 -0.01 0.00 0.00 57.00 51.93 3k8e n GLN 120 Cb 0.63 -2.33 -0.09 0.00 1.02 0.00 0.00 30.24 29.47 3k8e n GLN 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k8e s VAL 121 N -3.01 2.53 0.10 5.09 0.11 -1.26 -5.02 120.40 118.93 3k8e s VAL 121 Ca 0.39 -2.07 -0.22 0.00 -2.93 0.00 0.00 61.98 57.16 3k8e s VAL 121 Cb 0.15 -2.72 -0.12 0.00 -1.53 0.00 0.00 36.38 32.16 3k8e s VAL 121 CO -0.01 -0.22 1.72 1.23 -3.33 0.00 0.00 175.10 174.50 3k8e h GLY 122 N 1.90 0.14 -5.30 6.54 0.00 -1.88 -3.47 103.07 101.00 3k8e h GLY 122 Ca -0.42 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3k8e h GLY 122 CO 0.67 0.05 -0.28 -0.29 0.00 0.00 0.00 176.54 176.70 3k8e s MET 123 N -6.05 0.43 0.11 4.80 1.75 -1.15 -4.41 119.30 114.79 3k8e s MET 123 Ca -0.13 0.54 0.09 0.00 -1.25 0.00 0.00 55.69 54.94 3k8e s MET 123 Cb 0.07 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.89 3k8e s MET 123 CO 0.68 -0.06 -0.18 0.00 -0.65 0.00 0.00 175.02 174.81 3k8e s ALA 124 N 0.29 2.69 0.00 4.11 0.00 -0.14 -0.94 121.76 127.78 3k8e s ALA 124 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3k8e s ALA 124 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3k8e s ALA 124 CO -0.00 0.59 0.00 -2.37 0.00 0.00 0.00 175.76 173.98 3k8e n THR 125 N 0.86 0.00 -3.96 0.00 5.66 0.72 -1.07 114.28 116.49 3k8e n THR 125 Ca -0.15 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 3k8e n THR 125 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3k8e n THR 125 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3k8e s LEU 126 N 0.00 2.01 0.14 1.09 2.96 -1.26 -2.45 118.68 121.17 3k8e s LEU 126 Ca 0.00 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3k8e s LEU 126 Cb 0.00 0.37 -0.04 0.00 0.50 0.00 0.00 46.19 47.02 3k8e s LEU 126 CO 0.00 -0.42 0.04 0.00 -1.32 0.00 0.00 176.35 174.65 3k8e s ALA 127 N -2.11 0.96 0.02 5.97 0.00 -0.25 -0.64 121.76 125.71 3k8e s ALA 127 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3k8e s ALA 127 Cb -0.05 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3k8e s ALA 127 CO -0.03 -0.44 -0.03 0.14 0.00 0.00 0.00 175.76 175.40 3k8e s VAL 128 N -3.95 0.15 0.47 0.00 -7.23 0.04 -0.66 120.40 109.22 3k8e s VAL 128 Ca 0.23 -0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 3k8e s VAL 128 Cb 0.07 -0.26 -0.07 0.00 0.56 0.00 0.00 36.38 36.68 3k8e s VAL 128 CO 0.01 -0.38 1.23 -2.16 -0.31 0.00 0.00 175.10 173.50 3k8e s PRO 129 N -1.19 3.67 -0.12 4.82 0.04 -1.26 0.08 135.00 141.05 3k8e s PRO 129 Ca -0.12 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3k8e s PRO 129 Cb -0.08 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3k8e s PRO 129 CO -0.01 -0.67 0.26 0.42 0.04 0.00 0.00 177.00 177.04 3k8e s ILE 130 N -1.43 5.31 -0.12 0.56 1.01 -0.51 -4.78 121.20 121.24 3k8e s ILE 130 Ca 0.64 0.49 0.11 0.00 0.00 0.00 0.00 60.65 61.89 3k8e s ILE 130 Cb -0.33 -3.57 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 3k8e s ILE 130 CO 0.40 0.50 0.05 1.41 0.00 0.00 0.00 174.94 177.31 3k8e n HIS 131 N 2.73 0.00 -3.87 3.97 8.25 -1.26 -4.62 115.22 120.42 3k8e n HIS 131 Ca -0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 3k8e n HIS 131 Cb 0.53 -0.59 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 3k8e n HIS 131 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3k8e s ASN 132 N -4.45 6.40 0.47 0.41 0.01 -1.26 -4.93 114.94 111.59 3k8e s ASN 132 Ca -0.06 0.45 0.23 0.00 -0.71 0.00 0.00 52.86 52.77 3k8e s ASN 132 Cb 0.04 -2.05 1.18 0.00 0.41 0.00 0.00 41.25 40.83 3k8e s ASN 132 CO 0.50 0.36 1.97 0.00 -1.51 0.00 0.00 177.10 178.42 3k8e h ALA 133 N 4.57 1.26 -0.28 0.60 0.00 -1.90 -0.95 119.26 122.57 3k8e h ALA 133 Ca -0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 3k8e h ALA 133 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k8e h ALA 133 CO 0.62 0.24 0.10 1.49 0.00 0.00 0.00 179.25 181.70 3k8e h GLU 134 N 0.00 0.44 -0.40 0.00 4.57 -1.92 -1.91 114.58 115.36 3k8e h GLU 134 Ca -0.00 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 3k8e h GLU 134 Cb 0.48 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3k8e h GLU 134 CO 0.03 0.48 -0.22 1.49 -1.18 0.00 0.00 179.01 179.61 3k8e h GLU 135 N 0.30 0.85 -0.75 1.92 4.81 -1.87 -1.75 114.58 118.08 3k8e h GLU 135 Ca 0.09 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3k8e h GLU 135 Cb 0.22 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3k8e h GLU 135 CO -0.00 1.02 0.49 0.00 -0.73 0.00 0.00 179.01 179.79 3k8e h ALA 136 N 0.81 1.69 -0.32 2.92 0.00 -1.13 -2.28 119.26 120.95 3k8e h ALA 136 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k8e h ALA 136 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k8e h ALA 136 CO 0.06 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.69 3k8e n PHE 137 N -4.48 0.41 -2.95 0.00 3.72 -0.73 -4.44 117.46 108.99 3k8e n PHE 137 Ca 0.11 -0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 3k8e n PHE 137 Cb 0.23 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 3k8e n PHE 137 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3k8e s ASN 138 N -1.49 6.46 0.33 4.37 3.84 -0.67 -4.94 114.94 122.84 3k8e s ASN 138 Ca 0.36 0.03 0.18 0.00 0.21 0.00 0.00 52.86 53.65 3k8e s ASN 138 Cb 0.21 -2.40 1.00 0.00 -0.55 0.00 0.00 41.25 39.51 3k8e s ASN 138 CO 0.29 -0.88 1.52 -2.65 -2.79 0.00 0.00 177.10 172.58 3k8e n PRO 139 N 6.69 0.12 -0.03 0.43 -0.02 -1.26 -0.80 135.00 140.14 3k8e n PRO 139 Ca 0.03 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3k8e n PRO 139 Cb 0.48 -2.02 0.45 0.00 -0.02 0.00 0.00 33.50 32.39 3k8e n PRO 139 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k8e n ASN 140 N -2.18 1.68 -4.33 2.55 5.03 -1.26 -4.72 115.26 112.03 3k8e n ASN 140 Ca -0.01 -1.60 -0.37 0.00 0.87 0.00 0.00 54.58 53.47 3k8e n ASN 140 Cb 0.16 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 38.76 3k8e n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k8e s ALA 141 N -1.93 3.07 -0.19 5.41 0.00 0.02 -5.06 121.76 123.08 3k8e s ALA 141 Ca 0.36 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 3k8e s ALA 141 Cb 0.20 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 3k8e s ALA 141 CO 0.31 -1.05 0.97 0.08 0.00 0.00 0.00 175.76 176.07 3k8e s VAL 142 N 1.48 4.76 0.32 0.00 1.01 -1.26 -4.71 120.40 121.99 3k8e s VAL 142 Ca 0.01 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.83 3k8e s VAL 142 Cb -0.18 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3k8e s VAL 142 CO 0.03 -0.08 0.61 -0.54 0.00 0.00 0.00 175.10 175.11 3k8e s LYS 143 N 2.66 3.67 -0.02 2.72 3.01 -0.04 0.11 119.74 131.85 3k8e s LYS 143 Ca 0.43 0.13 -0.02 0.00 -1.01 0.00 0.00 55.97 55.50 3k8e s LYS 143 Cb -0.16 -2.58 0.01 0.00 -1.01 0.00 0.00 37.83 34.09 3k8e s LYS 143 CO 0.10 0.15 0.06 0.54 0.51 0.00 0.00 175.35 176.71 3k8e s VAL 144 N -2.15 -0.00 -0.04 3.17 0.11 -0.91 -1.27 120.40 119.30 3k8e s VAL 144 Ca 0.46 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.58 3k8e s VAL 144 Cb -0.11 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 3k8e s VAL 144 CO 0.30 0.01 -0.21 0.54 -3.33 0.00 0.00 175.10 172.41 3k8e s VAL 145 N 0.13 2.45 0.29 2.04 0.11 -1.07 -4.26 120.40 120.10 3k8e s VAL 145 Ca -0.01 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.19 3k8e s VAL 145 Cb -0.01 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 3k8e s VAL 145 CO -0.00 0.58 0.02 -0.76 -3.33 0.00 0.00 175.10 171.61 3k8e s LEU 146 N -0.54 3.15 0.00 2.54 1.43 -1.26 -0.43 118.68 123.56 3k8e s LEU 146 Ca 0.08 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3k8e s LEU 146 Cb -0.11 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.60 3k8e s LEU 146 CO 0.01 -0.09 0.94 -0.90 0.23 0.00 0.00 176.35 176.54 3k8e n ASP 147 N -0.94 1.62 -0.03 2.29 5.68 -0.64 -4.82 116.55 119.70 3k8e n ASP 147 Ca -0.05 -2.29 0.09 0.00 -0.50 0.00 0.00 54.79 52.03 3k8e n ASP 147 Cb 0.60 -0.58 0.48 0.00 -1.14 0.00 0.00 41.12 40.48 3k8e n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8e h ALA 148 N -0.37 1.89 -0.16 2.12 0.00 -2.01 0.81 119.26 121.54 3k8e h ALA 148 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3k8e h ALA 148 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3k8e h ALA 148 CO 0.37 0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.03 3k8e n GLU 149 N -4.48 1.72 -0.67 0.00 1.02 -1.26 -4.92 120.64 112.05 3k8e n GLU 149 Ca 0.06 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 3k8e n GLU 149 Cb 0.23 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3k8e n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8e n GLY 150 N 1.12 0.64 3.77 0.62 0.00 0.28 -4.92 105.19 106.71 3k8e n GLY 150 Ca 0.16 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3k8e n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8e s TYR 151 N -2.00 3.78 0.13 1.61 2.02 -1.26 -1.07 117.35 120.56 3k8e s TYR 151 Ca 0.00 1.78 -0.31 0.00 -0.37 0.00 0.00 57.07 58.17 3k8e s TYR 151 Cb 0.00 -2.91 -0.08 0.00 -0.40 0.00 0.00 41.96 38.57 3k8e s TYR 151 CO 0.00 0.31 1.43 0.00 -1.57 0.00 0.00 175.55 175.72 3k8e s ALA 152 N -1.46 3.64 -0.03 3.71 0.00 0.31 -1.63 121.76 126.30 3k8e s ALA 152 Ca 0.46 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 53.39 3k8e s ALA 152 Cb -0.21 -3.56 -0.29 0.00 0.00 0.00 0.00 23.12 19.06 3k8e s ALA 152 CO 0.26 -0.65 0.96 -0.07 0.00 0.00 0.00 175.76 176.25 3k8e h LEU 153 N 6.80 0.50 -7.00 0.00 4.07 -1.07 -3.44 115.31 115.17 3k8e h LEU 153 Ca -0.42 -0.90 0.03 0.00 0.08 0.00 0.00 57.88 56.67 3k8e h LEU 153 Cb 1.21 -0.16 -0.22 0.00 1.08 0.00 0.00 40.66 42.57 3k8e h LEU 153 CO 0.88 1.35 0.41 -0.47 -1.08 0.00 0.00 178.44 179.53 3k8e s TYR 154 N -2.66 -0.48 0.02 1.13 5.04 -1.23 -5.05 117.35 114.12 3k8e s TYR 154 Ca -0.13 0.85 0.06 0.00 -2.44 0.00 0.00 57.07 55.41 3k8e s TYR 154 Cb 0.02 0.43 -0.03 0.00 0.35 0.00 0.00 41.96 42.73 3k8e s TYR 154 CO 0.83 -0.43 -0.18 -0.06 -1.34 0.00 0.00 175.55 174.37 3k8e s PHE 155 N -1.06 2.58 -0.08 4.97 0.08 -1.26 -2.58 117.98 120.63 3k8e s PHE 155 Ca -0.05 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 3k8e s PHE 155 Cb -0.01 -1.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.02 3k8e s PHE 155 CO 0.04 0.22 0.73 0.45 -0.10 0.00 0.00 175.22 176.56 3k8e s SER 156 N -1.23 -0.62 0.38 1.36 0.15 -0.40 -4.99 113.70 108.36 3k8e s SER 156 Ca 0.14 0.72 0.26 0.00 0.70 0.00 0.00 55.95 57.76 3k8e s SER 156 Cb -0.10 0.56 0.69 0.00 -1.71 0.00 0.00 66.02 65.46 3k8e s SER 156 CO 0.04 -0.55 1.73 0.03 1.20 0.00 0.00 173.24 175.68 3k8e h ARG 157 N 3.06 0.00 -7.35 5.44 3.08 -1.85 -0.08 114.38 116.69 3k8e h ARG 157 Ca -0.26 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.30 3k8e h ARG 157 Cb 1.14 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.33 3k8e h ARG 157 CO 0.36 0.00 0.29 0.00 -1.07 0.00 0.00 179.97 179.55 3k8e s ALA 158 N -3.27 1.89 -1.19 0.04 0.00 -1.26 -4.33 121.76 113.64 3k8e s ALA 158 Ca 0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 3k8e s ALA 158 Cb 0.08 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.11 3k8e s ALA 158 CO 0.61 -2.05 1.55 0.99 0.00 0.00 0.00 175.76 176.86 3k8e s THR 159 N -2.99 4.36 0.01 0.00 2.01 -1.26 -4.65 115.64 113.12 3k8e s THR 159 Ca 0.62 -1.84 0.05 0.00 0.31 0.00 0.00 61.69 60.83 3k8e s THR 159 Cb -0.17 -5.07 -0.03 0.00 0.01 0.00 0.00 72.50 67.24 3k8e s THR 159 CO 0.56 -1.87 -0.12 0.27 -0.69 0.00 0.00 174.62 172.78 3k8e s ILE 160 N 3.59 3.27 0.41 1.82 -4.36 -1.26 -3.54 121.20 121.14 3k8e s ILE 160 Ca 0.48 -0.93 -0.23 0.00 -0.26 0.00 0.00 60.65 59.71 3k8e s ILE 160 Cb 0.01 -2.40 -0.09 0.00 1.25 0.00 0.00 42.46 41.23 3k8e s ILE 160 CO 0.01 0.39 1.01 -2.16 0.24 0.00 0.00 174.94 174.43 3k8e s PRO 161 N -1.37 4.18 -0.13 0.37 0.04 -1.26 -4.64 135.00 132.20 3k8e s PRO 161 Ca 0.16 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3k8e s PRO 161 Cb -0.11 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3k8e s PRO 161 CO 0.06 -0.10 1.27 -0.46 0.04 0.00 0.00 177.00 177.81 3k8e s TRP 162 N -1.83 2.89 -1.16 0.56 -0.11 -1.23 -4.95 118.94 113.10 3k8e s TRP 162 Ca 0.59 1.01 -0.17 0.00 1.22 0.00 0.00 56.10 58.75 3k8e s TRP 162 Cb -0.17 -3.51 0.11 0.00 -1.50 0.00 0.00 33.47 28.40 3k8e s TRP 162 CO 0.22 -1.75 1.49 0.34 -4.62 0.00 0.00 176.95 172.63 3k8e s ASP 163 N 1.92 6.84 0.17 5.86 3.68 -1.26 -4.90 116.67 128.98 3k8e s ASP 163 Ca 0.56 -2.43 -0.22 0.00 2.13 0.00 0.00 52.55 52.60 3k8e s ASP 163 Cb -0.23 -2.49 0.09 0.00 -1.45 0.00 0.00 42.92 38.84 3k8e s ASP 163 CO 0.18 -1.05 1.60 -0.09 0.13 0.00 0.00 175.17 175.93 3k8e h ARG 164 N 7.96 -0.20 -0.09 4.34 2.43 -1.97 0.15 114.38 127.00 3k8e h ARG 164 Ca 0.32 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.37 3k8e h ARG 164 Cb 0.92 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3k8e h ARG 164 CO 1.32 -0.13 -0.51 -0.44 -1.51 0.00 0.00 179.97 178.70 3k8e h ASP 165 N -0.20 0.28 -0.02 -3.80 5.19 -2.00 -1.86 116.42 114.00 3k8e h ASP 165 Ca 0.20 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.40 3k8e h ASP 165 Cb 0.53 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.97 3k8e h ASP 165 CO -0.59 0.74 -0.29 -0.09 -3.12 0.00 0.00 179.24 175.90 3k8e h ARG 166 N 0.20 0.22 0.00 3.56 2.43 -1.80 -3.28 114.38 115.71 3k8e h ARG 166 Ca 0.01 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3k8e h ARG 166 Cb 0.97 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3k8e h ARG 166 CO 0.08 0.92 0.00 1.19 -1.51 0.00 0.00 179.97 180.65 3k8e n PHE 167 N -4.48 0.00 -0.11 2.20 3.72 0.49 -2.30 117.46 116.99 3k8e n PHE 167 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.18 3k8e n PHE 167 Cb 0.51 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3k8e n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k8e h ALA 168 N 2.81 0.45 0.19 4.37 0.00 -1.39 -3.32 119.26 122.35 3k8e h ALA 168 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 3k8e h ALA 168 Cb 0.26 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.98 3k8e h ALA 168 CO 0.00 0.36 -1.24 1.05 0.00 0.00 0.00 179.25 179.43 3k8e h GLU 169 N 0.43 0.51 -2.06 0.00 4.11 -1.64 -3.49 114.58 112.45 3k8e h GLU 169 Ca 0.07 -0.80 0.16 0.00 0.07 0.00 0.00 59.36 58.86 3k8e h GLU 169 Cb 0.70 0.29 -0.15 0.00 0.50 0.00 0.00 28.75 30.09 3k8e h GLU 169 CO 0.05 1.37 0.58 0.20 0.07 0.00 0.00 179.01 181.28 3k8e s GLY 170 N -4.49 -0.39 0.00 1.06 0.00 -0.97 -4.99 107.32 97.53 3k8e s GLY 170 Ca -0.10 1.01 0.23 0.00 0.00 0.00 0.00 44.72 45.85 3k8e s GLY 170 CO 0.91 0.32 1.45 1.04 0.00 0.00 0.00 173.10 176.82 3k8e n LEU 171 N -0.25 2.70 0.25 0.66 7.99 -1.26 -3.70 117.00 123.39 3k8e n LEU 171 Ca -0.06 -1.09 0.07 0.00 -0.01 0.00 0.00 56.01 54.92 3k8e n LEU 171 Cb 0.61 -0.14 0.60 0.00 -0.11 0.00 0.00 43.42 44.38 3k8e n LEU 171 CO 0.11 0.55 1.01 1.05 -1.51 0.00 0.00 177.39 178.60 3k8e h GLU 172 N 3.70 0.00 -4.90 3.23 -0.00 -1.94 -3.46 114.58 111.21 3k8e h GLU 172 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 59.36 58.96 3k8e h GLU 172 Cb 0.81 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 29.42 3k8e h GLU 172 CO 0.00 0.06 -0.57 0.95 -0.00 0.00 0.00 179.01 179.45 3k8e s THR 173 N -4.89 0.41 -0.16 -1.06 -4.23 -1.26 -4.78 115.64 99.66 3k8e s THR 173 Ca -0.05 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.28 3k8e s THR 173 Cb 0.16 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.51 3k8e s THR 173 CO 0.67 0.00 0.50 -0.69 -0.54 0.00 0.00 174.62 174.56 3k8e s VAL 174 N -3.62 0.01 0.00 2.29 1.01 -1.26 -4.90 120.40 113.92 3k8e s VAL 174 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3k8e s VAL 174 Cb 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3k8e s VAL 174 CO 0.16 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3k8e n GLY 175 N 2.55 -1.47 1.59 4.51 0.00 -1.26 -4.97 105.19 106.15 3k8e n GLY 175 Ca -0.14 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.44 3k8e n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8e n ASP 176 N -0.36 4.84 -0.59 1.61 10.43 -1.26 -4.64 116.55 126.58 3k8e n ASP 176 Ca 0.00 -2.51 0.11 0.00 2.57 0.00 0.00 54.79 54.95 3k8e n ASP 176 Cb 0.00 -0.59 0.02 0.00 1.84 0.00 0.00 41.12 42.40 3k8e n ASP 176 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3k8e n ASN 177 N 1.02 2.21 -4.75 -2.24 6.94 -1.26 -4.90 115.26 112.28 3k8e n ASN 177 Ca 0.26 -1.60 -0.40 0.00 -0.02 0.00 0.00 54.58 52.81 3k8e n ASN 177 Cb 0.92 0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 38.63 3k8e n ASN 177 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3k8e s PHE 178 N -2.21 3.93 -0.06 -2.53 0.08 -1.26 -4.92 117.98 111.01 3k8e s PHE 178 Ca 0.20 1.88 0.04 0.00 0.12 0.00 0.00 56.93 59.17 3k8e s PHE 178 Cb 0.17 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.59 3k8e s PHE 178 CO 0.46 0.34 -0.18 -0.51 -0.10 0.00 0.00 175.22 175.23 3k8e s LEU 179 N -1.04 2.49 -0.18 -0.37 1.43 -1.26 -1.42 118.68 118.33 3k8e s LEU 179 Ca 0.42 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3k8e s LEU 179 Cb -0.26 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3k8e s LEU 179 CO 0.32 0.29 -0.01 -0.60 0.23 0.00 0.00 176.35 176.58 3k8e s ARG 180 N -0.40 3.66 0.22 1.70 3.52 0.11 -2.15 118.95 125.61 3k8e s ARG 180 Ca 0.04 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 3k8e s ARG 180 Cb -0.12 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.16 3k8e s ARG 180 CO 0.02 0.12 1.13 -1.58 -0.81 0.00 0.00 175.30 174.18 3k8e s HIS 181 N 0.71 3.53 -0.12 5.12 5.65 0.12 -0.78 115.29 129.52 3k8e s HIS 181 Ca -0.01 1.58 -0.04 0.00 0.25 0.00 0.00 55.06 56.85 3k8e s HIS 181 Cb -0.14 -3.33 -0.04 0.00 -1.18 0.00 0.00 32.58 27.89 3k8e s HIS 181 CO 0.02 -0.78 0.03 -0.51 -0.65 0.00 0.00 174.74 172.86 3k8e s LEU 182 N -0.76 3.72 -1.45 8.88 1.02 0.19 -4.69 118.68 125.58 3k8e s LEU 182 Ca 0.48 0.16 -0.08 0.00 0.02 0.00 0.00 54.13 54.72 3k8e s LEU 182 Cb -0.31 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.02 3k8e s LEU 182 CO 0.38 0.33 2.71 0.61 0.02 0.00 0.00 176.35 180.39 3k8e n GLY 183 N 2.50 4.68 3.18 -3.19 0.00 -1.26 -4.24 105.19 106.86 3k8e n GLY 183 Ca -0.18 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 3k8e n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8e s ILE 184 N 0.57 1.40 0.00 -0.61 2.07 -1.26 -4.47 121.20 118.91 3k8e s ILE 184 Ca 0.63 -0.89 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3k8e s ILE 184 Cb 0.19 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 3k8e s ILE 184 CO -0.08 0.29 0.02 -0.31 -1.91 0.00 0.00 174.94 172.95 3k8e s TYR 185 N -0.57 0.10 -0.03 3.50 1.51 -1.09 -4.12 117.35 116.65 3k8e s TYR 185 Ca 0.06 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3k8e s TYR 185 Cb -0.07 -0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 3k8e s TYR 185 CO 0.00 -0.12 -0.20 0.20 -1.11 0.00 0.00 175.55 174.32 3k8e s GLY 186 N -0.75 1.03 0.29 0.71 0.00 -0.23 0.18 107.32 108.54 3k8e s GLY 186 Ca -0.08 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 3k8e s GLY 186 CO -0.00 -0.58 0.84 -2.52 0.00 0.00 0.00 173.10 170.84 3k8e s TYR 187 N -0.23 -0.00 0.16 1.90 -0.85 -0.42 -0.96 117.35 116.95 3k8e s TYR 187 Ca 0.01 -0.52 -0.09 0.00 -0.52 0.00 0.00 57.07 55.96 3k8e s TYR 187 Cb -0.10 0.76 -0.06 0.00 0.38 0.00 0.00 41.96 42.93 3k8e s TYR 187 CO 0.01 -1.27 0.46 1.03 -1.52 0.00 0.00 175.55 174.26 3k8e s ARG 188 N -2.84 3.75 0.18 -3.49 0.52 -1.26 -0.60 118.95 115.21 3k8e s ARG 188 Ca 0.15 0.16 -0.13 0.00 -0.52 0.00 0.00 55.73 55.38 3k8e s ARG 188 Cb -0.04 -2.81 0.14 0.00 0.52 0.00 0.00 34.95 32.76 3k8e s ARG 188 CO 0.08 0.43 1.77 0.00 0.02 0.00 0.00 175.30 177.60 3k8e h ALA 189 N 2.96 0.62 -0.79 2.13 0.00 -0.42 -0.92 119.26 122.83 3k8e h ALA 189 Ca -0.47 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3k8e h ALA 189 Cb 1.17 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3k8e h ALA 189 CO 0.69 -0.14 0.52 0.78 0.00 0.00 0.00 179.25 181.10 3k8e h GLY 190 N 0.44 1.09 0.55 0.00 0.00 -0.65 -2.36 103.07 102.15 3k8e h GLY 190 Ca 0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3k8e h GLY 190 CO -0.18 0.26 -0.25 -2.75 0.00 0.00 0.00 176.54 173.63 3k8e h PHE 191 N 0.87 0.31 -0.51 5.60 3.57 -1.55 -3.30 116.94 121.93 3k8e h PHE 191 Ca 0.34 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3k8e h PHE 191 Cb 0.21 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3k8e h PHE 191 CO -0.00 0.89 0.12 0.97 -2.23 0.00 0.00 178.31 178.05 3k8e h ILE 192 N -0.35 1.22 0.00 1.41 6.09 -0.96 -0.64 117.51 124.28 3k8e h ILE 192 Ca -0.02 -0.80 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 3k8e h ILE 192 Cb 0.93 0.71 0.00 0.00 0.47 0.00 0.00 36.82 38.92 3k8e h ILE 192 CO 0.05 0.29 0.00 -2.11 -3.07 0.00 0.00 178.15 173.31 3k8e n ARG 193 N -4.28 0.04 -0.10 2.19 1.85 -0.91 -2.50 116.66 112.95 3k8e n ARG 193 Ca 0.04 0.06 -0.21 0.00 -1.00 0.00 0.00 57.85 56.73 3k8e n ARG 193 Cb 0.22 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 3k8e n ARG 193 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3k8e n ARG 194 N -1.47 0.66 -0.17 2.89 1.74 -0.95 -4.52 116.66 114.83 3k8e n ARG 194 Ca 0.07 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.50 3k8e n ARG 194 Cb 0.29 -1.58 0.44 0.00 -1.02 0.00 0.00 32.46 30.59 3k8e n ARG 194 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3k8e h TYR 195 N -0.26 0.61 0.00 -1.55 3.20 -0.89 -0.98 116.97 117.11 3k8e h TYR 195 Ca -0.55 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.34 3k8e h TYR 195 Cb 1.83 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.90 3k8e h TYR 195 CO 0.02 0.27 0.00 -0.39 -1.64 0.00 0.00 178.16 176.43 3k8e h VAL 196 N 0.56 0.00 -0.02 1.81 -1.51 -1.72 -2.81 116.25 112.56 3k8e h VAL 196 Ca 0.35 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 3k8e h VAL 196 Cb 0.59 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3k8e h VAL 196 CO -0.12 0.00 -0.15 0.59 -1.23 0.00 0.00 177.57 176.65 3k8e n ASN 197 N -2.68 2.51 -4.75 4.19 3.02 -0.38 -4.94 115.26 112.24 3k8e n ASN 197 Ca 0.01 -1.77 -0.41 0.00 -0.03 0.00 0.00 54.58 52.38 3k8e n ASN 197 Cb 0.23 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 3k8e n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3k8e s TRP 198 N -2.16 3.65 0.31 3.10 0.51 -1.06 -4.99 118.94 118.30 3k8e s TRP 198 Ca 0.26 1.69 -0.30 0.00 -2.12 0.00 0.00 56.10 55.63 3k8e s TRP 198 Cb 0.19 -3.23 -0.12 0.00 -0.81 0.00 0.00 33.47 29.51 3k8e s TRP 198 CO 0.39 -0.41 1.54 1.04 -0.51 0.00 0.00 176.95 179.01 3k8e n GLN 199 N 1.79 2.62 -1.67 4.98 1.13 -1.26 -4.92 117.38 120.05 3k8e n GLN 199 Ca 0.01 0.93 -0.40 0.00 -1.94 0.00 0.00 57.00 55.60 3k8e n GLN 199 Cb 0.46 -2.68 0.03 0.00 0.11 0.00 0.00 30.24 28.16 3k8e n GLN 199 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3k8e n PRO 200 N 1.67 1.52 -2.50 -1.09 -0.02 -1.26 -5.00 135.00 128.32 3k8e n PRO 200 Ca 0.07 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 3k8e n PRO 200 Cb 0.37 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3k8e n PRO 200 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k8e s SER 201 N -0.82 6.64 0.53 2.55 1.04 -1.26 -4.95 113.70 117.42 3k8e s SER 201 Ca 0.67 1.64 0.28 0.00 0.48 0.00 0.00 55.95 59.02 3k8e s SER 201 Cb -0.48 -2.52 1.49 0.00 0.10 0.00 0.00 66.02 64.61 3k8e s SER 201 CO 0.53 -0.58 2.09 -0.65 0.98 0.00 0.00 173.24 175.62 3k8e h PRO 202 N 1.21 0.00 -0.68 4.02 0.11 -2.00 -2.20 132.00 132.46 3k8e h PRO 202 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3k8e h PRO 202 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3k8e h PRO 202 CO 0.61 0.11 0.36 -0.07 -0.21 0.00 0.00 178.00 178.79 3k8e h LEU 203 N 0.00 0.51 -0.48 2.35 3.38 -1.96 -2.79 115.31 116.32 3k8e h LEU 203 Ca -0.00 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3k8e h LEU 203 Cb 0.30 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3k8e h LEU 203 CO 0.01 0.32 -0.24 -0.33 0.09 0.00 0.00 178.44 178.29 3k8e h GLU 204 N 0.65 -0.13 -0.01 1.13 5.08 -1.60 -0.74 114.58 118.95 3k8e h GLU 204 Ca 0.31 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 3k8e h GLU 204 Cb 0.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3k8e h GLU 204 CO -0.21 -0.09 -0.61 0.45 -1.00 0.00 0.00 179.01 177.55 3k8e h HIS 205 N -0.14 0.04 0.08 4.33 3.86 -1.64 0.63 115.15 122.31 3k8e h HIS 205 Ca 0.22 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3k8e h HIS 205 Cb 0.48 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3k8e h HIS 205 CO -0.51 0.63 -0.04 0.82 0.86 0.00 0.00 177.93 179.70 3k8e h ILE 206 N 0.02 1.19 -0.00 2.45 2.04 -1.10 -3.25 117.51 118.86 3k8e h ILE 206 Ca -0.01 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3k8e h ILE 206 Cb 1.09 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3k8e h ILE 206 CO 0.08 0.27 -0.26 -0.62 0.00 0.00 0.00 178.15 177.63 3k8e n GLU 207 N -4.90 0.26 -3.84 2.37 -0.58 -0.36 -4.96 120.64 108.65 3k8e n GLU 207 Ca -0.08 -0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.31 3k8e n GLU 207 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3k8e n GLU 207 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3k8e n MET 208 N -1.27 -4.10 -3.67 3.49 2.81 0.22 -4.81 117.12 109.79 3k8e n MET 208 Ca 0.09 0.51 -0.27 0.00 -1.81 0.00 0.00 57.70 56.22 3k8e n MET 208 Cb 0.32 -4.86 -0.16 0.00 -0.71 0.00 0.00 33.22 27.81 3k8e n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8e s LEU 209 N -6.84 0.84 0.44 4.03 1.43 -0.99 -5.03 118.68 112.57 3k8e s LEU 209 Ca 0.02 -0.83 0.14 0.00 -1.03 0.00 0.00 54.13 52.44 3k8e s LEU 209 Cb -0.01 -0.44 0.99 0.00 0.03 0.00 0.00 46.19 46.75 3k8e s LEU 209 CO 0.85 -0.34 1.98 -0.08 0.23 0.00 0.00 176.35 178.99 3k8e h GLU 210 N 8.32 0.00 0.00 1.70 4.81 -1.94 -2.91 114.58 124.56 3k8e h GLU 210 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3k8e h GLU 210 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3k8e h GLU 210 CO 0.34 0.19 0.00 -0.56 -0.73 0.00 0.00 179.01 178.25 3k8e h GLN 211 N 0.00 0.00 0.00 1.92 -0.00 -1.97 -2.10 115.11 112.96 3k8e h GLN 211 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3k8e h GLN 211 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 3k8e h GLN 211 CO 0.03 0.00 0.00 -0.07 -0.00 0.00 0.00 178.83 178.79 3k8e h LEU 212 N 0.00 0.00 -0.78 0.06 3.38 -1.91 -2.40 115.31 113.66 3k8e h LEU 212 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3k8e h LEU 212 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 3k8e h LEU 212 CO 0.00 0.00 0.39 -0.09 0.09 0.00 0.00 178.44 178.83 3k8e h ARG 213 N 0.00 0.59 -0.43 1.13 2.43 -1.61 0.21 114.38 116.71 3k8e h ARG 213 Ca 0.00 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3k8e h ARG 213 Cb 0.17 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3k8e h ARG 213 CO 0.00 0.39 0.25 0.28 -1.51 0.00 0.00 179.97 179.38 3k8e h VAL 214 N 0.61 1.04 -0.31 0.20 2.07 -1.66 -1.90 116.25 116.29 3k8e h VAL 214 Ca 0.40 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.60 3k8e h VAL 214 Cb 0.50 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3k8e h VAL 214 CO -0.32 0.09 -0.39 -0.07 0.02 0.00 0.00 177.57 176.90 3k8e h LEU 215 N 0.51 0.88 -0.75 2.57 3.38 -1.47 -0.89 115.31 119.53 3k8e h LEU 215 Ca 0.17 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3k8e h LEU 215 Cb 0.01 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 3k8e h LEU 215 CO -0.08 1.20 0.39 -0.25 0.09 0.00 0.00 178.44 179.79 3k8e h TRP 216 N 0.58 0.69 -0.08 1.13 2.91 -0.19 0.31 115.95 121.30 3k8e h TRP 216 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3k8e h TRP 216 Cb 0.98 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 3k8e h TRP 216 CO 0.07 0.25 0.00 0.66 -1.03 0.00 0.00 178.44 178.39 3k8e n TYR 217 N -4.84 0.18 -1.01 2.65 4.01 -0.75 -4.88 117.16 112.51 3k8e n TYR 217 Ca 0.12 -0.07 -0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3k8e n TYR 217 Cb 0.29 -0.06 -0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3k8e n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8e n GLY 218 N 0.43 0.47 3.99 2.72 0.00 0.10 -5.03 105.19 107.87 3k8e n GLY 218 Ca 0.03 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3k8e n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8e s GLU 219 N -0.70 2.28 0.03 1.61 0.41 -0.35 -5.01 118.70 116.97 3k8e s GLU 219 Ca 0.00 -1.01 0.08 0.00 -0.41 0.00 0.00 54.97 53.63 3k8e s GLU 219 Cb 0.00 -2.48 -0.03 0.00 -1.78 0.00 0.00 34.13 29.84 3k8e s GLU 219 CO 0.00 -0.91 -0.22 0.15 -0.49 0.00 0.00 175.26 173.79 3k8e s LYS 220 N -4.83 2.00 -0.20 1.61 1.02 -1.26 -3.96 119.74 114.12 3k8e s LYS 220 Ca 0.60 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 3k8e s LYS 220 Cb -0.08 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3k8e s LYS 220 CO 0.40 0.54 -0.13 0.42 -0.92 0.00 0.00 175.35 175.65 3k8e s ILE 221 N -0.83 2.62 0.10 2.17 1.01 -1.26 -2.54 121.20 122.48 3k8e s ILE 221 Ca 0.13 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 3k8e s ILE 221 Cb -0.10 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 3k8e s ILE 221 CO 0.03 0.49 0.65 -2.28 0.00 0.00 0.00 174.94 173.82 3k8e s HIS 222 N 1.37 3.84 -0.14 3.97 5.65 -0.11 -0.53 115.29 129.34 3k8e s HIS 222 Ca 0.05 1.41 -0.00 0.00 0.25 0.00 0.00 55.06 56.77 3k8e s HIS 222 Cb -0.14 -2.60 0.03 0.00 -1.18 0.00 0.00 32.58 28.69 3k8e s HIS 222 CO -0.09 0.55 -0.10 0.08 -0.65 0.00 0.00 174.74 174.54 3k8e s VAL 223 N -1.09 1.29 0.12 0.89 1.01 -0.23 -0.20 120.40 122.19 3k8e s VAL 223 Ca 0.32 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3k8e s VAL 223 Cb -0.21 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3k8e s VAL 223 CO 0.22 0.34 0.16 0.00 0.00 0.00 0.00 175.10 175.82 3k8e s ALA 224 N 1.59 3.72 -0.26 5.51 0.00 -1.02 -4.73 121.76 126.56 3k8e s ALA 224 Ca 0.04 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 3k8e s ALA 224 Cb -0.13 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3k8e s ALA 224 CO -0.09 0.64 0.97 0.08 0.00 0.00 0.00 175.76 177.35 3k8e s VAL 225 N -1.60 4.70 -0.08 0.00 1.01 -1.26 -1.09 120.40 122.08 3k8e s VAL 225 Ca 0.32 1.76 -0.38 0.00 0.00 0.00 0.00 61.98 63.68 3k8e s VAL 225 Cb -0.11 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.85 3k8e s VAL 225 CO 0.25 -0.22 1.58 0.00 0.00 0.00 0.00 175.10 176.70 3k8e n ALA 226 N 6.34 -0.31 -0.12 5.51 0.00 0.16 -4.84 120.51 127.25 3k8e n ALA 226 Ca 0.09 0.44 0.17 0.00 0.00 0.00 0.00 53.44 54.14 3k8e n ALA 226 Cb 0.47 -2.20 0.55 0.00 0.00 0.00 0.00 19.45 18.27 3k8e n ALA 226 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k8e h GLN 227 N 6.19 0.30 -3.74 0.00 4.15 -1.92 -3.38 115.11 116.72 3k8e h GLN 227 Ca -0.47 -0.02 -0.44 0.00 0.77 0.00 0.00 58.65 58.49 3k8e h GLN 227 Cb 1.32 -0.07 -0.38 0.00 0.21 0.00 0.00 27.48 28.56 3k8e h GLN 227 CO 0.88 0.20 -0.77 -2.00 -1.93 0.00 0.00 178.83 175.21 3k8e s GLU 228 N -5.31 0.65 -0.05 1.69 2.12 -1.26 -5.11 118.70 111.44 3k8e s GLU 228 Ca -0.07 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 3k8e s GLU 228 Cb 0.21 -0.99 -0.06 0.00 0.26 0.00 0.00 34.13 33.55 3k8e s GLU 228 CO 0.76 -0.29 1.71 0.08 -0.54 0.00 0.00 175.26 176.97 3k8e s VAL 229 N 1.91 3.49 0.51 3.70 1.01 -1.26 -4.96 120.40 124.80 3k8e s VAL 229 Ca 0.04 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 3k8e s VAL 229 Cb -0.12 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3k8e s VAL 229 CO -0.05 -0.06 0.79 -2.16 0.00 0.00 0.00 175.10 173.62 3k8e s PRO 230 N 4.16 3.23 0.73 2.72 0.04 -1.26 -5.05 135.00 139.57 3k8e s PRO 230 Ca 0.76 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 3k8e s PRO 230 Cb -0.34 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 31.85 3k8e s PRO 230 CO 0.31 -0.38 1.11 0.20 0.04 0.00 0.00 177.00 178.28 3k8e s GLY 231 N -4.19 1.62 0.67 0.56 0.00 -1.26 -5.04 107.32 99.67 3k8e s GLY 231 Ca 0.49 -0.52 -0.15 0.00 0.00 0.00 0.00 44.72 44.55 3k8e s GLY 231 CO 0.43 -0.11 1.12 -1.59 0.00 0.00 0.00 173.10 172.95 3k8e s THR 232 N -3.40 3.12 0.51 0.90 2.01 -1.26 -4.97 115.64 112.56 3k8e s THR 232 Ca 0.59 0.52 -0.21 0.00 0.31 0.00 0.00 61.69 62.90 3k8e s THR 232 Cb -0.11 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 3k8e s THR 232 CO 0.50 -0.33 1.20 -0.83 -0.69 0.00 0.00 174.62 174.47 3k8e s GLY 233 N -2.54 2.77 -0.67 4.40 0.00 -1.26 -4.94 107.32 105.08 3k8e s GLY 233 Ca 0.68 1.00 -0.27 0.00 0.00 0.00 0.00 44.72 46.13 3k8e s GLY 233 CO 0.43 1.44 1.22 0.14 0.00 0.00 0.00 173.10 176.33 3k8e s VAL 234 N -1.55 3.88 -0.06 1.40 1.01 -0.34 -4.76 120.40 119.98 3k8e s VAL 234 Ca 0.69 0.57 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3k8e s VAL 234 Cb -0.30 -4.82 -0.01 0.00 0.00 0.00 0.00 36.38 31.24 3k8e s VAL 234 CO 0.35 -1.62 0.08 0.47 0.00 0.00 0.00 175.10 174.39 3k8e n ASP 235 N 8.88 0.13 -4.15 3.32 8.00 -1.26 -4.87 116.55 126.60 3k8e n ASP 235 Ca 0.05 -0.57 -0.10 0.00 0.71 0.00 0.00 54.79 54.89 3k8e n ASP 235 Cb 0.49 0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 42.41 3k8e n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8e s THR 236 N -1.03 0.41 0.61 -3.53 -4.23 -1.26 -4.71 115.64 101.89 3k8e s THR 236 Ca 0.00 -1.89 0.32 0.00 -1.18 0.00 0.00 61.69 58.94 3k8e s THR 236 Cb 0.01 -1.76 0.37 0.00 1.34 0.00 0.00 72.50 72.45 3k8e s THR 236 CO 0.04 -0.78 2.17 -0.65 -0.54 0.00 0.00 174.62 174.87 3k8e h PRO 237 N 2.97 0.00 -0.13 3.99 0.11 -1.98 -2.00 132.00 134.97 3k8e h PRO 237 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3k8e h PRO 237 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k8e h PRO 237 CO 0.64 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.13 3k8e h GLU 238 N 0.00 0.39 -0.99 1.05 3.07 -1.96 0.31 114.58 116.44 3k8e h GLU 238 Ca 0.04 -0.24 0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3k8e h GLU 238 Cb 0.29 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.16 3k8e h GLU 238 CO -0.00 0.83 0.64 -0.44 -1.40 0.00 0.00 179.01 178.64 3k8e h ASP 239 N -0.02 1.01 -0.17 1.42 3.32 -1.80 0.15 116.42 120.32 3k8e h ASP 239 Ca 0.01 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3k8e h ASP 239 Cb 0.81 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3k8e h ASP 239 CO 0.05 0.63 -0.17 0.25 -1.72 0.00 0.00 179.24 178.28 3k8e h LEU 240 N 1.13 0.45 -1.22 1.55 5.85 -1.27 0.15 115.31 121.95 3k8e h LEU 240 Ca 0.44 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3k8e h LEU 240 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3k8e h LEU 240 CO -0.18 0.84 0.34 -0.08 -0.34 0.00 0.00 178.44 179.01 3k8e h GLU 241 N 0.08 0.88 0.11 1.25 4.81 -0.64 -1.88 114.58 119.19 3k8e h GLU 241 Ca 0.03 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3k8e h GLU 241 Cb 0.71 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3k8e h GLU 241 CO 0.04 0.65 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.83 3k8e h ARG 242 N 0.88 -0.14 -0.63 1.92 2.43 -0.52 -3.26 114.38 115.06 3k8e h ARG 242 Ca 0.22 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3k8e h ARG 242 Cb 0.04 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3k8e h ARG 242 CO -0.04 0.22 0.32 0.28 -1.51 0.00 0.00 179.97 179.25 3k8e h VAL 243 N -0.53 1.21 -0.42 0.20 2.07 -0.56 -2.76 116.25 115.46 3k8e h VAL 243 Ca -0.02 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3k8e h VAL 243 Cb 0.43 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 3k8e h VAL 243 CO 0.02 0.24 -0.33 0.03 0.02 0.00 0.00 177.57 177.56 3k8e h ARG 244 N 0.87 -0.23 -1.00 1.57 3.08 -1.45 -0.59 114.38 116.63 3k8e h ARG 244 Ca 0.22 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.40 3k8e h ARG 244 Cb 0.10 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 3k8e h ARG 244 CO -0.03 -0.16 0.63 0.00 -1.07 0.00 0.00 179.97 179.35 3k8e h ALA 245 N 0.78 1.53 -0.24 0.04 0.00 -1.54 -3.06 119.26 116.76 3k8e h ALA 245 Ca 0.18 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3k8e h ALA 245 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k8e h ALA 245 CO -0.56 0.23 -0.34 0.93 0.00 0.00 0.00 179.25 179.51 3k8e h GLU 246 N 0.99 0.51 -0.02 0.00 5.08 -0.84 -3.52 114.58 116.78 3k8e h GLU 246 Ca 0.49 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3k8e h GLU 246 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3k8e h GLU 246 CO -0.26 0.79 0.00 -1.33 -1.00 0.00 0.00 179.01 177.21