#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mls s VAL 2 N 0.00 3.65 0.14 6.31 1.01 -1.25 -3.85 120.40 126.42 3mls s VAL 2 Ca 0.00 0.77 -0.25 0.00 0.00 0.00 0.00 61.98 62.50 3mls s VAL 2 Cb 0.00 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.88 3mls s VAL 2 CO 0.00 -0.14 0.83 0.00 0.00 0.00 0.00 175.10 175.79 3mls s GLN 3 N 4.28 1.25 -0.10 2.72 -2.07 -0.74 -5.01 119.66 119.98 3mls s GLN 3 Ca 0.72 -0.61 -0.01 0.00 -1.82 0.00 0.00 55.36 53.64 3mls s GLN 3 Cb -0.30 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.12 3mls s GLN 3 CO 0.28 -0.56 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.12 3mls s LEU 4 N -2.80 1.08 -0.28 2.60 1.43 -1.26 -1.81 118.68 117.64 3mls s LEU 4 Ca 0.08 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3mls s LEU 4 Cb -0.02 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.46 3mls s LEU 4 CO -0.02 -0.13 0.03 -0.69 0.23 0.00 0.00 176.35 175.77 3mls s VAL 5 N 1.72 3.54 0.39 -1.59 1.01 0.37 -4.04 120.40 121.80 3mls s VAL 5 Ca 0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3mls s VAL 5 Cb -0.13 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3mls s VAL 5 CO -0.07 0.11 0.63 -1.61 0.00 0.00 0.00 175.10 174.16 3mls s GLU 6 N 1.43 3.51 0.79 2.72 2.02 -1.26 -0.79 118.70 127.11 3mls s GLU 6 Ca 0.01 -0.14 -0.11 0.00 0.02 0.00 0.00 54.97 54.76 3mls s GLU 6 Cb -0.17 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.56 3mls s GLU 6 CO -0.00 0.02 1.09 -1.54 0.02 0.00 0.00 175.26 174.85 3mls s SER 7 N -4.04 4.43 0.76 -0.19 1.04 -0.55 -4.97 113.70 110.18 3mls s SER 7 Ca 0.43 1.71 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 3mls s SER 7 Cb -0.10 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3mls s SER 7 CO 0.39 -2.07 1.20 -0.83 0.98 0.00 0.00 173.24 172.91 3mls s GLY 8 N -3.47 2.25 0.76 7.32 0.00 -1.26 -4.62 107.32 108.29 3mls s GLY 8 Ca 0.61 0.84 -0.12 0.00 0.00 0.00 0.00 44.72 46.05 3mls s GLY 8 CO 0.56 1.25 1.13 -0.32 0.00 0.00 0.00 173.10 175.72 3mls s GLY 9 N -2.13 1.93 0.09 0.20 0.00 -1.26 -4.80 107.32 101.36 3mls s GLY 9 Ca 0.73 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 3mls s GLY 9 CO 0.48 0.88 0.18 -0.54 0.00 0.00 0.00 173.10 174.11 3mls s GLU 10 N -4.45 0.84 -0.13 2.90 2.02 -0.50 -4.97 118.70 114.41 3mls s GLU 10 Ca 0.66 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.70 3mls s GLU 10 Cb -0.21 0.34 0.01 0.00 0.10 0.00 0.00 34.13 34.37 3mls s GLU 10 CO 0.50 -0.27 -0.18 0.08 0.02 0.00 0.00 175.26 175.42 3mls s VAL 11 N -3.87 1.75 0.18 2.63 1.01 -1.26 -0.92 120.40 119.93 3mls s VAL 11 Ca 0.05 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3mls s VAL 11 Cb 0.05 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3mls s VAL 11 CO -0.11 0.49 -0.13 -0.54 0.00 0.00 0.00 175.10 174.81 3mls s LYS 12 N 1.04 1.23 0.18 2.72 -0.14 -0.05 -4.97 119.74 119.75 3mls s LYS 12 Ca -0.04 -1.52 -0.03 0.00 -1.36 0.00 0.00 55.97 53.02 3mls s LYS 12 Cb -0.15 -0.98 -0.05 0.00 -1.68 0.00 0.00 37.83 34.98 3mls s LYS 12 CO -0.04 0.16 0.40 1.14 -0.76 0.00 0.00 175.35 176.24 3mls s GLN 13 N -3.57 3.58 0.29 1.68 -2.07 -1.25 -1.06 119.66 117.26 3mls s GLN 13 Ca 0.20 -0.17 -0.29 0.00 -1.82 0.00 0.00 55.36 53.27 3mls s GLN 13 Cb -0.00 -2.82 -0.13 0.00 -1.09 0.00 0.00 33.01 28.96 3mls s GLN 13 CO 0.05 0.42 1.28 -2.30 -1.32 0.00 0.00 175.29 173.41 3mls n PRO 14 N -0.30 1.91 0.00 9.60 -0.02 -1.26 -2.19 135.00 142.74 3mls n PRO 14 Ca -0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3mls n PRO 14 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3mls n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mls n GLY 15 N 1.41 0.61 3.91 -1.23 0.00 -0.11 -4.95 105.19 104.83 3mls n GLY 15 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3mls n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mls s GLN 16 N -0.86 3.41 0.38 1.61 -0.21 -0.93 -4.53 119.66 118.53 3mls s GLN 16 Ca 0.00 0.20 -0.01 0.00 0.02 0.00 0.00 55.36 55.57 3mls s GLN 16 Cb 0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 3mls s GLN 16 CO 0.00 -0.35 0.61 -1.54 -2.12 0.00 0.00 175.29 171.89 3mls s SER 17 N -4.16 6.29 -0.10 5.90 1.04 -1.26 -0.08 113.70 121.33 3mls s SER 17 Ca 0.49 0.58 -0.26 0.00 0.48 0.00 0.00 55.95 57.24 3mls s SER 17 Cb -0.10 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 63.99 3mls s SER 17 CO 0.46 -0.37 0.61 -0.22 0.98 0.00 0.00 173.24 174.70 3mls s LEU 18 N -4.43 -0.37 -0.15 2.42 2.96 -0.37 -4.94 118.68 113.80 3mls s LEU 18 Ca 0.42 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 55.08 3mls s LEU 18 Cb -0.10 2.24 0.07 0.00 0.50 0.00 0.00 46.19 48.91 3mls s LEU 18 CO 0.38 -0.47 0.26 -0.75 -1.32 0.00 0.00 176.35 174.45 3mls s LYS 19 N -0.75 0.16 0.18 1.98 2.20 -1.26 -0.13 119.74 122.13 3mls s LYS 19 Ca -0.08 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.20 3mls s LYS 19 Cb -0.02 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3mls s LYS 19 CO 0.06 -0.39 0.09 0.96 -0.36 0.00 0.00 175.35 175.71 3mls s ILE 20 N 2.40 4.16 0.32 5.43 -4.36 -0.48 -4.95 121.20 123.71 3mls s ILE 20 Ca 0.03 -1.29 0.08 0.00 -0.26 0.00 0.00 60.65 59.22 3mls s ILE 20 Cb -0.13 -3.13 -0.06 0.00 1.25 0.00 0.00 42.46 40.38 3mls s ILE 20 CO -0.10 -0.15 -0.07 -0.94 0.24 0.00 0.00 174.94 173.92 3mls s SER 21 N -3.17 3.30 -0.22 4.36 1.04 -1.26 -2.31 113.70 115.43 3mls s SER 21 Ca 0.30 -1.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3mls s SER 21 Cb -0.09 -0.27 0.11 0.00 0.10 0.00 0.00 66.02 65.87 3mls s SER 21 CO 0.22 -0.29 0.29 0.00 0.98 0.00 0.00 173.24 174.44 3mls s LYS 23 N 2.42 4.11 0.13 0.00 2.47 0.03 -0.81 119.74 128.09 3mls s LYS 23 Ca 0.09 0.14 -0.00 0.00 -1.56 0.00 0.00 55.97 54.64 3mls s LYS 23 Cb -0.16 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 3mls s LYS 23 CO -0.14 -0.13 0.30 -1.54 0.16 0.00 0.00 175.35 173.99 3mls s SER 24 N 1.27 6.38 -0.07 1.43 1.04 -0.99 -0.48 113.70 122.28 3mls s SER 24 Ca 0.17 0.33 -0.23 0.00 0.48 0.00 0.00 55.95 56.71 3mls s SER 24 Cb -0.15 -1.98 0.05 0.00 0.10 0.00 0.00 66.02 64.04 3mls s SER 24 CO 0.08 0.07 0.53 -0.94 0.98 0.00 0.00 173.24 173.96 3mls s SER 25 N -2.83 -0.48 0.00 7.02 1.04 -0.75 -4.93 113.70 112.76 3mls s SER 25 Ca 0.37 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3mls s SER 25 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3mls s SER 25 CO 0.28 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3mls n GLY 26 N 1.42 0.71 3.63 7.32 0.00 -1.25 -1.79 105.19 115.22 3mls n GLY 26 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3mls n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mls s TYR 27 N -2.42 -0.16 -0.68 1.61 -0.85 -1.26 -4.47 117.35 109.11 3mls s TYR 27 Ca 0.00 -0.21 -0.26 0.00 -0.52 0.00 0.00 57.07 56.08 3mls s TYR 27 Cb 0.00 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 3mls s TYR 27 CO 0.00 -1.03 1.72 -0.80 -1.52 0.00 0.00 175.55 173.92 3mls s ASN 28 N -2.89 5.50 0.26 -0.18 0.01 -1.26 -4.87 114.94 111.52 3mls s ASN 28 Ca 0.10 -0.00 -0.01 0.00 -0.71 0.00 0.00 52.86 52.23 3mls s ASN 28 Cb -0.03 -2.54 0.50 0.00 0.41 0.00 0.00 41.25 39.59 3mls s ASN 28 CO 0.00 -2.26 1.79 0.15 -1.51 0.00 0.00 177.10 175.28 3mls h PHE 29 N 13.30 0.89 0.00 2.20 3.57 -1.95 -2.83 116.94 132.11 3mls h PHE 29 Ca -0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.32 3mls h PHE 29 Cb 1.12 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3mls h PHE 29 CO 1.09 0.30 0.00 -0.07 -2.23 0.00 0.00 178.31 177.39 3mls h LEU 30 N 0.76 0.00 -2.92 0.59 3.38 -1.93 -3.32 115.31 111.88 3mls h LEU 30 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3mls h LEU 30 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3mls h LEU 30 CO -0.30 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.70 3mls n ASP 31 N -2.69 3.55 -4.04 -0.43 9.92 -1.07 -2.00 116.55 119.79 3mls n ASP 31 Ca 0.01 -2.15 -0.20 0.00 -0.53 0.00 0.00 54.79 51.92 3mls n ASP 31 Cb 0.26 -0.38 -0.15 0.00 -0.64 0.00 0.00 41.12 40.21 3mls n ASP 31 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3mls s SER 32 N -1.07 1.28 0.45 -2.24 0.01 -1.25 -5.06 113.70 105.82 3mls s SER 32 Ca 0.36 -0.20 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 3mls s SER 32 Cb 0.21 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 3mls s SER 32 CO 0.21 0.11 1.20 0.26 0.41 0.00 0.00 173.24 175.43 3mls s TRP 33 N -0.12 2.85 -0.16 2.43 0.52 -1.26 -4.46 118.94 118.75 3mls s TRP 33 Ca 0.02 1.51 -0.00 0.00 0.02 0.00 0.00 56.10 57.65 3mls s TRP 33 Cb -0.06 -3.44 -0.00 0.00 -1.15 0.00 0.00 33.47 28.81 3mls s TRP 33 CO -0.00 -1.65 -0.13 0.42 0.02 0.00 0.00 176.95 175.61 3mls s ILE 34 N -1.48 2.84 0.23 2.03 1.01 0.08 -1.21 121.20 124.71 3mls s ILE 34 Ca 0.63 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.64 3mls s ILE 34 Cb -0.31 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3mls s ILE 34 CO 0.38 0.50 0.09 -0.83 0.00 0.00 0.00 174.94 175.08 3mls s GLY 35 N 0.83 1.58 -0.13 6.18 0.00 -0.17 -0.29 107.32 115.33 3mls s GLY 35 Ca -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.26 3mls s GLY 35 CO 0.00 -1.48 -0.20 -0.98 0.00 0.00 0.00 173.10 170.44 3mls s TRP 36 N -2.05 2.44 -0.09 1.90 0.52 0.32 -1.09 118.94 120.90 3mls s TRP 36 Ca 0.31 -1.18 0.03 0.00 0.02 0.00 0.00 56.10 55.28 3mls s TRP 36 Cb -0.08 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 3mls s TRP 36 CO 0.22 -0.55 -0.19 0.08 0.02 0.00 0.00 176.95 176.53 3mls s VAL 37 N 0.81 1.66 0.19 4.03 1.01 -0.14 0.64 120.40 128.60 3mls s VAL 37 Ca -0.08 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3mls s VAL 37 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3mls s VAL 37 CO -0.00 0.47 0.29 -0.60 0.00 0.00 0.00 175.10 175.25 3mls s ARG 38 N 0.49 3.34 -0.33 2.72 3.52 0.23 -0.60 118.95 128.31 3mls s ARG 38 Ca -0.17 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.73 3mls s ARG 38 Cb -0.17 -2.87 0.15 0.00 -1.56 0.00 0.00 34.95 30.50 3mls s ARG 38 CO 0.07 0.48 0.35 -1.14 -0.81 0.00 0.00 175.30 174.24 3mls s GLN 39 N -3.53 0.50 0.48 5.12 0.74 -0.35 0.42 119.66 123.03 3mls s GLN 39 Ca 0.34 -0.51 -0.24 0.00 0.05 0.00 0.00 55.36 55.00 3mls s GLN 39 Cb -0.10 -0.66 -0.08 0.00 1.10 0.00 0.00 33.01 33.27 3mls s GLN 39 CO 0.28 -1.12 1.29 -0.89 -0.55 0.00 0.00 175.29 174.30 3mls n ILE 40 N 4.74 3.04 -1.62 -2.34 5.41 -1.26 -2.20 119.36 125.13 3mls n ILE 40 Ca 0.05 -0.50 -0.48 0.00 1.00 0.00 0.00 62.75 62.82 3mls n ILE 40 Cb 0.46 -1.59 -0.04 0.00 -0.71 0.00 0.00 39.64 37.76 3mls n ILE 40 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3mls n PRO 41 N -0.37 1.53 0.00 0.38 -0.02 -1.26 -1.39 135.00 133.87 3mls n PRO 41 Ca 0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3mls n PRO 41 Cb 0.42 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3mls n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mls n GLY 42 N 2.39 2.59 1.56 -1.23 0.00 -1.26 -4.98 105.19 104.26 3mls n GLY 42 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3mls n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mls n LYS 43 N -0.18 -0.24 -0.41 1.61 4.76 -0.48 -5.12 118.16 118.10 3mls n LYS 43 Ca 0.00 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 3mls n LYS 43 Cb 0.00 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 3mls n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mls n GLY 44 N 1.63 0.69 3.72 0.72 0.00 -1.26 -4.75 105.19 105.95 3mls n GLY 44 Ca 0.07 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3mls n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mls s LEU 45 N 0.00 4.44 -0.17 0.99 1.43 -1.26 -4.31 118.68 119.79 3mls s LEU 45 Ca 0.00 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3mls s LEU 45 Cb 0.00 -3.50 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3mls s LEU 45 CO 0.00 -0.13 -0.10 -0.70 0.23 0.00 0.00 176.35 175.65 3mls s GLU 46 N 0.39 1.98 0.19 1.70 2.12 0.17 -4.96 118.70 120.29 3mls s GLU 46 Ca 0.47 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 3mls s GLU 46 Cb -0.22 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 31.87 3mls s GLU 46 CO 0.28 -0.37 1.32 -0.46 -0.54 0.00 0.00 175.26 175.49 3mls s TRP 47 N 1.48 3.25 -0.25 5.30 -0.00 -1.26 0.76 118.94 128.22 3mls s TRP 47 Ca 0.01 1.19 -0.09 0.00 -0.00 0.00 0.00 56.10 57.21 3mls s TRP 47 Cb -0.15 -3.61 -0.12 0.00 -0.00 0.00 0.00 33.47 29.59 3mls s TRP 47 CO -0.09 -1.94 -0.29 -0.89 -0.00 0.00 0.00 176.95 173.73 3mls n ILE 48 N 2.76 1.37 0.00 5.86 5.41 0.21 -4.70 119.36 130.27 3mls n ILE 48 Ca 0.07 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.42 3mls n ILE 48 Cb 0.43 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 3mls n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mls n GLY 49 N 1.68 0.32 3.10 7.39 0.00 -1.16 -0.28 105.19 116.25 3mls n GLY 49 Ca -0.47 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 3mls n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mls s ILE 50 N -2.00 0.85 -0.01 -0.61 -0.00 -0.06 -0.52 121.20 118.84 3mls s ILE 50 Ca 0.00 -1.03 0.01 0.00 -0.00 0.00 0.00 60.65 59.64 3mls s ILE 50 Cb 0.00 -0.83 0.01 0.00 -0.00 0.00 0.00 42.46 41.64 3mls s ILE 50 CO 0.00 -0.17 -0.03 -0.51 -0.00 0.00 0.00 174.94 174.23 3mls s ILE 51 N -1.06 0.30 -0.46 8.37 -1.16 0.60 -1.43 121.20 126.37 3mls s ILE 51 Ca -0.03 -0.11 -0.16 0.00 -0.51 0.00 0.00 60.65 59.84 3mls s ILE 51 Cb -0.09 -0.30 0.05 0.00 0.61 0.00 0.00 42.46 42.74 3mls s ILE 51 CO 0.01 0.11 0.40 -0.47 -2.81 0.00 0.00 174.94 172.19 3mls s TYR 52 N 0.26 3.22 0.25 3.50 5.04 0.94 -0.74 117.35 129.81 3mls s TYR 52 Ca -0.02 -0.76 -0.08 0.00 -2.44 0.00 0.00 57.07 53.76 3mls s TYR 52 Cb -0.06 -3.05 0.42 0.00 0.35 0.00 0.00 41.96 39.63 3mls s TYR 52 CO -0.00 -0.76 1.61 -1.35 -1.34 0.00 0.00 175.55 173.70 3mls h PRO 52 N 8.75 0.05 -0.78 4.97 0.11 -1.78 1.13 132.00 144.45 3mls h PRO 52 Ca -0.28 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.00 3mls h PRO 52 Cb 1.11 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 3mls h PRO 52 CO 0.85 0.03 0.26 0.22 -0.21 0.00 0.00 178.00 179.14 3mls h ASP 53 N 0.05 0.15 0.00 -2.05 3.58 -1.69 -3.17 116.42 113.28 3mls h ASP 53 Ca 0.42 0.14 0.00 0.00 0.42 0.00 0.00 57.03 58.01 3mls h ASP 53 Cb 0.71 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.92 3mls h ASP 53 CO -0.75 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 174.71 3mls n ASP 54 N -5.10 0.96 -2.14 2.28 3.85 -1.05 -5.02 116.55 110.34 3mls n ASP 54 Ca 0.16 -1.36 -0.21 0.00 -0.71 0.00 0.00 54.79 52.67 3mls n ASP 54 Cb 0.50 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.23 3mls n ASP 54 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mls n SER 55 N -0.18 -5.77 -4.77 -1.12 7.64 0.39 -4.96 113.62 104.85 3mls n SER 55 Ca 0.00 0.13 -0.40 0.00 1.01 0.00 0.00 58.87 59.62 3mls n SER 55 Cb 0.25 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 58.57 3mls n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mls s ASP 56 N -2.27 6.54 0.05 6.43 2.15 -1.17 -4.70 116.67 123.71 3mls s ASP 56 Ca 0.00 2.57 -0.05 0.00 0.43 0.00 0.00 52.55 55.50 3mls s ASP 56 Cb 0.00 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 3mls s ASP 56 CO 0.00 -0.68 0.09 0.00 -0.17 0.00 0.00 175.17 174.40 3mls s ALA 57 N -1.26 0.04 -0.07 3.66 0.00 -1.26 -0.04 121.76 122.83 3mls s ALA 57 Ca 0.54 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3mls s ALA 57 Cb -0.36 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.10 3mls s ALA 57 CO 0.47 -0.38 0.07 -1.01 0.00 0.00 0.00 175.76 174.91 3mls s HIS 58 N -3.22 0.09 0.22 0.00 3.76 -0.52 -5.00 115.29 110.62 3mls s HIS 58 Ca 0.00 0.12 0.06 0.00 -0.15 0.00 0.00 55.06 55.09 3mls s HIS 58 Cb 0.02 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 3mls s HIS 58 CO -0.07 -0.27 0.23 0.71 -0.85 0.00 0.00 174.74 174.48 3mls s TYR 59 N 2.16 3.23 0.24 1.40 1.51 -1.26 -0.88 117.35 123.75 3mls s TYR 59 Ca 0.04 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 3mls s TYR 59 Cb -0.13 -1.49 -0.09 0.00 -0.11 0.00 0.00 41.96 40.14 3mls s TYR 59 CO -0.05 0.50 1.03 0.45 -1.11 0.00 0.00 175.55 176.37 3mls s SER 60 N -3.65 7.44 0.51 2.29 0.15 0.62 -4.84 113.70 116.20 3mls s SER 60 Ca 0.33 2.09 0.27 0.00 0.70 0.00 0.00 55.95 59.34 3mls s SER 60 Cb -0.09 -2.61 1.49 0.00 -1.71 0.00 0.00 66.02 63.09 3mls s SER 60 CO 0.26 -0.03 1.81 -0.65 1.20 0.00 0.00 173.24 175.84 3mls h PRO 61 N 4.22 0.00 -0.05 5.44 0.11 -1.94 -0.10 132.00 139.69 3mls h PRO 61 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 3mls h PRO 61 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mls h PRO 61 CO 0.68 0.00 -0.87 0.77 -0.21 0.00 0.00 178.00 178.38 3mls h SER 62 N 0.00 0.62 0.12 -2.05 0.02 -1.94 -3.36 113.55 106.96 3mls h SER 62 Ca 0.00 -0.45 -0.35 0.00 -0.84 0.00 0.00 61.79 60.14 3mls h SER 62 Cb 0.35 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3mls h SER 62 CO 0.00 1.24 -2.23 0.49 -1.14 0.00 0.00 176.83 175.19 3mls n PHE 63 N -3.81 0.28 -1.28 3.45 3.72 -0.20 -4.88 117.46 114.74 3mls n PHE 63 Ca -0.07 0.09 -0.59 0.00 -0.05 0.00 0.00 57.45 56.84 3mls n PHE 63 Cb 0.79 -1.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.17 3mls n PHE 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3mls n GLU 64 N -2.89 0.10 0.00 -1.08 4.07 -0.34 -0.29 120.64 120.22 3mls n GLU 64 Ca -0.30 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.83 3mls n GLU 64 Cb 1.12 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 3mls n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mls n GLY 65 N 7.31 2.91 0.10 8.31 0.00 -1.26 -4.87 105.19 117.68 3mls n GLY 65 Ca 0.53 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.58 3mls n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mls n GLN 66 N -1.10 3.14 -3.93 1.61 10.64 0.60 -5.00 117.38 123.33 3mls n GLN 66 Ca 0.00 -0.34 -0.10 0.00 -1.83 0.00 0.00 57.00 54.74 3mls n GLN 66 Cb 0.00 -0.90 -0.11 0.00 -0.86 0.00 0.00 30.24 28.38 3mls n GLN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3mls s VAL 67 N -1.13 0.10 -0.08 -0.39 0.11 -1.11 -4.59 120.40 113.30 3mls s VAL 67 Ca 0.04 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3mls s VAL 67 Cb 0.05 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 3mls s VAL 67 CO 0.17 -0.44 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.57 3mls s THR 68 N -1.39 0.68 0.19 5.04 2.01 -0.51 -4.76 115.64 116.90 3mls s THR 68 Ca -0.15 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 3mls s THR 68 Cb -0.09 -0.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 3mls s THR 68 CO 0.00 0.30 0.59 -0.04 -0.69 0.00 0.00 174.62 174.78 3mls s MET 69 N 1.70 3.97 0.06 4.92 -1.94 -1.26 -1.47 119.30 125.28 3mls s MET 69 Ca 0.02 0.50 -0.26 0.00 -1.71 0.00 0.00 55.69 54.24 3mls s MET 69 Cb -0.13 -2.80 0.09 0.00 2.01 0.00 0.00 34.83 34.00 3mls s MET 69 CO -0.05 0.40 0.76 -1.54 -0.01 0.00 0.00 175.02 174.57 3mls s SER 70 N -1.92 -0.47 0.15 3.03 1.04 -1.01 -4.99 113.70 109.53 3mls s SER 70 Ca 0.42 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.93 3mls s SER 70 Cb -0.14 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3mls s SER 70 CO 0.20 -0.76 -0.06 0.68 0.98 0.00 0.00 173.24 174.28 3mls s VAL 71 N -3.22 0.89 -0.39 5.02 -7.23 -1.26 0.56 120.40 114.77 3mls s VAL 71 Ca 0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 3mls s VAL 71 Cb -0.01 -1.91 0.11 0.00 0.56 0.00 0.00 36.38 35.13 3mls s VAL 71 CO -0.09 -0.68 0.15 -0.62 -0.31 0.00 0.00 175.10 173.55 3mls s ASP 72 N -3.15 4.19 0.13 4.85 3.68 0.63 -4.97 116.67 122.03 3mls s ASP 72 Ca 0.18 -2.30 -0.33 0.00 2.13 0.00 0.00 52.55 52.23 3mls s ASP 72 Cb 0.05 -1.27 -0.11 0.00 -1.45 0.00 0.00 42.92 40.14 3mls s ASP 72 CO 0.01 -0.33 1.55 0.11 0.13 0.00 0.00 175.17 176.63 3mls h LYS 73 N 7.30 -0.42 -0.90 4.34 1.57 -1.91 -0.88 116.57 125.67 3mls h LYS 73 Ca -0.07 0.03 0.37 0.00 -1.87 0.00 0.00 60.65 59.12 3mls h LYS 73 Cb 0.97 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 33.21 3mls h LYS 73 CO 0.53 -0.28 0.46 -1.13 -0.57 0.00 0.00 179.45 178.46 3mls n SER 74 N -5.39 0.29 -0.62 0.86 3.41 -1.26 0.45 113.62 111.36 3mls n SER 74 Ca -0.04 1.50 0.08 0.00 -0.26 0.00 0.00 58.87 60.16 3mls n SER 74 Cb 0.35 -0.72 0.21 0.00 -0.26 0.00 0.00 64.21 63.79 3mls n SER 74 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mls n ILE 75 N -5.06 2.02 -4.26 -1.33 -5.35 -0.78 -5.00 119.36 99.61 3mls n ILE 75 Ca 0.34 -1.87 -0.33 0.00 -0.27 0.00 0.00 62.75 60.62 3mls n ILE 75 Cb 1.14 -0.16 -0.08 0.00 -1.74 0.00 0.00 39.64 38.80 3mls n ILE 75 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3mls n SER 76 N -0.66 0.30 -4.20 7.28 3.41 0.17 -4.80 113.62 115.13 3mls n SER 76 Ca 0.18 -1.26 -0.27 0.00 -0.26 0.00 0.00 58.87 57.26 3mls n SER 76 Cb 0.76 -1.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.00 3mls n SER 76 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mls s THR 77 N -4.26 1.58 -0.07 6.66 2.01 -1.06 -2.34 115.64 118.16 3mls s THR 77 Ca 0.06 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 3mls s THR 77 Cb -0.04 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 3mls s THR 77 CO 0.98 0.45 0.01 0.00 -0.69 0.00 0.00 174.62 175.36 3mls s ALA 78 N -0.33 3.31 0.34 7.40 0.00 0.01 -0.27 121.76 132.23 3mls s ALA 78 Ca 0.04 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3mls s ALA 78 Cb -0.09 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 3mls s ALA 78 CO 0.00 0.60 0.05 0.71 0.00 0.00 0.00 175.76 177.12 3mls s TYR 79 N -0.92 2.07 -0.16 0.00 1.51 0.19 -0.66 117.35 119.38 3mls s TYR 79 Ca 0.14 -0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 55.23 3mls s TYR 79 Cb -0.11 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.43 3mls s TYR 79 CO 0.04 0.09 0.35 -1.17 -1.11 0.00 0.00 175.55 173.75 3mls s LEU 80 N -3.53 -0.16 0.07 -1.29 2.96 -0.98 -2.40 118.68 113.36 3mls s LEU 80 Ca 0.36 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 3mls s LEU 80 Cb 0.09 1.12 -0.03 0.00 0.50 0.00 0.00 46.19 47.86 3mls s LEU 80 CO 0.16 -0.21 -0.08 0.00 -1.32 0.00 0.00 176.35 174.91 3mls s GLN 81 N 1.83 0.67 0.00 1.98 -2.07 -0.54 -1.39 119.66 120.15 3mls s GLN 81 Ca -0.06 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.47 3mls s GLN 81 Cb -0.10 -0.28 0.00 0.00 -1.09 0.00 0.00 33.01 31.54 3mls s GLN 81 CO -0.11 0.03 0.00 0.91 -1.32 0.00 0.00 175.29 174.79 3mls n TRP 82 N 0.81 0.00 -1.42 9.60 8.01 0.81 -1.42 117.44 133.83 3mls n TRP 82 Ca -0.18 0.00 -0.47 0.00 -1.31 0.00 0.00 57.50 55.54 3mls n TRP 82 Cb 0.57 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.74 3mls n TRP 82 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 3mls n THR 82 N 0.00 0.00 -2.18 -0.99 -1.04 -1.26 -1.24 114.28 107.57 3mls n THR 82 Ca 0.00 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 3mls n THR 82 Cb 0.00 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3mls n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3mls s LEU 82 N 8.11 3.65 0.22 -4.42 1.43 0.88 -4.79 118.68 123.76 3mls s LEU 82 Ca 1.28 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 56.44 3mls s LEU 82 Cb -1.27 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 40.34 3mls s LEU 82 CO 0.53 -1.18 -0.06 -1.10 0.23 0.00 0.00 176.35 174.77 3mls s GLN 83 N -3.60 1.34 0.43 1.70 -0.21 -1.26 -0.93 119.66 117.12 3mls s GLN 83 Ca 0.68 -1.64 0.17 0.00 0.02 0.00 0.00 55.36 54.59 3mls s GLN 83 Cb -0.20 -0.84 0.96 0.00 1.00 0.00 0.00 33.01 33.94 3mls s GLN 83 CO 0.30 0.02 1.92 0.00 -2.12 0.00 0.00 175.29 175.41 3mls h ALA 84 N 2.50 1.42 0.00 6.09 0.00 -1.98 -1.41 119.26 125.87 3mls h ALA 84 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3mls h ALA 84 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mls h ALA 84 CO 0.65 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 179.09 3mls n SER 85 N -4.01 0.00 -0.16 0.00 3.41 -1.26 -2.19 113.62 109.41 3mls n SER 85 Ca -0.02 0.37 0.15 0.00 -0.26 0.00 0.00 58.87 59.10 3mls n SER 85 Cb 0.33 -0.44 0.68 0.00 -0.26 0.00 0.00 64.21 64.52 3mls n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mls n ASP 86 N -1.44 0.57 -4.76 4.04 8.00 -0.53 -4.89 116.55 117.53 3mls n ASP 86 Ca 0.06 -0.89 -0.39 0.00 0.71 0.00 0.00 54.79 54.28 3mls n ASP 86 Cb 0.21 -0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3mls n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mls s THR 87 N -2.24 2.24 0.00 -3.53 2.01 -0.93 -4.90 115.64 108.29 3mls s THR 87 Ca 0.36 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3mls s THR 87 Cb 0.21 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.61 3mls s THR 87 CO 0.42 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3mls n GLY 88 N 0.64 1.03 3.59 4.40 0.00 -0.51 -4.62 105.19 109.73 3mls n GLY 88 Ca 0.07 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 3mls n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mls s LYS 89 N -1.52 3.94 -0.15 1.61 2.20 -0.93 -0.92 119.74 123.97 3mls s LYS 89 Ca 0.00 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 3mls s LYS 89 Cb 0.00 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3mls s LYS 89 CO 0.00 -0.02 0.06 0.71 -0.36 0.00 0.00 175.35 175.74 3mls s TYR 90 N 1.24 3.29 0.04 4.03 1.51 0.18 -1.21 117.35 126.44 3mls s TYR 90 Ca 0.06 0.18 0.09 0.00 -1.01 0.00 0.00 57.07 56.39 3mls s TYR 90 Cb -0.14 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 3mls s TYR 90 CO 0.05 0.33 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.51 3mls s PHE 91 N -0.16 2.35 0.03 2.71 0.40 0.23 -0.13 117.98 123.41 3mls s PHE 91 Ca 0.07 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 3mls s PHE 91 Cb -0.12 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 3mls s PHE 91 CO 0.01 0.13 -0.05 0.00 0.70 0.00 0.00 175.22 176.02 3mls s THR 93 N -1.08 0.11 -0.21 0.00 -1.32 -0.25 -1.50 115.64 111.40 3mls s THR 93 Ca 0.19 -0.90 -0.08 0.00 -1.21 0.00 0.00 61.69 59.69 3mls s THR 93 Cb -0.11 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3mls s THR 93 CO 0.10 -0.50 0.10 -0.60 -2.21 0.00 0.00 174.62 171.51 3mls s ARG 94 N -3.19 4.00 -0.67 7.08 3.52 -0.33 -1.00 118.95 128.35 3mls s ARG 94 Ca -0.00 -0.32 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 3mls s ARG 94 Cb 0.02 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 30.13 3mls s ARG 94 CO -0.07 0.18 1.08 -1.17 -0.81 0.00 0.00 175.30 174.50 3mls s LEU 95 N 0.66 3.91 0.30 -0.88 2.96 -0.35 -2.67 118.68 122.61 3mls s LEU 95 Ca 0.05 -0.70 -0.28 0.00 -0.22 0.00 0.00 54.13 52.98 3mls s LEU 95 Cb -0.13 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.93 3mls s LEU 95 CO 0.01 -1.55 1.00 -0.47 -1.32 0.00 0.00 176.35 174.02 3mls s TYR 96 N 4.65 3.68 -0.43 5.38 6.14 0.17 -4.16 117.35 132.78 3mls s TYR 96 Ca 0.28 1.78 -0.13 0.00 0.64 0.00 0.00 57.07 59.64 3mls s TYR 96 Cb -0.13 -3.08 0.05 0.00 0.42 0.00 0.00 41.96 39.22 3mls s TYR 96 CO 0.13 -0.06 0.31 -1.17 0.64 0.00 0.00 175.55 175.40 3mls s LEU 97 N -1.70 5.21 -0.49 6.97 2.96 -1.26 -1.96 118.68 128.41 3mls s LEU 97 Ca 0.47 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 52.98 3mls s LEU 97 Cb -0.25 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.37 3mls s LEU 97 CO 0.32 -0.52 0.77 -0.36 -1.32 0.00 0.00 176.35 175.24 3mls s PHE 98 N 1.59 2.96 -0.07 5.38 0.40 0.19 -4.95 117.98 123.48 3mls s PHE 98 Ca 0.04 -0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.14 3mls s PHE 98 Cb -0.22 -3.69 -0.05 0.00 0.51 0.00 0.00 43.02 39.58 3mls s PHE 98 CO 0.07 -1.07 0.40 -1.21 0.70 0.00 0.00 175.22 174.10 3mls s GLU 99 N 3.25 4.12 0.00 0.44 2.02 -1.26 -0.36 118.70 126.91 3mls s GLU 99 Ca 0.26 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.60 3mls s GLU 99 Cb -0.14 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.76 3mls s GLU 99 CO 0.19 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.30 3mls n GLY 100 N 2.62 -0.83 0.37 -1.39 0.00 -1.26 -4.99 105.19 99.71 3mls n GLY 100 Ca -0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3mls n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls h ALA 100 N 0.00 -0.53 -3.00 4.61 0.00 -2.08 -3.49 119.26 114.77 3mls h ALA 100 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mls h ALA 100 Cb 0.00 1.28 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3mls h ALA 100 CO 0.00 -0.86 0.00 1.04 0.00 0.00 0.00 179.25 179.43 3mls n GLN 100 N -4.96 3.23 0.00 0.00 3.00 -1.26 -5.30 117.38 112.09 3mls n GLN 100 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3mls n GLN 100 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.48 3mls n GLN 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3mls n SER 100 N 0.00 0.00 -4.06 1.08 3.41 0.51 -4.84 113.62 109.72 3mls n SER 100 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3mls n SER 100 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3mls n SER 100 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mls s ASN 100 N 0.00 1.02 0.04 4.04 -0.87 -1.26 0.53 114.94 118.43 3mls s ASN 100 Ca 0.00 -0.44 -0.27 0.00 -1.57 0.00 0.00 52.86 50.58 3mls s ASN 100 Cb 0.00 -0.02 0.09 0.00 -0.02 0.00 0.00 41.25 41.30 3mls s ASN 100 CO 0.00 -0.09 0.75 0.00 -2.57 0.00 0.00 177.10 175.19 3mls s ALA 100 N -0.99 -1.74 -0.74 0.60 0.00 -0.83 -4.97 121.76 113.09 3mls s ALA 100 Ca -0.04 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 3mls s ALA 100 Cb -0.08 0.42 0.08 0.00 0.00 0.00 0.00 23.12 23.55 3mls s ALA 100 CO 0.01 -0.63 1.03 -0.06 0.00 0.00 0.00 175.76 176.11 3mls s PHE 100 N -2.85 2.77 -0.14 0.00 0.08 -1.26 0.45 117.98 117.04 3mls s PHE 100 Ca 0.00 -0.77 0.17 0.00 0.12 0.00 0.00 56.93 56.45 3mls s PHE 100 Cb -0.01 -4.31 -0.12 0.00 -0.57 0.00 0.00 43.02 38.01 3mls s PHE 100 CO -0.06 -1.63 0.86 -0.40 -0.10 0.00 0.00 175.22 173.89 3mls n ASP 101 N 7.49 0.87 -4.41 1.36 5.75 -1.09 -4.90 116.55 121.62 3mls n ASP 101 Ca 0.05 0.38 -0.32 0.00 -0.01 0.00 0.00 54.79 54.88 3mls n ASP 101 Cb 0.47 0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 40.59 3mls n ASP 101 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3mls s LEU 102 N -5.74 2.58 0.04 -2.12 0.20 -1.25 -5.01 118.68 107.38 3mls s LEU 102 Ca -0.03 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.53 3mls s LEU 102 Cb 0.09 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 3mls s LEU 102 CO 0.81 0.29 -0.09 0.26 -0.29 0.00 0.00 176.35 177.33 3mls s TRP 103 N -0.39 0.74 0.65 5.38 0.52 -1.26 -1.19 118.94 123.39 3mls s TRP 103 Ca 0.04 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 3mls s TRP 103 Cb -0.12 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 3mls s TRP 103 CO 0.02 -0.04 1.02 0.20 0.02 0.00 0.00 176.95 178.17 3mls s GLY 104 N -1.26 1.62 0.29 0.98 0.00 -0.56 -4.53 107.32 103.85 3mls s GLY 104 Ca -0.06 -0.39 0.22 0.00 0.00 0.00 0.00 44.72 44.49 3mls s GLY 104 CO 0.01 -0.07 1.68 0.61 0.00 0.00 0.00 173.10 175.32 3mls n GLN 105 N -2.82 0.17 0.00 2.90 0.00 -1.26 -4.81 117.38 111.56 3mls n GLN 105 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 57.00 57.59 3mls n GLN 105 Cb 0.57 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3mls n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mls n GLY 106 N -0.68 -0.38 3.10 2.61 0.00 -1.26 -5.02 105.19 103.57 3mls n GLY 106 Ca 0.00 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 3mls n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mls s THR 107 N -3.03 1.55 -0.14 2.61 2.01 0.82 -4.88 115.64 114.58 3mls s THR 107 Ca 0.00 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 3mls s THR 107 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3mls s THR 107 CO 0.00 0.45 0.39 -0.32 -0.69 0.00 0.00 174.62 174.45 3mls s MET 108 N 0.58 4.30 -0.23 4.92 0.00 -1.26 0.52 119.30 128.13 3mls s MET 108 Ca -0.15 0.29 0.01 0.00 0.00 0.00 0.00 55.69 55.84 3mls s MET 108 Cb -0.17 -3.43 0.06 0.00 0.00 0.00 0.00 34.83 31.29 3mls s MET 108 CO 0.05 0.20 -0.05 0.42 0.00 0.00 0.00 175.02 175.64 3mls s ILE 109 N 0.54 1.50 -0.34 10.11 1.09 -0.09 -1.41 121.20 132.59 3mls s ILE 109 Ca 0.22 -1.18 -0.13 0.00 -1.10 0.00 0.00 60.65 58.46 3mls s ILE 109 Cb -0.14 -1.76 -0.01 0.00 -1.06 0.00 0.00 42.46 39.48 3mls s ILE 109 CO 0.07 -0.09 0.24 -0.22 -0.10 0.00 0.00 174.94 174.84 3mls s LEU 110 N 1.41 4.54 -0.27 2.97 2.96 -0.09 -1.43 118.68 128.78 3mls s LEU 110 Ca -0.05 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 3mls s LEU 110 Cb -0.19 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 3mls s LEU 110 CO -0.06 -0.25 0.05 -0.69 -1.32 0.00 0.00 176.35 174.07 3mls s VAL 111 N 1.71 3.88 0.17 1.68 1.01 -1.26 -0.87 120.40 126.72 3mls s VAL 111 Ca 0.06 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3mls s VAL 111 Cb -0.17 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.36 3mls s VAL 111 CO 0.10 0.22 0.95 -0.94 0.00 0.00 0.00 175.10 175.44 3mls s SER 112 N 1.52 -0.16 0.11 3.32 1.04 -0.22 -4.61 113.70 114.69 3mls s SER 112 Ca 0.04 -0.45 0.24 0.00 0.48 0.00 0.00 55.95 56.26 3mls s SER 112 Cb -0.16 0.51 0.25 0.00 0.10 0.00 0.00 66.02 66.72 3mls s SER 112 CO 0.01 -0.95 1.23 0.77 0.98 0.00 0.00 173.24 175.29 3mls h SER 113 N 2.00 0.00 -1.39 7.02 4.64 -1.90 -3.34 113.55 120.58 3mls h SER 113 Ca -0.24 -0.24 -0.65 0.00 -0.47 0.00 0.00 61.79 60.19 3mls h SER 113 Cb 1.23 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.44 3mls h SER 113 CO 0.26 0.12 -0.53 0.61 -0.87 0.00 0.00 176.83 176.42 3mls n GLY 114 N 1.34 -1.77 3.13 -0.77 0.00 -1.26 -4.97 105.19 100.88 3mls n GLY 114 Ca 0.03 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 3mls n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mls s THR 115 N -1.18 1.59 -0.45 2.61 -1.32 -1.26 -5.05 115.64 110.57 3mls s THR 115 Ca 0.62 -0.76 -0.43 0.00 -1.21 0.00 0.00 61.69 59.92 3mls s THR 115 Cb -0.82 -1.39 -0.18 0.00 -1.51 0.00 0.00 72.50 68.60 3mls s THR 115 CO 0.58 0.46 2.02 0.41 -2.21 0.00 0.00 174.62 175.88 3mls n THR 116 N 3.56 0.06 -3.60 5.08 -1.04 -1.26 -4.70 114.28 112.38 3mls n THR 116 Ca -0.20 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 3mls n THR 116 Cb 0.52 -0.76 -0.07 0.00 -1.82 0.00 0.00 70.33 68.20 3mls n THR 116 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3mls s LYS 117 N 5.32 0.91 0.81 -2.82 -2.85 0.30 -4.95 119.74 116.47 3mls s LYS 117 Ca 1.14 0.33 -0.11 0.00 -1.00 0.00 0.00 55.97 56.32 3mls s LYS 117 Cb -1.35 0.43 0.08 0.00 -2.06 0.00 0.00 37.83 34.93 3mls s LYS 117 CO 0.66 -0.25 1.09 0.20 0.10 0.00 0.00 175.35 177.15 3mls s GLY 118 N -0.85 1.65 0.60 0.59 0.00 -1.26 -1.59 107.32 106.45 3mls s GLY 118 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.65 3mls s GLY 118 CO 0.07 0.46 0.87 2.56 0.00 0.00 0.00 173.10 177.05 3mls s PRO 119 N -4.97 2.55 -0.18 2.90 0.04 -1.26 -4.61 135.00 129.46 3mls s PRO 119 Ca 0.61 -0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.16 3mls s PRO 119 Cb -0.17 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 3mls s PRO 119 CO 0.56 -0.84 0.10 -1.12 0.04 0.00 0.00 177.00 175.74 3mls s SER 120 N -4.41 5.99 -0.26 6.66 0.01 -0.62 -4.90 113.70 116.17 3mls s SER 120 Ca 0.57 0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.96 3mls s SER 120 Cb -0.10 -2.02 -0.00 0.00 0.21 0.00 0.00 66.02 64.10 3mls s SER 120 CO 0.42 0.21 0.05 -0.69 0.41 0.00 0.00 173.24 173.63 3mls s VAL 121 N 0.17 3.89 -0.10 3.43 1.01 -1.26 -1.11 120.40 126.43 3mls s VAL 121 Ca 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3mls s VAL 121 Cb -0.12 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3mls s VAL 121 CO -0.00 0.23 -0.04 -0.36 0.00 0.00 0.00 175.10 174.92 3mls s PHE 122 N 1.52 3.02 0.12 5.22 0.08 -0.13 -4.93 117.98 122.88 3mls s PHE 122 Ca 0.04 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 3mls s PHE 122 Cb -0.16 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3mls s PHE 122 CO 0.01 0.25 0.99 -1.25 -0.10 0.00 0.00 175.22 175.12 3mls s PRO 123 N -0.45 4.68 -0.96 0.24 0.04 -1.26 0.14 135.00 137.44 3mls s PRO 123 Ca 0.07 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 3mls s PRO 123 Cb -0.12 -3.36 0.24 0.00 0.04 0.00 0.00 34.50 31.30 3mls s PRO 123 CO 0.02 0.18 0.91 -0.51 0.04 0.00 0.00 177.00 177.64 3mls s LEU 124 N -0.03 6.34 0.53 -3.56 1.43 0.77 -4.90 118.68 119.26 3mls s LEU 124 Ca 0.48 -3.24 -0.22 0.00 -1.03 0.00 0.00 54.13 50.12 3mls s LEU 124 Cb -0.24 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 3mls s LEU 124 CO 0.31 -0.38 1.15 0.00 0.23 0.00 0.00 176.35 177.65 3mls n ALA 125 N 3.16 0.81 -2.14 4.21 0.00 -1.26 -0.63 120.51 124.66 3mls n ALA 125 Ca 0.19 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 3mls n ALA 125 Cb 0.42 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 3mls n ALA 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mls s PRO 126 N -2.60 4.69 0.12 0.00 0.04 -1.26 -4.76 135.00 131.23 3mls s PRO 126 Ca 0.70 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 3mls s PRO 126 Cb -0.45 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 3mls s PRO 126 CO 0.51 0.21 0.04 0.45 0.04 0.00 0.00 177.00 178.25 3mls s SER 127 N -0.17 0.38 0.45 6.66 0.15 -1.26 -2.40 113.70 117.51 3mls s SER 127 Ca 0.47 -1.18 0.29 0.00 0.70 0.00 0.00 55.95 56.23 3mls s SER 127 Cb -0.25 0.27 1.58 0.00 -1.71 0.00 0.00 66.02 65.91 3mls s SER 127 CO 0.32 -0.70 1.89 0.77 1.20 0.00 0.00 173.24 176.71 3mls h SER 128 N 2.89 0.00 0.45 5.45 4.64 -1.97 0.30 113.55 125.31 3mls h SER 128 Ca -0.35 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.76 3mls h SER 128 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3mls h SER 128 CO 0.60 0.00 -0.90 0.11 -0.87 0.00 0.00 176.83 175.77 3mls h LYS 129 N 0.00 0.31 -0.51 4.77 1.57 -1.99 -3.23 116.57 117.49 3mls h LYS 129 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3mls h LYS 129 Cb 0.07 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3mls h LYS 129 CO 0.00 1.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.78 3mls n SER 130 N -3.71 4.85 -4.46 0.86 3.41 0.96 -4.94 113.62 110.59 3mls n SER 130 Ca -0.05 -2.75 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 3mls n SER 130 Cb 0.81 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 64.04 3mls n SER 130 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mls s THR 131 N -2.40 2.92 -0.19 6.66 -4.23 -0.65 -1.19 115.64 116.57 3mls s THR 131 Ca 0.49 -0.85 -0.09 0.00 -1.18 0.00 0.00 61.69 60.06 3mls s THR 131 Cb 0.36 -2.15 0.07 0.00 1.34 0.00 0.00 72.50 72.11 3mls s THR 131 CO 0.17 0.54 0.45 -0.55 -0.54 0.00 0.00 174.62 174.69 3mls s SER 132 N -0.87 -0.52 -1.22 3.99 0.15 0.20 -4.92 113.70 110.52 3mls s SER 132 Ca 0.12 1.00 -0.21 0.00 0.70 0.00 0.00 55.95 57.56 3mls s SER 132 Cb -0.11 1.01 0.01 0.00 -1.71 0.00 0.00 66.02 65.22 3mls s SER 132 CO 0.01 -0.21 0.68 0.61 1.20 0.00 0.00 173.24 175.53 3mls n GLY 133 N 4.56 -0.80 3.27 9.45 0.00 -1.26 -1.44 105.19 118.98 3mls n GLY 133 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3mls n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mls n GLY 134 N -1.88 2.44 3.39 -0.02 0.00 -1.26 -4.99 105.19 102.87 3mls n GLY 134 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3mls n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mls s THR 135 N -2.79 3.13 0.13 2.61 -1.32 -0.52 0.51 115.64 117.39 3mls s THR 135 Ca 0.00 -0.64 0.08 0.00 -1.21 0.00 0.00 61.69 59.93 3mls s THR 135 Cb 0.00 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 3mls s THR 135 CO 0.00 0.52 -0.12 0.00 -2.21 0.00 0.00 174.62 172.81 3mls s ALA 136 N 0.31 2.88 -0.10 11.08 0.00 0.12 0.62 121.76 136.66 3mls s ALA 136 Ca -0.10 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.56 3mls s ALA 136 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3mls s ALA 136 CO 0.05 0.58 -0.24 0.00 0.00 0.00 0.00 175.76 176.16 3mls s ALA 137 N -1.34 2.19 0.08 0.00 0.00 -0.33 0.56 121.76 122.92 3mls s ALA 137 Ca 0.21 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3mls s ALA 137 Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3mls s ALA 137 CO 0.13 0.26 -0.10 -0.48 0.00 0.00 0.00 175.76 175.57 3mls s LEU 138 N 0.39 2.36 0.00 0.00 0.05 -0.64 -4.18 118.68 116.67 3mls s LEU 138 Ca -0.18 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 53.26 3mls s LEU 138 Cb -0.18 -0.32 0.00 0.00 -2.05 0.00 0.00 46.19 43.64 3mls s LEU 138 CO 0.08 -0.22 0.00 0.61 -0.55 0.00 0.00 176.35 176.27 3mls n GLY 139 N 0.81 3.39 2.86 -3.48 0.00 0.20 -0.29 105.19 108.67 3mls n GLY 139 Ca -0.18 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3mls n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls s LEU 141 N 0.39 4.06 -0.61 0.00 2.96 0.12 -2.09 118.68 123.52 3mls s LEU 141 Ca -0.03 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.14 3mls s LEU 141 Cb -0.05 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.83 3mls s LEU 141 CO -0.01 -0.20 0.56 -0.69 -1.32 0.00 0.00 176.35 174.68 3mls s VAL 142 N 1.58 5.26 0.09 1.68 1.01 0.21 -0.96 120.40 129.27 3mls s VAL 142 Ca 0.04 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 3mls s VAL 142 Cb -0.17 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3mls s VAL 142 CO 0.05 -0.90 0.26 -0.54 0.00 0.00 0.00 175.10 173.97 3mls s LYS 143 N 1.23 3.48 -0.63 2.72 1.02 -0.27 -0.75 119.74 126.53 3mls s LYS 143 Ca 0.07 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 3mls s LYS 143 Cb -0.25 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3mls s LYS 143 CO -0.00 0.56 0.55 -0.25 -0.92 0.00 0.00 175.35 175.29 3mls n ASP 144 N 0.13 -4.39 -4.44 2.83 8.00 -0.18 -1.59 116.55 116.91 3mls n ASP 144 Ca -0.05 -0.66 -0.22 0.00 0.71 0.00 0.00 54.79 54.57 3mls n ASP 144 Cb 0.52 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.11 3mls n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mls s TYR 145 N -2.41 2.06 -0.29 1.24 -0.85 0.08 -4.29 117.35 112.89 3mls s TYR 145 Ca 0.10 -0.57 -0.19 0.00 -0.52 0.00 0.00 57.07 55.89 3mls s TYR 145 Cb -0.01 -1.09 0.13 0.00 0.38 0.00 0.00 41.96 41.37 3mls s TYR 145 CO 0.79 0.43 0.97 0.12 -1.52 0.00 0.00 175.55 176.34 3mls s PHE 146 N -2.84 -0.58 0.00 -3.49 5.36 -0.62 -0.53 117.98 115.29 3mls s PHE 146 Ca 0.29 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3mls s PHE 146 Cb 0.01 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 3mls s PHE 146 CO 0.12 -0.28 0.00 -0.35 -1.46 0.00 0.00 175.22 173.25 3mls n PRO 147 N 3.20 2.86 -1.48 10.12 -0.04 -1.26 -0.54 135.00 147.86 3mls n PRO 147 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 3mls n PRO 147 Cb 0.57 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 3mls n PRO 147 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3mls s GLU 148 N 2.78 2.56 0.38 0.54 2.56 -1.26 -4.79 118.70 121.47 3mls s GLU 148 Ca 0.00 1.19 0.08 0.00 0.00 0.00 0.00 54.97 56.24 3mls s GLU 148 Cb 0.00 -1.93 -0.05 0.00 2.00 0.00 0.00 34.13 34.15 3mls s GLU 148 CO 0.00 -1.41 0.17 -1.25 -0.56 0.00 0.00 175.26 172.20 3mls s PRO 149 N -4.67 2.28 0.02 4.30 0.04 -1.26 -4.92 135.00 130.80 3mls s PRO 149 Ca 0.62 -1.71 0.04 0.00 0.04 0.00 0.00 61.00 60.00 3mls s PRO 149 Cb -0.17 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3mls s PRO 149 CO 0.51 -0.02 -0.13 0.14 0.04 0.00 0.00 177.00 177.53 3mls s VAL 150 N -2.52 1.06 0.10 -0.36 -7.23 -1.26 -4.41 120.40 105.78 3mls s VAL 150 Ca 0.40 -0.86 0.07 0.00 -1.81 0.00 0.00 61.98 59.78 3mls s VAL 150 Cb 0.01 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 3mls s VAL 150 CO 0.23 0.08 -0.12 0.42 -0.31 0.00 0.00 175.10 175.40 3mls s THR 151 N -0.69 3.24 -0.03 5.32 -4.23 -0.11 -4.96 115.64 114.18 3mls s THR 151 Ca 0.02 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3mls s THR 151 Cb -0.07 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.29 3mls s THR 151 CO 0.01 0.12 0.01 -0.69 -0.54 0.00 0.00 174.62 173.53 3mls s VAL 152 N -1.19 0.12 0.29 2.29 1.01 -1.26 -1.27 120.40 120.40 3mls s VAL 152 Ca 0.20 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3mls s VAL 152 Cb -0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 3mls s VAL 152 CO 0.13 0.14 0.08 -0.94 0.00 0.00 0.00 175.10 174.51 3mls s SER 153 N 1.16 1.77 0.02 3.32 1.04 -0.77 -4.96 113.70 115.28 3mls s SER 153 Ca -0.08 -1.39 0.08 0.00 0.48 0.00 0.00 55.95 55.04 3mls s SER 153 Cb -0.13 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 3mls s SER 153 CO -0.02 -0.68 -0.24 0.26 0.98 0.00 0.00 173.24 173.53 3mls s TRP 154 N -3.53 2.16 -1.54 5.02 0.52 -1.26 -0.27 118.94 120.04 3mls s TRP 154 Ca 0.37 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 3mls s TRP 154 Cb 0.08 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 31.08 3mls s TRP 154 CO 0.15 0.06 0.08 0.09 0.02 0.00 0.00 176.95 177.35 3mls n ASN 155 N 2.04 0.67 -3.94 2.95 4.13 0.64 -1.06 115.26 120.69 3mls n ASN 155 Ca -0.17 -1.24 -0.26 0.00 1.68 0.00 0.00 54.58 54.60 3mls n ASN 155 Cb 0.52 -1.82 -0.02 0.00 -1.54 0.00 0.00 39.78 36.93 3mls n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mls n SER 156 N -2.89 -0.57 0.00 6.41 7.64 -1.26 -0.87 113.62 122.08 3mls n SER 156 Ca -0.31 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.56 3mls n SER 156 Cb 0.69 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.82 3mls n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mls n GLY 157 N -1.97 2.81 0.05 0.23 0.00 -0.23 -4.87 105.19 101.22 3mls n GLY 157 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 3mls n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls h ALA 158 N 0.00 0.01 -2.28 4.61 0.00 -0.88 -3.40 119.26 117.32 3mls h ALA 158 Ca 0.00 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 3mls h ALA 158 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3mls h ALA 158 CO 0.00 -0.35 0.49 -1.17 0.00 0.00 0.00 179.25 178.22 3mls s LEU 159 N -9.65 4.11 0.00 0.00 2.96 -1.09 -4.85 118.68 110.15 3mls s LEU 159 Ca -0.15 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 3mls s LEU 159 Cb 0.04 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.48 3mls s LEU 159 CO 0.67 -0.51 0.00 1.07 -1.32 0.00 0.00 176.35 176.26 3mls n THR 160 N 5.14 0.00 -3.24 3.68 5.66 -1.26 -4.11 114.28 120.15 3mls n THR 160 Ca 0.06 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.70 3mls n THR 160 Cb 0.48 -0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.02 3mls n THR 160 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3mls s SER 161 N -1.38 6.95 0.00 1.09 0.01 -1.26 -3.90 113.70 115.21 3mls s SER 161 Ca 0.00 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.50 3mls s SER 161 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3mls s SER 161 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3mls n GLY 162 N 0.86 0.55 3.62 3.44 0.00 -1.26 -4.77 105.19 107.62 3mls n GLY 162 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3mls n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mls s VAL 163 N -2.32 4.81 -0.29 1.61 1.01 -1.25 -2.51 120.40 121.45 3mls s VAL 163 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.19 3mls s VAL 163 Cb 0.00 -4.13 0.09 0.00 0.00 0.00 0.00 36.38 32.34 3mls s VAL 163 CO 0.00 -0.22 0.04 -2.28 0.00 0.00 0.00 175.10 172.65 3mls s HIS 164 N 2.91 2.45 -0.28 5.22 2.46 -0.14 -5.02 115.29 122.88 3mls s HIS 164 Ca 0.32 -2.07 -0.15 0.00 0.47 0.00 0.00 55.06 53.63 3mls s HIS 164 Cb -0.14 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 3mls s HIS 164 CO 0.12 -0.86 0.37 0.99 -2.47 0.00 0.00 174.74 172.89 3mls s THR 165 N 1.37 5.17 0.27 0.89 2.01 -1.26 -1.82 115.64 122.26 3mls s THR 165 Ca 0.06 0.49 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 3mls s THR 165 Cb -0.18 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 3mls s THR 165 CO -0.15 0.11 0.83 -0.36 -0.69 0.00 0.00 174.62 174.36 3mls s PHE 166 N 2.07 3.66 0.47 4.92 0.40 0.19 -4.99 117.98 124.71 3mls s PHE 166 Ca 0.14 1.57 -0.24 0.00 -0.60 0.00 0.00 56.93 57.80 3mls s PHE 166 Cb -0.16 -2.76 -0.07 0.00 0.51 0.00 0.00 43.02 40.54 3mls s PHE 166 CO 0.10 0.27 1.39 -2.14 0.70 0.00 0.00 175.22 175.54 3mls s PRO 167 N -2.02 3.58 0.95 0.24 0.02 -1.26 -4.16 135.00 132.34 3mls s PRO 167 Ca 0.46 2.32 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 3mls s PRO 167 Cb -0.17 -2.56 0.16 0.00 0.02 0.00 0.00 34.50 31.95 3mls s PRO 167 CO 0.22 -0.87 1.09 0.00 -0.33 0.00 0.00 177.00 177.11 3mls s ALA 168 N -1.25 1.21 -0.13 -1.55 0.00 -1.26 -4.81 121.76 113.97 3mls s ALA 168 Ca 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3mls s ALA 168 Cb -0.42 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3mls s ALA 168 CO 0.52 -2.63 -0.16 0.14 0.00 0.00 0.00 175.76 173.64 3mls s VAL 169 N -2.91 2.76 -0.43 0.00 -7.23 0.41 -4.95 120.40 108.06 3mls s VAL 169 Ca 0.64 -0.76 -0.22 0.00 -1.81 0.00 0.00 61.98 59.84 3mls s VAL 169 Cb -0.19 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.63 3mls s VAL 169 CO 0.58 0.53 0.71 -0.22 -0.31 0.00 0.00 175.10 176.38 3mls s LEU 170 N 0.50 4.35 0.82 1.32 2.96 -1.26 -2.26 118.68 125.10 3mls s LEU 170 Ca -0.11 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 3mls s LEU 170 Cb -0.16 -2.85 0.13 0.00 0.50 0.00 0.00 46.19 43.81 3mls s LEU 170 CO 0.05 -0.81 1.14 0.00 -1.32 0.00 0.00 176.35 175.41 3mls s GLN 171 N 3.01 1.46 0.34 1.98 -2.07 -0.30 -4.91 119.66 119.18 3mls s GLN 171 Ca 0.26 -0.49 0.09 0.00 -1.82 0.00 0.00 55.36 53.41 3mls s GLN 171 Cb -0.13 -2.07 0.82 0.00 -1.09 0.00 0.00 33.01 30.54 3mls s GLN 171 CO 0.20 -1.77 1.83 0.66 -1.32 0.00 0.00 175.29 174.89 3mls h SER 172 N -1.02 0.67 0.29 12.60 4.64 -1.96 0.13 113.55 128.90 3mls h SER 172 Ca -0.43 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3mls h SER 172 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mls h SER 172 CO 0.47 0.29 0.00 -1.54 -0.87 0.00 0.00 176.83 175.19 3mls n SER 173 N -4.62 0.00 0.00 4.97 3.41 -1.26 -4.84 113.62 111.28 3mls n SER 173 Ca 0.20 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3mls n SER 173 Cb 0.54 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3mls n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mls n GLY 174 N -0.00 1.43 3.92 5.00 0.00 0.45 -4.60 105.19 111.39 3mls n GLY 174 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3mls n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mls s LEU 175 N 0.00 4.00 0.18 0.99 1.43 -1.26 -4.76 118.68 119.26 3mls s LEU 175 Ca 0.00 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3mls s LEU 175 Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3mls s LEU 175 CO 0.00 -0.27 0.34 -0.31 0.23 0.00 0.00 176.35 176.34 3mls s TYR 176 N -2.24 3.48 -0.20 0.29 1.51 0.32 -1.14 117.35 119.36 3mls s TYR 176 Ca 0.42 0.18 -0.18 0.00 -1.01 0.00 0.00 57.07 56.48 3mls s TYR 176 Cb -0.10 -1.72 0.05 0.00 -0.11 0.00 0.00 41.96 40.08 3mls s TYR 176 CO 0.34 0.45 0.53 -1.12 -1.11 0.00 0.00 175.55 174.64 3mls s SER 177 N -3.33 -0.55 0.26 2.29 0.01 -0.96 -0.74 113.70 110.68 3mls s SER 177 Ca 0.36 1.06 -0.09 0.00 1.31 0.00 0.00 55.95 58.59 3mls s SER 177 Cb -0.11 1.07 -0.01 0.00 0.21 0.00 0.00 66.02 67.19 3mls s SER 177 CO 0.29 -0.18 0.42 -1.48 0.41 0.00 0.00 173.24 172.69 3mls s LEU 178 N 0.32 0.58 0.06 2.44 0.05 0.07 -0.44 118.68 121.76 3mls s LEU 178 Ca -0.00 -1.11 0.03 0.00 0.05 0.00 0.00 54.13 53.10 3mls s LEU 178 Cb -0.04 1.48 -0.03 0.00 -2.05 0.00 0.00 46.19 45.55 3mls s LEU 178 CO 0.00 -1.12 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.15 3mls s SER 179 N -3.08 1.14 -0.15 1.48 0.01 -1.26 -0.62 113.70 111.22 3mls s SER 179 Ca 0.27 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 3mls s SER 179 Cb 0.01 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.31 3mls s SER 179 CO 0.11 -0.23 -0.01 -0.55 0.41 0.00 0.00 173.24 172.98 3mls s SER 180 N -1.96 2.53 0.16 2.44 0.15 -0.89 -0.63 113.70 115.49 3mls s SER 180 Ca -0.03 -0.57 0.06 0.00 0.70 0.00 0.00 55.95 56.12 3mls s SER 180 Cb -0.07 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 3mls s SER 180 CO -0.00 -0.23 0.03 0.54 1.20 0.00 0.00 173.24 174.78 3mls s VAL 181 N 1.81 3.93 -0.06 4.45 0.11 -0.76 -1.42 120.40 128.46 3mls s VAL 181 Ca 0.01 -1.29 -0.02 0.00 -2.93 0.00 0.00 61.98 57.75 3mls s VAL 181 Cb -0.15 -2.97 0.04 0.00 -1.53 0.00 0.00 36.38 31.77 3mls s VAL 181 CO -0.07 -0.08 0.12 -0.69 -3.33 0.00 0.00 175.10 171.05 3mls s VAL 182 N -1.67 -0.14 -0.05 2.04 1.01 0.60 -0.97 120.40 121.21 3mls s VAL 182 Ca 0.28 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 3mls s VAL 182 Cb -0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3mls s VAL 182 CO 0.20 0.12 0.55 0.42 0.00 0.00 0.00 175.10 176.39 3mls s THR 183 N 1.73 5.04 0.18 3.92 -4.23 -1.05 -1.61 115.64 119.61 3mls s THR 183 Ca -0.02 1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 3mls s THR 183 Cb -0.12 -3.89 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 3mls s THR 183 CO -0.05 0.37 0.19 0.68 -0.54 0.00 0.00 174.62 175.27 3mls s VAL 184 N 0.17 0.04 0.01 2.29 -7.23 0.19 -4.69 120.40 111.19 3mls s VAL 184 Ca 0.30 -1.76 -0.33 0.00 -1.81 0.00 0.00 61.98 58.38 3mls s VAL 184 Cb -0.17 -2.18 -0.11 0.00 0.56 0.00 0.00 36.38 34.48 3mls s VAL 184 CO 0.14 -0.20 1.86 -2.65 -0.31 0.00 0.00 175.10 173.94 3mls n PRO 185 N -0.22 2.44 -0.02 4.82 -0.02 -1.26 0.11 135.00 140.85 3mls n PRO 185 Ca -0.03 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.33 3mls n PRO 185 Cb 0.64 -2.76 0.25 0.00 -0.02 0.00 0.00 33.50 31.60 3mls n PRO 185 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3mls h SER 186 N 8.96 0.55 0.40 2.55 0.87 -0.25 -2.25 113.55 124.38 3mls h SER 186 Ca -0.48 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 3mls h SER 186 Cb 1.25 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3mls h SER 186 CO 0.94 0.66 0.00 -1.54 -0.53 0.00 0.00 176.83 176.36 3mls n SER 187 N -4.23 0.62 0.14 6.23 3.41 -1.26 -2.45 113.62 116.08 3mls n SER 187 Ca 0.01 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3mls n SER 187 Cb 0.29 -0.82 0.06 0.00 -0.26 0.00 0.00 64.21 63.48 3mls n SER 187 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mls h SER 188 N 0.00 0.00 -1.41 4.04 0.02 -1.78 -3.39 113.55 111.03 3mls h SER 188 Ca 0.00 0.00 0.47 0.00 -0.84 0.00 0.00 61.79 61.42 3mls h SER 188 Cb 0.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.61 3mls h SER 188 CO 0.00 0.07 0.92 -0.07 -1.14 0.00 0.00 176.83 176.61 3mls h LEU 189 N 0.00 0.20 -0.29 5.07 4.07 -1.57 0.96 115.31 123.75 3mls h LEU 189 Ca -0.01 0.14 -0.19 0.00 0.08 0.00 0.00 57.88 57.90 3mls h LEU 189 Cb 1.07 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 3mls h LEU 189 CO 0.01 -0.21 -0.87 1.23 -1.08 0.00 0.00 178.44 177.52 3mls h GLY 190 N 0.03 0.09 0.00 0.83 0.00 -1.83 -3.36 103.07 98.82 3mls h GLY 190 Ca 0.86 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 48.03 3mls h GLY 190 CO -0.41 0.14 -1.00 2.41 0.00 0.00 0.00 176.54 177.68 3mls n THR 191 N -3.58 0.00 -3.89 4.70 -1.04 0.12 -4.99 114.28 105.60 3mls n THR 191 Ca -0.02 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.05 61.39 3mls n THR 191 Cb 0.81 0.67 -0.07 0.00 -1.82 0.00 0.00 70.33 69.92 3mls n THR 191 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3mls s GLN 192 N -2.47 3.69 -0.06 -2.82 2.00 0.04 -5.08 119.66 114.95 3mls s GLN 192 Ca 0.01 -0.20 -0.15 0.00 -2.00 0.00 0.00 55.36 53.01 3mls s GLN 192 Cb 0.09 -3.23 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 3mls s GLN 192 CO 0.52 0.58 0.40 0.99 -0.50 0.00 0.00 175.29 177.28 3mls s THR 193 N -0.45 5.13 -0.15 -0.34 2.01 -1.26 -4.80 115.64 115.78 3mls s THR 193 Ca 0.11 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.92 3mls s THR 193 Cb -0.12 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.70 3mls s THR 193 CO 0.02 0.48 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.00 3mls s TYR 194 N -0.35 2.04 -0.09 4.92 2.02 -1.26 -4.97 117.35 119.66 3mls s TYR 194 Ca 0.23 -1.16 0.01 0.00 -0.37 0.00 0.00 57.07 55.77 3mls s TYR 194 Cb -0.15 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3mls s TYR 194 CO 0.11 -0.65 -0.09 0.42 -1.57 0.00 0.00 175.55 173.77 3mls s ILE 195 N 1.53 0.98 -0.09 2.71 1.01 -1.26 1.00 121.20 127.08 3mls s ILE 195 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 3mls s ILE 195 Cb -0.13 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3mls s ILE 195 CO -0.10 0.34 0.30 0.00 0.00 0.00 0.00 174.94 175.48 3mls s ASN 197 N -0.46 5.54 -0.17 0.00 -0.87 0.63 -1.55 114.94 118.06 3mls s ASN 197 Ca 0.19 -1.17 -0.08 0.00 -1.57 0.00 0.00 52.86 50.23 3mls s ASN 197 Cb -0.14 -1.95 -0.04 0.00 -0.02 0.00 0.00 41.25 39.10 3mls s ASN 197 CO 0.07 -0.39 0.09 -0.69 -2.57 0.00 0.00 177.10 173.61 3mls s VAL 198 N 1.46 5.08 -0.07 1.60 1.01 0.35 -1.85 120.40 127.98 3mls s VAL 198 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3mls s VAL 198 Cb -0.20 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.92 3mls s VAL 198 CO 0.04 0.50 -0.11 0.21 0.00 0.00 0.00 175.10 175.74 3mls s ASN 199 N -0.04 1.79 -0.50 3.32 2.47 -0.39 -0.99 114.94 120.60 3mls s ASN 199 Ca 0.08 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.10 3mls s ASN 199 Cb -0.12 -0.81 0.16 0.00 -1.45 0.00 0.00 41.25 39.03 3mls s ASN 199 CO 0.00 0.00 0.34 -2.28 -3.72 0.00 0.00 177.10 171.45 3mls s HIS 200 N 0.85 2.13 0.27 0.43 5.65 0.48 -0.94 115.29 124.16 3mls s HIS 200 Ca -0.11 -2.63 -0.00 0.00 0.25 0.00 0.00 55.06 52.56 3mls s HIS 200 Cb -0.15 -1.80 0.55 0.00 -1.18 0.00 0.00 32.58 30.00 3mls s HIS 200 CO 0.02 -0.73 1.78 0.87 -0.65 0.00 0.00 174.74 176.03 3mls h LYS 201 N 6.03 0.71 -1.24 2.88 1.57 -1.80 -1.66 116.57 123.06 3mls h LYS 201 Ca 0.12 -0.04 0.36 0.00 -1.87 0.00 0.00 60.65 59.22 3mls h LYS 201 Cb 0.87 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 3mls h LYS 201 CO 0.51 0.47 0.84 -1.35 -0.57 0.00 0.00 179.45 179.35 3mls h PRO 202 N 0.74 0.15 -0.10 3.15 0.11 -1.91 0.19 132.00 134.32 3mls h PRO 202 Ca 0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3mls h PRO 202 Cb 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3mls h PRO 202 CO -0.33 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.43 3mls n SER 203 N -4.43 2.53 -3.79 -2.05 3.41 -0.99 -4.95 113.62 103.36 3mls n SER 203 Ca 0.30 -2.43 -0.23 0.00 -0.26 0.00 0.00 58.87 56.25 3mls n SER 203 Cb 1.23 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.96 3mls n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mls n ASN 204 N -0.55 -1.15 -4.17 4.04 3.02 0.66 -4.77 115.26 112.33 3mls n ASN 204 Ca 0.09 -0.87 -0.34 0.00 -0.03 0.00 0.00 54.58 53.43 3mls n ASN 204 Cb 0.48 -3.74 -0.14 0.00 -0.61 0.00 0.00 39.78 35.76 3mls n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mls s THR 205 N -3.73 2.75 -0.07 3.41 2.01 -0.67 -5.00 115.64 114.35 3mls s THR 205 Ca 0.05 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.90 3mls s THR 205 Cb -0.03 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 3mls s THR 205 CO 0.84 0.13 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.20 3mls s LYS 206 N 1.28 2.76 -0.18 4.92 3.01 -1.26 -0.39 119.74 129.87 3mls s LYS 206 Ca -0.02 -0.72 -0.15 0.00 -1.01 0.00 0.00 55.97 54.07 3mls s LYS 206 Cb -0.17 -2.42 0.05 0.00 -1.01 0.00 0.00 37.83 34.27 3mls s LYS 206 CO -0.04 0.48 0.48 0.54 0.51 0.00 0.00 175.35 177.31 3mls s VAL 207 N -0.36 -0.00 -0.12 3.17 0.11 -0.16 -5.01 120.40 118.02 3mls s VAL 207 Ca 0.03 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 3mls s VAL 207 Cb -0.12 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3mls s VAL 207 CO 0.02 0.01 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.84 3mls s ASP 208 N 0.49 3.88 -0.16 3.54 1.01 -1.26 -0.49 116.67 123.69 3mls s ASP 208 Ca -0.02 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.89 3mls s ASP 208 Cb -0.04 -1.57 0.02 0.00 1.01 0.00 0.00 42.92 42.34 3mls s ASP 208 CO -0.02 0.17 -0.16 -0.75 0.21 0.00 0.00 175.17 174.61 3mls s LYS 209 N 0.33 2.52 -0.08 8.23 2.47 -0.59 -4.97 119.74 127.65 3mls s LYS 209 Ca -0.12 -0.65 -0.30 0.00 -1.56 0.00 0.00 55.97 53.35 3mls s LYS 209 Cb -0.16 -2.24 -0.02 0.00 -1.46 0.00 0.00 37.83 33.95 3mls s LYS 209 CO 0.06 -0.22 1.03 0.21 0.16 0.00 0.00 175.35 176.59 3mls s LYS 210 N 1.39 4.44 -0.63 4.03 2.20 -1.26 -1.69 119.74 128.22 3mls s LYS 210 Ca 0.04 1.44 -0.17 0.00 -0.36 0.00 0.00 55.97 56.92 3mls s LYS 210 Cb -0.13 -3.52 0.14 0.00 -1.51 0.00 0.00 37.83 32.80 3mls s LYS 210 CO -0.11 -0.28 0.65 0.08 -0.36 0.00 0.00 175.35 175.33 3mls s VAL 211 N 1.83 5.13 0.22 4.02 1.01 0.28 -4.91 120.40 127.98 3mls s VAL 211 Ca 0.50 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3mls s VAL 211 Cb -0.20 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 3mls s VAL 211 CO 0.20 -1.01 0.95 -0.70 0.00 0.00 0.00 175.10 174.54 3mls s GLU 212 N 1.75 4.83 0.28 2.72 2.56 -1.26 -4.42 118.70 125.16 3mls s GLU 212 Ca 0.10 1.49 -0.29 0.00 0.00 0.00 0.00 54.97 56.26 3mls s GLU 212 Cb -0.23 -3.29 -0.10 0.00 2.00 0.00 0.00 34.13 32.51 3mls s GLU 212 CO 0.01 0.47 1.25 -1.25 -0.56 0.00 0.00 175.26 175.19 3mls s PRO 213 N -1.01 4.44 -0.05 4.30 0.04 -1.26 -4.43 135.00 137.03 3mls s PRO 213 Ca 0.42 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 3mls s PRO 213 Cb -0.26 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 3mls s PRO 213 CO 0.32 -0.10 0.16 1.63 0.04 0.00 0.00 177.00 179.04 3mls n LYS 214 N 1.46 0.00 0.00 4.56 4.76 -1.01 -4.92 118.16 123.01 3mls n LYS 214 Ca 0.02 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.61 3mls n LYS 214 Cb 0.43 -0.16 0.87 0.00 -1.84 0.00 0.00 35.03 34.34 3mls n LYS 214 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48