#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0t s VAL 2 N 0.00 4.17 -0.05 -0.39 1.01 -1.26 -4.41 120.40 119.47 3h0t s VAL 2 Ca 0.00 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.57 3h0t s VAL 2 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3h0t s VAL 2 CO 0.00 0.09 -0.19 -1.10 0.00 0.00 0.00 175.10 173.90 3h0t s GLN 3 N 1.38 2.48 -0.26 2.72 -0.21 -0.46 -4.98 119.66 120.34 3h0t s GLN 3 Ca 0.57 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 55.20 3h0t s GLN 3 Cb -0.27 -2.28 0.06 0.00 1.00 0.00 0.00 33.01 31.51 3h0t s GLN 3 CO 0.27 0.54 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.36 3h0t s LEU 4 N -0.53 3.37 -0.24 2.90 1.43 -1.26 -0.88 118.68 123.47 3h0t s LEU 4 Ca 0.07 -1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 51.76 3h0t s LEU 4 Cb -0.11 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3h0t s LEU 4 CO 0.01 -0.18 0.10 -1.10 0.23 0.00 0.00 176.35 175.41 3h0t s GLN 5 N 1.13 3.81 -0.01 1.70 -0.21 -0.05 -4.29 119.66 121.74 3h0t s GLN 5 Ca -0.08 -0.40 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 3h0t s GLN 5 Cb -0.19 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 3h0t s GLN 5 CO -0.05 -0.07 0.17 -0.65 -2.12 0.00 0.00 175.29 172.56 3h0t s GLN 6 N 1.34 3.38 -0.09 2.91 -0.21 -1.26 -0.90 119.66 124.83 3h0t s GLN 6 Ca 0.06 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.95 3h0t s GLN 6 Cb -0.15 -3.07 0.03 0.00 1.00 0.00 0.00 33.01 30.83 3h0t s GLN 6 CO 0.05 0.68 0.36 0.45 -2.12 0.00 0.00 175.29 174.71 3h0t s SER 7 N -1.87 -0.33 0.00 5.90 0.15 -0.51 -5.00 113.70 112.04 3h0t s SER 7 Ca 0.26 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.41 3h0t s SER 7 Cb -0.12 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3h0t s SER 7 CO 0.17 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3h0t n GLY 8 N 2.19 2.66 3.70 9.45 0.00 -1.26 -0.52 105.19 121.40 3h0t n GLY 8 Ca -0.17 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3h0t n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h0t n PRO 9 N -1.66 2.32 0.00 1.61 -0.02 -1.26 -4.91 135.00 131.08 3h0t n PRO 9 Ca 0.00 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3h0t n PRO 9 Cb 0.00 -2.53 0.29 0.00 -0.02 0.00 0.00 33.50 31.24 3h0t n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0t n GLY 10 N 2.03 -1.12 3.17 -1.23 0.00 -1.26 -4.83 105.19 101.95 3h0t n GLY 10 Ca 0.10 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3h0t n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h0t s LEU 11 N -2.89 1.95 -0.02 0.99 2.96 -1.26 -0.27 118.68 120.14 3h0t s LEU 11 Ca 0.14 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3h0t s LEU 11 Cb 0.18 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.77 3h0t s LEU 11 CO 0.66 0.17 -0.02 -0.69 -1.32 0.00 0.00 176.35 175.15 3h0t s VAL 12 N 0.08 0.26 0.41 1.68 1.01 0.40 -4.94 120.40 119.30 3h0t s VAL 12 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 3h0t s VAL 12 Cb -0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 36.38 35.84 3h0t s VAL 12 CO 0.04 0.13 0.95 -0.54 0.00 0.00 0.00 175.10 175.68 3h0t s LYS 13 N 0.63 4.30 0.38 2.72 1.02 -1.26 -1.82 119.74 125.71 3h0t s LYS 13 Ca -0.07 1.16 -0.27 0.00 0.02 0.00 0.00 55.97 56.82 3h0t s LYS 13 Cb -0.10 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.80 3h0t s LYS 13 CO -0.01 0.03 1.28 -2.30 -0.92 0.00 0.00 175.35 173.43 3h0t n PRO 14 N -0.41 2.04 0.00 -1.68 -0.02 -1.26 -1.77 135.00 131.90 3h0t n PRO 14 Ca 0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3h0t n PRO 14 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3h0t n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3h0t n SER 15 N 0.52 0.00 -4.06 2.55 3.41 0.58 -4.92 113.62 111.71 3h0t n SER 15 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 3h0t n SER 15 Cb 0.38 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 3h0t n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3h0t s GLN 16 N -0.29 0.51 -0.23 4.33 -0.21 -0.73 -3.80 119.66 119.24 3h0t s GLN 16 Ca 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 55.36 54.66 3h0t s GLN 16 Cb 0.00 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.07 3h0t s GLN 16 CO 0.00 -2.45 0.10 0.99 -2.12 0.00 0.00 175.29 171.81 3h0t s THR 17 N -3.85 4.85 0.24 -0.19 2.01 -1.26 -1.13 115.64 116.30 3h0t s THR 17 Ca 0.75 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 3h0t s THR 17 Cb -0.02 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 3h0t s THR 17 CO 0.53 0.37 1.03 -0.22 -0.69 0.00 0.00 174.62 175.63 3h0t s LEU 18 N 1.10 4.58 -0.14 4.42 0.20 0.22 -4.91 118.68 124.15 3h0t s LEU 18 Ca 0.05 2.09 -0.04 0.00 0.69 0.00 0.00 54.13 56.92 3h0t s LEU 18 Cb -0.14 -3.61 0.07 0.00 -0.43 0.00 0.00 46.19 42.07 3h0t s LEU 18 CO 0.04 -0.04 0.21 -0.55 -0.29 0.00 0.00 176.35 175.73 3h0t s SER 19 N -0.81 0.83 0.10 3.68 0.15 -1.26 -1.36 113.70 115.03 3h0t s SER 19 Ca 0.44 0.23 0.05 0.00 0.70 0.00 0.00 55.95 57.38 3h0t s SER 19 Cb -0.29 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 3h0t s SER 19 CO 0.36 -0.27 -0.14 -0.76 1.20 0.00 0.00 173.24 173.63 3h0t s LEU 20 N 2.35 2.35 0.04 3.45 1.43 -0.27 -4.07 118.68 123.96 3h0t s LEU 20 Ca 0.04 -0.73 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 3h0t s LEU 20 Cb -0.13 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 3h0t s LEU 20 CO -0.09 -0.13 -0.17 -0.89 0.23 0.00 0.00 176.35 175.30 3h0t s THR 21 N -1.81 1.37 -0.22 5.49 2.01 0.32 -0.85 115.64 121.95 3h0t s THR 21 Ca 0.04 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3h0t s THR 21 Cb -0.07 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.27 3h0t s THR 21 CO 0.02 0.13 -0.15 0.00 -0.69 0.00 0.00 174.62 173.94 3h0t s ALA 23 N 1.22 3.57 -0.08 0.00 0.00 -0.08 -1.37 121.76 125.03 3h0t s ALA 23 Ca -0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 3h0t s ALA 23 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 3h0t s ALA 23 CO -0.09 -0.41 0.26 0.42 0.00 0.00 0.00 175.76 175.95 3h0t s ILE 24 N 1.51 5.30 0.04 0.00 1.01 -0.51 -0.87 121.20 127.68 3h0t s ILE 24 Ca 0.12 0.49 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 3h0t s ILE 24 Cb -0.15 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3h0t s ILE 24 CO 0.08 0.57 -0.03 -0.94 0.00 0.00 0.00 174.94 174.61 3h0t s SER 25 N -0.81 0.41 0.00 3.58 1.04 -0.05 -4.80 113.70 113.07 3h0t s SER 25 Ca 0.18 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3h0t s SER 25 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3h0t s SER 25 CO 0.07 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3h0t n GLY 26 N 0.98 0.94 3.69 7.32 0.00 -1.26 -1.36 105.19 115.51 3h0t n GLY 26 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 3h0t n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h0t s ASP 27 N -3.01 -0.24 -0.15 1.61 -1.08 -1.26 -4.51 116.67 108.02 3h0t s ASP 27 Ca 0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 52.55 51.65 3h0t s ASP 27 Cb 0.00 0.49 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 3h0t s ASP 27 CO 0.00 -0.87 0.07 -0.55 0.52 0.00 0.00 175.17 174.33 3h0t s SER 28 N -2.83 5.71 0.53 -0.34 0.15 -1.26 -4.95 113.70 110.70 3h0t s SER 28 Ca 0.10 0.16 0.17 0.00 0.70 0.00 0.00 55.95 57.09 3h0t s SER 28 Cb -0.02 -1.90 1.31 0.00 -1.71 0.00 0.00 66.02 63.71 3h0t s SER 28 CO -0.00 0.25 2.16 1.62 1.20 0.00 0.00 173.24 178.47 3h0t h VAL 29 N 4.58 0.96 -0.22 4.45 3.04 -1.94 -1.53 116.25 125.59 3h0t h VAL 29 Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3h0t h VAL 29 Cb 1.18 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3h0t h VAL 29 CO 0.66 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.68 3h0t n SER 30 N -4.48 1.53 -4.66 3.17 3.41 -1.26 -4.59 113.62 106.73 3h0t n SER 30 Ca -0.03 -2.07 -0.46 0.00 -0.26 0.00 0.00 58.87 56.05 3h0t n SER 30 Cb 0.09 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3h0t n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3h0t n SER 31 N 0.18 2.81 0.00 4.04 2.88 -0.58 -4.69 113.62 118.26 3h0t n SER 31 Ca 0.08 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.83 3h0t n SER 31 Cb 0.28 -1.41 0.50 0.00 -0.75 0.00 0.00 64.21 62.83 3h0t n SER 31 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3h0t n ASN 32 N 2.71 0.00 0.00 -3.46 6.94 -1.26 -3.28 115.26 116.91 3h0t n ASN 32 Ca 0.14 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 3h0t n ASN 32 Cb 0.29 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3h0t n ASN 32 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3h0t n SER 33 N -1.22 1.28 -4.55 0.53 3.41 -1.26 -5.02 113.62 106.78 3h0t n SER 33 Ca 0.10 -1.42 -0.27 0.00 -0.26 0.00 0.00 58.87 57.02 3h0t n SER 33 Cb 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 3h0t n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0t s ALA 34 N -0.42 2.89 0.13 7.33 0.00 -1.21 -4.69 121.76 125.79 3h0t s ALA 34 Ca 0.00 -1.48 0.11 0.00 0.00 0.00 0.00 51.96 50.59 3h0t s ALA 34 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3h0t s ALA 34 CO 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 175.76 175.97 3h0t s ALA 35 N -1.67 2.41 -0.33 0.00 0.00 0.48 -4.69 121.76 117.96 3h0t s ALA 35 Ca 0.24 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 3h0t s ALA 35 Cb -0.09 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3h0t s ALA 35 CO 0.14 0.55 0.07 -1.58 0.00 0.00 0.00 175.76 174.94 3h0t s TRP 36 N -1.07 3.34 0.18 0.00 0.52 -0.68 0.65 118.94 121.88 3h0t s TRP 36 Ca 0.14 -1.91 0.06 0.00 0.02 0.00 0.00 56.10 54.41 3h0t s TRP 36 Cb -0.10 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 3h0t s TRP 36 CO 0.06 -0.83 0.12 -0.80 0.02 0.00 0.00 176.95 175.53 3h0t s ASN 37 N 1.41 5.40 -0.05 2.95 0.01 0.70 -0.83 114.94 124.53 3h0t s ASN 37 Ca -0.01 -0.19 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 3h0t s ASN 37 Cb -0.20 -1.37 -0.00 0.00 0.41 0.00 0.00 41.25 40.09 3h0t s ASN 37 CO -0.01 0.06 -0.19 0.26 -1.51 0.00 0.00 177.10 175.71 3h0t s TRP 38 N -1.80 1.90 -0.01 2.20 0.52 0.31 -1.24 118.94 120.81 3h0t s TRP 38 Ca 0.31 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.86 3h0t s TRP 38 Cb -0.10 -1.27 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3h0t s TRP 38 CO 0.23 -0.20 -0.03 0.42 0.02 0.00 0.00 176.95 177.39 3h0t s ILE 39 N 0.06 0.27 0.29 2.03 1.09 0.10 -0.45 121.20 124.59 3h0t s ILE 39 Ca -0.06 -0.13 0.08 0.00 -1.10 0.00 0.00 60.65 59.45 3h0t s ILE 39 Cb -0.13 -0.25 -0.06 0.00 -1.06 0.00 0.00 42.46 40.97 3h0t s ILE 39 CO 0.03 0.09 -0.10 0.00 -0.10 0.00 0.00 174.94 174.86 3h0t s ARG 40 N 0.05 1.61 -0.10 2.79 1.70 -0.30 0.56 118.95 125.26 3h0t s ARG 40 Ca -0.00 -1.80 -0.05 0.00 -0.47 0.00 0.00 55.73 53.41 3h0t s ARG 40 Cb -0.03 -1.37 0.05 0.00 -0.57 0.00 0.00 34.95 33.03 3h0t s ARG 40 CO -0.00 0.12 0.23 -1.14 -1.08 0.00 0.00 175.30 173.43 3h0t s GLN 41 N -3.66 0.19 0.15 3.89 0.74 0.11 -0.50 119.66 120.58 3h0t s GLN 41 Ca 0.29 0.51 0.03 0.00 0.05 0.00 0.00 55.36 56.24 3h0t s GLN 41 Cb 0.02 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.96 3h0t s GLN 41 CO 0.13 -0.16 -0.05 -1.54 -0.55 0.00 0.00 175.29 173.12 3h0t s SER 42 N 1.24 1.43 0.12 6.67 1.04 -0.94 -0.42 113.70 122.84 3h0t s SER 42 Ca -0.09 -1.08 -0.28 0.00 0.48 0.00 0.00 55.95 54.97 3h0t s SER 42 Cb -0.10 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.01 3h0t s SER 42 CO -0.08 -0.46 0.88 -2.84 0.98 0.00 0.00 173.24 171.72 3h0t s PRO 43 N -3.84 4.65 0.00 4.02 0.02 -1.26 -0.60 135.00 138.00 3h0t s PRO 43 Ca 0.19 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3h0t s PRO 43 Cb 0.05 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3h0t s PRO 43 CO 0.01 0.33 0.00 -1.13 -0.33 0.00 0.00 177.00 175.88 3h0t n SER 44 N 2.42 0.00 0.00 2.53 3.41 -1.26 -4.67 113.62 116.05 3h0t n SER 44 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 3h0t n SER 44 Cb 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 3h0t n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h0t n ARG 45 N 0.00 0.27 0.00 4.33 1.74 -1.22 -5.09 116.66 116.69 3h0t n ARG 45 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h0t n ARG 45 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3h0t n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0t n GLY 46 N 1.39 1.05 3.71 -0.13 0.00 0.24 -4.70 105.19 106.74 3h0t n GLY 46 Ca 0.01 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3h0t n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0t s LEU 47 N 0.00 4.29 -0.14 0.99 1.43 -1.26 -2.21 118.68 121.77 3h0t s LEU 47 Ca 0.00 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.20 3h0t s LEU 47 Cb 0.00 -3.03 0.04 0.00 0.03 0.00 0.00 46.19 43.23 3h0t s LEU 47 CO 0.00 -0.13 -0.03 -0.70 0.23 0.00 0.00 176.35 175.72 3h0t s GLU 48 N 0.97 1.12 0.23 1.70 2.12 0.34 -4.98 118.70 120.20 3h0t s GLU 48 Ca 0.35 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 3h0t s GLU 48 Cb -0.17 -1.72 -0.09 0.00 0.26 0.00 0.00 34.13 32.41 3h0t s GLU 48 CO 0.16 -0.41 1.22 -0.46 -0.54 0.00 0.00 175.26 175.23 3h0t s TRP 49 N 1.76 3.36 -0.20 5.30 -0.00 -1.26 -1.15 118.94 126.75 3h0t s TRP 49 Ca 0.02 1.42 -0.02 0.00 -0.00 0.00 0.00 56.10 57.53 3h0t s TRP 49 Cb -0.14 -3.48 -0.11 0.00 -0.00 0.00 0.00 33.47 29.73 3h0t s TRP 49 CO -0.07 -1.35 -0.20 1.28 -0.00 0.00 0.00 176.95 176.61 3h0t n LEU 50 N 2.02 2.54 0.00 5.86 4.77 0.40 -4.65 117.00 127.94 3h0t n LEU 50 Ca 0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3h0t n LEU 50 Cb 0.44 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3h0t n LEU 50 CO 0.56 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3h0t n GLY 51 N 2.33 -2.15 3.54 -0.72 0.00 -1.12 -0.96 105.19 106.11 3h0t n GLY 51 Ca -0.36 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 3h0t n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h0t s ARG 52 N -1.91 0.72 0.07 1.61 1.70 -0.04 -0.53 118.95 120.57 3h0t s ARG 52 Ca 0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 55.73 55.29 3h0t s ARG 52 Cb 0.00 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3h0t s ARG 52 CO 0.00 -0.27 -0.15 -0.08 -1.08 0.00 0.00 175.30 173.72 3h0t s THR 53 N -1.94 1.19 -0.00 4.99 -1.32 -0.01 -1.66 115.64 116.88 3h0t s THR 53 Ca 0.00 -1.28 -0.28 0.00 -1.21 0.00 0.00 61.69 58.92 3h0t s THR 53 Cb -0.01 -1.12 0.08 0.00 -1.51 0.00 0.00 72.50 69.95 3h0t s THR 53 CO -0.02 -0.16 0.74 -0.72 -2.21 0.00 0.00 174.62 172.25 3h0t s TYR 54 N -1.18 -0.53 -0.26 9.09 1.13 0.56 -1.69 117.35 124.47 3h0t s TYR 54 Ca -0.00 0.69 -0.04 0.00 -1.41 0.00 0.00 57.07 56.31 3h0t s TYR 54 Cb -0.10 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.25 3h0t s TYR 54 CO 0.02 -0.62 -0.01 -0.47 -2.51 0.00 0.00 175.55 171.96 3h0t s TYR 55 N -2.16 3.06 -0.56 -3.49 5.04 -1.26 -0.27 117.35 117.71 3h0t s TYR 55 Ca -0.04 -1.19 0.05 0.00 -2.44 0.00 0.00 57.07 53.44 3h0t s TYR 55 Cb -0.00 -2.14 0.17 0.00 0.35 0.00 0.00 41.96 40.34 3h0t s TYR 55 CO -0.00 -0.63 0.42 0.54 -1.34 0.00 0.00 175.55 174.54 3h0t n ARG 56 N 4.77 1.01 -0.49 4.97 5.12 -1.26 -4.59 116.66 126.19 3h0t n ARG 56 Ca -0.16 -3.82 0.00 0.00 -1.93 0.00 0.00 57.85 51.93 3h0t n ARG 56 Cb 0.48 -1.97 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 3h0t n ARG 56 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3h0t n SER 57 N 2.39 0.00 -3.62 0.55 7.64 -1.26 -4.77 113.62 114.54 3h0t n SER 57 Ca 0.25 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 3h0t n SER 57 Cb 0.42 -2.08 -0.06 0.00 -1.01 0.00 0.00 64.21 61.47 3h0t n SER 57 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3h0t s LYS 58 N -0.76 0.52 -0.04 1.43 2.20 -1.26 -5.14 119.74 116.69 3h0t s LYS 58 Ca 0.00 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.77 3h0t s LYS 58 Cb 0.00 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 3h0t s LYS 58 CO 0.00 -0.09 1.45 -1.58 -0.36 0.00 0.00 175.35 174.77 3h0t s TRP 59 N -0.14 2.62 0.07 4.03 0.52 -1.26 -4.37 118.94 120.41 3h0t s TRP 59 Ca 0.02 0.68 0.07 0.00 0.02 0.00 0.00 56.10 56.89 3h0t s TRP 59 Cb -0.04 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.54 3h0t s TRP 59 CO -0.04 -2.73 -0.16 -0.06 0.02 0.00 0.00 176.95 173.98 3h0t s PHE 60 N 2.98 2.61 -0.03 -1.98 0.08 0.63 -4.96 117.98 117.31 3h0t s PHE 60 Ca 0.65 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 57.48 3h0t s PHE 60 Cb -0.31 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3h0t s PHE 60 CO 0.26 0.33 0.02 -0.80 -0.10 0.00 0.00 175.22 174.92 3h0t s ASN 61 N -1.74 0.42 0.18 1.36 -0.87 -1.26 -0.32 114.94 112.71 3h0t s ASN 61 Ca 0.17 0.01 0.08 0.00 -1.57 0.00 0.00 52.86 51.55 3h0t s ASN 61 Cb -0.11 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.25 40.92 3h0t s ASN 61 CO 0.08 -0.13 -0.04 -1.81 -2.57 0.00 0.00 177.10 172.62 3h0t s ASP 62 N 1.22 4.53 -0.03 -1.22 1.01 -0.66 -4.97 116.67 116.55 3h0t s ASP 62 Ca -0.07 -0.48 -0.16 0.00 0.71 0.00 0.00 52.55 52.55 3h0t s ASP 62 Cb -0.13 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 42.95 3h0t s ASP 62 CO -0.03 0.09 0.35 -0.31 0.21 0.00 0.00 175.17 175.49 3h0t s TYR 63 N -1.73 -0.25 0.23 4.23 2.02 -1.26 -0.87 117.35 119.72 3h0t s TYR 63 Ca 0.26 0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 57.09 3h0t s TYR 63 Cb -0.09 0.13 -0.09 0.00 -0.40 0.00 0.00 41.96 41.51 3h0t s TYR 63 CO 0.17 -0.38 1.10 0.00 -1.57 0.00 0.00 175.55 174.87 3h0t s ALA 64 N -1.12 3.39 0.26 3.71 0.00 -0.14 -4.91 121.76 122.95 3h0t s ALA 64 Ca -0.12 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 3h0t s ALA 64 Cb -0.04 -3.34 0.43 0.00 0.00 0.00 0.00 23.12 20.17 3h0t s ALA 64 CO 0.04 -0.19 1.85 0.28 0.00 0.00 0.00 175.76 177.74 3h0t h VAL 65 N 3.43 1.00 -0.40 0.00 2.07 -1.95 -1.56 116.25 118.84 3h0t h VAL 65 Ca -0.45 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 66.84 3h0t h VAL 65 Cb 1.21 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3h0t h VAL 65 CO 0.70 0.18 0.37 0.77 0.02 0.00 0.00 177.57 179.62 3h0t h SER 66 N 1.01 0.00 0.00 0.57 4.64 -1.98 -2.84 113.55 114.96 3h0t h SER 66 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3h0t h SER 66 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3h0t h SER 66 CO -0.21 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.08 3h0t n VAL 67 N -3.94 0.00 -0.25 0.95 0.24 -0.95 -4.82 118.33 109.56 3h0t n VAL 67 Ca 0.07 -0.37 0.18 0.00 -2.04 0.00 0.00 64.34 62.18 3h0t n VAL 67 Cb 0.55 1.13 0.49 0.00 -1.47 0.00 0.00 33.84 34.54 3h0t n VAL 67 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3h0t h GLN 68 N 0.00 0.43 0.00 7.34 4.15 -1.04 0.24 115.11 126.24 3h0t h GLN 68 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3h0t h GLN 68 Cb 0.06 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3h0t h GLN 68 CO 0.00 0.29 0.00 -1.13 -1.93 0.00 0.00 178.83 176.06 3h0t n SER 69 N -4.53 0.00 0.00 -0.69 3.41 -1.26 -3.70 113.62 106.85 3h0t n SER 69 Ca 0.19 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3h0t n SER 69 Cb 0.67 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3h0t n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h0t n ARG 70 N -1.50 4.78 -2.93 4.33 1.74 -0.03 -5.01 116.66 118.03 3h0t n ARG 70 Ca 0.05 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.75 3h0t n ARG 70 Cb 0.22 -0.51 -0.06 0.00 -1.02 0.00 0.00 32.46 31.09 3h0t n ARG 70 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3h0t s ILE 71 N -0.99 4.35 -0.06 0.55 2.07 -0.58 -1.00 121.20 125.54 3h0t s ILE 71 Ca 0.00 1.66 0.00 0.00 -1.41 0.00 0.00 60.65 60.90 3h0t s ILE 71 Cb 0.00 -4.04 0.02 0.00 0.13 0.00 0.00 42.46 38.57 3h0t s ILE 71 CO 0.00 0.32 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.42 3h0t s THR 72 N -1.39 0.59 -0.20 4.00 2.01 -0.31 -4.97 115.64 115.37 3h0t s THR 72 Ca 0.42 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3h0t s THR 72 Cb -0.20 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.70 3h0t s THR 72 CO 0.25 0.26 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 3h0t s ILE 73 N 1.19 2.15 -0.13 1.82 1.01 -1.26 0.27 121.20 126.25 3h0t s ILE 73 Ca -0.06 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3h0t s ILE 73 Cb -0.14 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3h0t s ILE 73 CO -0.02 0.40 -0.17 0.20 0.00 0.00 0.00 174.94 175.35 3h0t s ASN 74 N 1.25 2.74 0.68 3.58 0.01 -1.17 -4.95 114.94 117.09 3h0t s ASN 74 Ca 0.02 -0.51 -0.14 0.00 -0.71 0.00 0.00 52.86 51.52 3h0t s ASN 74 Cb -0.15 -1.24 0.01 0.00 0.41 0.00 0.00 41.25 40.28 3h0t s ASN 74 CO -0.11 0.02 1.11 -2.16 -1.51 0.00 0.00 177.10 174.45 3h0t s PRO 75 N 1.05 2.66 -0.26 -0.60 0.04 -1.26 -1.09 135.00 135.54 3h0t s PRO 75 Ca -0.04 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3h0t s PRO 75 Cb -0.15 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.55 3h0t s PRO 75 CO -0.04 -1.36 0.09 0.34 0.04 0.00 0.00 177.00 176.07 3h0t s ASP 76 N -2.71 3.41 0.26 6.66 3.68 0.35 -4.96 116.67 123.36 3h0t s ASP 76 Ca 0.66 -1.21 0.10 0.00 2.13 0.00 0.00 52.55 54.24 3h0t s ASP 76 Cb -0.20 -0.55 0.29 0.00 -1.45 0.00 0.00 42.92 41.00 3h0t s ASP 76 CO 0.44 -0.39 1.57 0.71 0.13 0.00 0.00 175.17 177.63 3h0t h THR 77 N 6.46 1.44 0.00 1.71 1.35 -1.97 -1.11 112.91 120.79 3h0t h THR 77 Ca -0.17 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 3h0t h THR 77 Cb 1.05 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3h0t h THR 77 CO 0.41 0.65 0.00 -1.54 -0.25 0.00 0.00 175.52 174.79 3h0t n SER 78 N -3.71 0.48 0.00 5.36 3.41 -1.26 -3.05 113.62 114.85 3h0t n SER 78 Ca -0.01 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3h0t n SER 78 Cb 0.66 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3h0t n SER 78 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h0t n LYS 79 N -2.12 1.48 -3.62 4.33 5.02 -1.19 -5.03 118.16 117.04 3h0t n LYS 79 Ca -0.00 -0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 3h0t n LYS 79 Cb 0.08 -0.40 0.05 0.00 -0.02 0.00 0.00 35.03 34.73 3h0t n LYS 79 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h0t n ASN 80 N -0.24 -1.92 -4.10 4.39 5.15 -0.47 -4.80 115.26 113.27 3h0t n ASN 80 Ca 0.00 -0.79 -0.08 0.00 -0.60 0.00 0.00 54.58 53.12 3h0t n ASN 80 Cb 0.06 -4.29 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 3h0t n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h0t s GLN 81 N -5.76 0.64 0.09 1.20 -2.07 -0.88 -1.42 119.66 111.46 3h0t s GLN 81 Ca 0.06 -1.23 0.06 0.00 -1.82 0.00 0.00 55.36 52.44 3h0t s GLN 81 Cb -0.01 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 3h0t s GLN 81 CO 0.80 -0.10 -0.16 -0.59 -1.32 0.00 0.00 175.29 173.91 3h0t s PHE 82 N -3.85 1.45 0.41 9.60 -0.71 -0.47 -0.49 117.98 123.92 3h0t s PHE 82 Ca 0.07 -0.46 0.07 0.00 -1.04 0.00 0.00 56.93 55.57 3h0t s PHE 82 Cb 0.07 -0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 41.04 3h0t s PHE 82 CO -0.09 0.13 0.18 -1.12 -1.34 0.00 0.00 175.22 172.98 3h0t s SER 83 N -1.95 4.44 -0.04 1.98 0.01 -0.25 -0.17 113.70 117.72 3h0t s SER 83 Ca 0.03 -1.06 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 3h0t s SER 83 Cb -0.09 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.68 3h0t s SER 83 CO 0.03 -0.53 0.00 -0.22 0.41 0.00 0.00 173.24 172.93 3h0t s LEU 84 N -3.90 0.92 0.08 2.44 2.96 -0.03 -3.07 118.68 118.08 3h0t s LEU 84 Ca 0.41 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 3h0t s LEU 84 Cb 0.04 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.40 3h0t s LEU 84 CO 0.23 -0.14 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.82 3h0t s GLN 85 N 1.37 1.18 -0.08 1.98 -0.21 0.14 -1.11 119.66 122.93 3h0t s GLN 85 Ca -0.05 -1.08 -0.02 0.00 0.02 0.00 0.00 55.36 54.23 3h0t s GLN 85 Cb -0.13 -1.39 0.04 0.00 1.00 0.00 0.00 33.01 32.52 3h0t s GLN 85 CO -0.02 0.33 0.04 -0.51 -2.12 0.00 0.00 175.29 173.01 3h0t s LEU 86 N -1.67 0.43 0.51 2.90 1.43 -0.47 -1.16 118.68 120.65 3h0t s LEU 86 Ca 0.06 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3h0t s LEU 86 Cb -0.10 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 3h0t s LEU 86 CO 0.03 -0.25 0.88 0.20 0.23 0.00 0.00 176.35 177.45 3h0t s ASN 87 N 2.06 6.36 -1.19 2.29 0.01 -0.17 -0.61 114.94 123.69 3h0t s ASN 87 Ca 0.04 1.22 -0.02 0.00 -0.71 0.00 0.00 52.86 53.39 3h0t s ASN 87 Cb -0.13 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 3h0t s ASN 87 CO -0.05 -0.63 0.91 -1.20 -1.51 0.00 0.00 177.10 174.62 3h0t n SER 88 N -2.10 -2.90 -4.78 -1.22 7.64 -0.94 -4.89 113.62 104.43 3h0t n SER 88 Ca 0.03 -0.70 -0.35 0.00 1.01 0.00 0.00 58.87 58.87 3h0t n SER 88 Cb 0.54 -4.85 -0.01 0.00 -1.01 0.00 0.00 64.21 58.88 3h0t n SER 88 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3h0t s VAL 89 N -3.44 3.36 0.37 0.44 -7.23 -0.29 -4.61 120.40 109.01 3h0t s VAL 89 Ca 0.11 0.87 0.06 0.00 -1.81 0.00 0.00 61.98 61.21 3h0t s VAL 89 Cb -0.02 -3.37 -0.07 0.00 0.56 0.00 0.00 36.38 33.48 3h0t s VAL 89 CO 0.75 -0.16 0.03 0.42 -0.31 0.00 0.00 175.10 175.84 3h0t s THR 90 N -1.80 1.63 0.31 5.32 -4.23 -1.26 -0.31 115.64 115.30 3h0t s THR 90 Ca 0.70 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.54 3h0t s THR 90 Cb -0.22 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.05 3h0t s THR 90 CO 0.26 -0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.72 3h0t h PRO 91 N 1.93 0.00 0.00 3.99 0.11 -1.98 0.34 132.00 136.39 3h0t h PRO 91 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3h0t h PRO 91 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h0t h PRO 91 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 3h0t n GLU 92 N -2.71 0.03 0.00 1.05 4.71 -1.26 -2.25 120.64 120.20 3h0t n GLU 92 Ca -0.02 0.26 0.13 0.00 -0.01 0.00 0.00 57.16 57.52 3h0t n GLU 92 Cb 0.08 -1.50 0.40 0.00 -1.01 0.00 0.00 31.44 29.41 3h0t n GLU 92 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3h0t n ASP 93 N -1.47 0.88 -4.71 1.62 8.00 0.11 -4.89 116.55 116.09 3h0t n ASP 93 Ca 0.04 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 3h0t n ASP 93 Cb 0.15 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3h0t n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h0t s THR 94 N -2.55 2.36 -0.15 -3.53 2.01 -0.96 -4.85 115.64 107.98 3h0t s THR 94 Ca 0.23 0.18 -0.34 0.00 0.31 0.00 0.00 61.69 62.07 3h0t s THR 94 Cb 0.19 -3.11 0.15 0.00 0.01 0.00 0.00 72.50 69.74 3h0t s THR 94 CO 0.53 0.01 1.39 0.00 -0.69 0.00 0.00 174.62 175.86 3h0t s ALA 95 N 1.57 -2.36 -0.12 7.40 0.00 -0.88 -4.81 121.76 122.56 3h0t s ALA 95 Ca 0.75 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.76 3h0t s ALA 95 Cb -0.47 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3h0t s ALA 95 CO 0.33 -0.88 0.51 0.08 0.00 0.00 0.00 175.76 175.79 3h0t s VAL 96 N -2.11 5.16 -0.24 0.00 1.01 0.44 -1.05 120.40 123.61 3h0t s VAL 96 Ca 0.14 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 3h0t s VAL 96 Cb 0.04 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3h0t s VAL 96 CO -0.05 0.30 0.09 -0.31 0.00 0.00 0.00 175.10 175.13 3h0t s TYR 97 N 0.77 3.14 -0.12 5.22 1.51 -0.11 0.07 117.35 127.84 3h0t s TYR 97 Ca 0.27 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3h0t s TYR 97 Cb -0.15 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 3h0t s TYR 97 CO 0.11 -0.21 -0.02 0.71 -1.11 0.00 0.00 175.55 175.03 3h0t s TYR 98 N 1.37 3.07 0.27 2.71 2.02 0.19 -0.42 117.35 126.56 3h0t s TYR 98 Ca 0.06 -0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3h0t s TYR 98 Cb -0.15 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.50 3h0t s TYR 98 CO 0.05 0.22 0.55 0.00 -1.57 0.00 0.00 175.55 174.79 3h0t s ALA 100 N -2.00 -1.31 0.10 0.00 0.00 -0.38 -0.48 121.76 117.68 3h0t s ALA 100 Ca 0.45 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.96 3h0t s ALA 100 Cb -0.11 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 3h0t s ALA 100 CO 0.27 -0.47 0.39 0.50 0.00 0.00 0.00 175.76 176.45 3h0t s ARG 101 N -2.22 3.70 0.09 0.00 3.52 0.16 -0.22 118.95 123.98 3h0t s ARG 101 Ca -0.07 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3h0t s ARG 101 Cb -0.01 -2.95 0.01 0.00 -1.56 0.00 0.00 34.95 30.44 3h0t s ARG 101 CO 0.00 0.53 0.15 0.41 -0.81 0.00 0.00 175.30 175.58 3h0t n GLY 102 N 0.66 2.58 3.42 8.12 0.00 0.21 0.27 105.19 120.45 3h0t n GLY 102 Ca -0.06 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 3h0t n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0t s ILE 103 N -2.59 4.58 0.16 -0.61 1.01 -0.10 -0.39 121.20 123.26 3h0t s ILE 103 Ca 0.07 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3h0t s ILE 103 Cb -0.01 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 3h0t s ILE 103 CO 0.05 -0.02 1.54 0.58 0.00 0.00 0.00 174.94 177.08 3h0t h VAL 104 N 5.73 0.00 0.04 2.92 2.07 -1.85 -2.47 116.25 122.69 3h0t h VAL 104 Ca -0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3h0t h VAL 104 Cb 1.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3h0t h VAL 104 CO 0.63 0.00 -0.18 0.15 0.02 0.00 0.00 177.57 178.19 3h0t h PHE 105 N -0.04 -0.48 -0.67 1.57 3.57 -1.97 -3.20 116.94 115.73 3h0t h PHE 105 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3h0t h PHE 105 Cb 0.43 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3h0t h PHE 105 CO -1.00 -0.26 0.00 -1.13 -2.23 0.00 0.00 178.31 173.69 3h0t n SER 106 N -5.31 4.04 -4.00 0.41 3.41 -1.15 -4.94 113.62 106.08 3h0t n SER 106 Ca -0.06 -2.16 -0.32 0.00 -0.26 0.00 0.00 58.87 56.07 3h0t n SER 106 Cb 0.23 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3h0t n SER 106 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h0t n TYR 107 N 1.35 -2.08 -3.81 7.33 4.01 -0.94 -4.94 117.16 118.08 3h0t n TYR 107 Ca 0.24 0.85 -0.30 0.00 -0.16 0.00 0.00 57.90 58.52 3h0t n TYR 107 Cb 0.69 -3.55 -0.04 0.00 -0.31 0.00 0.00 39.34 36.12 3h0t n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h0t s ALA 108 N -3.27 3.91 -0.05 -0.72 0.00 -1.16 -4.94 121.76 115.53 3h0t s ALA 108 Ca 0.69 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 3h0t s ALA 108 Cb -0.36 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 3h0t s ALA 108 CO 0.85 0.70 -0.00 -1.64 0.00 0.00 0.00 175.76 175.67 3h0t s MET 109 N -2.73 2.89 -0.15 0.00 -1.94 -1.26 -0.92 119.30 115.19 3h0t s MET 109 Ca 0.37 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.77 3h0t s MET 109 Cb -0.12 -2.73 -0.06 0.00 2.01 0.00 0.00 34.83 33.92 3h0t s MET 109 CO 0.27 0.67 -0.22 -3.47 -0.01 0.00 0.00 175.02 172.26 3h0t n ASP 110 N 1.85 1.28 -3.68 3.03 2.03 0.76 -4.89 116.55 116.93 3h0t n ASP 110 Ca -0.17 0.22 -0.21 0.00 0.52 0.00 0.00 54.79 55.15 3h0t n ASP 110 Cb 0.53 -0.51 -0.18 0.00 -0.72 0.00 0.00 41.12 40.24 3h0t n ASP 110 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3h0t s VAL 111 N -2.36 -0.04 -0.14 5.18 1.01 -0.98 -4.97 120.40 118.10 3h0t s VAL 111 Ca -0.22 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3h0t s VAL 111 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3h0t s VAL 111 CO 0.29 0.15 0.14 0.26 0.00 0.00 0.00 175.10 175.93 3h0t s TRP 112 N 2.14 3.54 1.20 5.22 0.52 -1.26 -0.67 118.94 129.63 3h0t s TRP 112 Ca 0.05 0.47 -0.20 0.00 0.02 0.00 0.00 56.10 56.43 3h0t s TRP 112 Cb -0.12 -2.00 0.29 0.00 -1.15 0.00 0.00 33.47 30.48 3h0t s TRP 112 CO -0.04 0.60 1.14 0.20 0.02 0.00 0.00 176.95 178.88 3h0t s GLY 113 N -0.61 1.61 0.14 0.98 0.00 0.36 -4.90 107.32 104.89 3h0t s GLY 113 Ca 0.13 -1.07 0.24 0.00 0.00 0.00 0.00 44.72 44.01 3h0t s GLY 113 CO 0.02 -0.16 1.23 -1.61 0.00 0.00 0.00 173.10 172.58 3h0t h GLN 114 N -2.57 0.00 0.00 2.90 4.15 -1.86 -3.45 115.11 114.27 3h0t h GLN 114 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 3h0t h GLN 114 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 3h0t h GLN 114 CO 0.31 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.62 3h0t n GLY 115 N 1.30 1.26 2.83 2.39 0.00 -1.26 -5.04 105.19 106.67 3h0t n GLY 115 Ca 0.02 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 3h0t n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h0t s THR 116 N -2.52 0.40 0.01 2.61 2.01 0.44 -4.94 115.64 113.66 3h0t s THR 116 Ca 0.00 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 3h0t s THR 116 Cb 0.00 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3h0t s THR 116 CO 0.00 0.23 1.19 -0.89 -0.69 0.00 0.00 174.62 174.46 3h0t s THR 117 N 1.41 4.15 -0.12 -0.82 2.01 -1.26 -0.94 115.64 120.07 3h0t s THR 117 Ca -0.04 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.51 3h0t s THR 117 Cb -0.13 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3h0t s THR 117 CO -0.03 0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.10 3h0t s VAL 118 N 1.52 2.50 -0.13 3.82 1.01 -0.21 -4.48 120.40 124.42 3h0t s VAL 118 Ca 0.57 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3h0t s VAL 118 Cb -0.27 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3h0t s VAL 118 CO 0.26 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.99 3h0t s THR 119 N 0.42 3.99 -0.28 3.92 2.01 0.63 -2.07 115.64 124.26 3h0t s THR 119 Ca -0.14 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 3h0t s THR 119 Cb -0.17 -2.72 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 3h0t s THR 119 CO 0.06 0.53 0.08 -0.69 -0.69 0.00 0.00 174.62 173.91 3h0t s VAL 120 N -0.06 4.12 -0.14 3.82 1.01 -1.26 -0.45 120.40 127.45 3h0t s VAL 120 Ca 0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3h0t s VAL 120 Cb -0.13 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.27 3h0t s VAL 120 CO 0.02 0.17 0.76 -0.55 0.00 0.00 0.00 175.10 175.50 3h0t s SER 121 N 1.55 -0.63 0.00 3.32 0.15 -0.76 -4.52 113.70 112.81 3h0t s SER 121 Ca 0.04 0.87 0.26 0.00 0.70 0.00 0.00 55.95 57.82 3h0t s SER 121 Cb -0.16 0.77 0.57 0.00 -1.71 0.00 0.00 66.02 65.49 3h0t s SER 121 CO 0.03 -0.45 1.46 -1.54 1.20 0.00 0.00 173.24 173.94 3h0t n SER 122 N 1.42 1.80 -4.75 5.45 3.41 -1.26 -4.14 113.62 115.55 3h0t n SER 122 Ca -0.16 -1.44 -0.37 0.00 -0.26 0.00 0.00 58.87 56.64 3h0t n SER 122 Cb 0.57 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.69 3h0t n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0t s ALA 123 N -2.23 2.56 0.10 7.33 0.00 -1.26 -5.07 121.76 123.19 3h0t s ALA 123 Ca 0.28 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3h0t s ALA 123 Cb 0.20 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3h0t s ALA 123 CO 0.43 -1.31 0.02 -1.13 0.00 0.00 0.00 175.76 173.77 3h0t n SER 124 N -1.54 2.00 -4.70 0.00 3.41 -1.26 -5.04 113.62 106.49 3h0t n SER 124 Ca 0.13 -1.42 -0.56 0.00 -0.26 0.00 0.00 58.87 56.77 3h0t n SER 124 Cb 0.48 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3h0t n SER 124 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0t n THR 125 N -0.39 0.35 -3.74 6.66 -1.04 -1.26 -4.64 114.28 110.22 3h0t n THR 125 Ca -0.03 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.78 3h0t n THR 125 Cb 0.12 -1.34 -0.14 0.00 -1.82 0.00 0.00 70.33 67.16 3h0t n THR 125 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3h0t s LYS 126 N 3.54 0.12 0.50 -2.82 2.20 0.39 -4.95 119.74 118.72 3h0t s LYS 126 Ca 0.97 0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 3h0t s LYS 126 Cb -0.99 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.10 3h0t s LYS 126 CO 0.62 -0.17 0.88 0.20 -0.36 0.00 0.00 175.35 176.53 3h0t s GLY 127 N 1.24 1.80 0.60 5.54 0.00 -1.26 -1.08 107.32 114.15 3h0t s GLY 127 Ca -0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 3h0t s GLY 127 CO -0.07 0.06 1.03 2.56 0.00 0.00 0.00 173.10 176.69 3h0t s PRO 128 N -4.43 3.48 -0.16 2.90 0.04 -1.26 -4.56 135.00 131.01 3h0t s PRO 128 Ca 0.53 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 3h0t s PRO 128 Cb -0.10 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3h0t s PRO 128 CO 0.40 -0.66 0.08 -1.12 0.04 0.00 0.00 177.00 175.73 3h0t s SER 129 N -3.36 5.79 -0.11 6.66 0.01 -0.52 -4.93 113.70 117.25 3h0t s SER 129 Ca 0.59 0.19 -0.00 0.00 1.31 0.00 0.00 55.95 58.04 3h0t s SER 129 Cb -0.13 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 3h0t s SER 129 CO 0.42 0.25 -0.09 -0.69 0.41 0.00 0.00 173.24 173.54 3h0t s VAL 130 N -0.09 3.45 0.08 3.43 1.01 -1.26 -0.63 120.40 126.39 3h0t s VAL 130 Ca 0.07 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3h0t s VAL 130 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3h0t s VAL 130 CO 0.01 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 3h0t s PHE 131 N -0.15 1.47 0.39 5.22 0.08 0.04 -4.96 117.98 120.08 3h0t s PHE 131 Ca 0.01 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 3h0t s PHE 131 Cb -0.13 -0.82 -0.10 0.00 -0.57 0.00 0.00 43.02 41.40 3h0t s PHE 131 CO 0.03 0.12 0.98 -1.25 -0.10 0.00 0.00 175.22 175.00 3h0t s PRO 132 N -1.77 4.29 -0.70 0.24 0.04 -1.26 -0.36 135.00 135.48 3h0t s PRO 132 Ca 0.02 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 3h0t s PRO 132 Cb -0.10 -2.48 0.18 0.00 0.04 0.00 0.00 34.50 32.15 3h0t s PRO 132 CO 0.03 0.01 0.56 -0.51 0.04 0.00 0.00 177.00 177.13 3h0t s LEU 133 N -2.68 5.73 0.27 -3.56 1.43 0.56 -4.77 118.68 115.65 3h0t s LEU 133 Ca 0.57 -2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 50.52 3h0t s LEU 133 Cb -0.16 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 3h0t s LEU 133 CO 0.21 -0.42 1.08 0.00 0.23 0.00 0.00 176.35 177.45 3h0t s ALA 134 N -0.07 3.40 0.57 4.21 0.00 -1.26 -0.77 121.76 127.84 3h0t s ALA 134 Ca 0.18 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 3h0t s ALA 134 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3h0t s ALA 134 CO -0.05 -0.11 1.07 -1.25 0.00 0.00 0.00 175.76 175.41 3h0t s PRO 135 N -1.36 3.36 0.36 0.00 0.04 -1.26 -4.83 135.00 131.32 3h0t s PRO 135 Ca 0.44 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 3h0t s PRO 135 Cb -0.31 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.23 3h0t s PRO 135 CO 0.40 -0.79 0.64 -1.13 0.04 0.00 0.00 177.00 176.16 3h0t n SER 136 N -1.77 -1.85 -0.16 6.66 3.41 -1.26 -3.47 113.62 115.19 3h0t n SER 136 Ca 0.09 -2.66 0.12 0.00 -0.26 0.00 0.00 58.87 56.16 3h0t n SER 136 Cb 0.52 3.19 0.45 0.00 -0.26 0.00 0.00 64.21 68.12 3h0t n SER 136 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h0t h SER 137 N 1.91 0.48 0.44 4.04 4.64 -1.96 -1.89 113.55 121.21 3h0t h SER 137 Ca -0.30 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h0t h SER 137 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3h0t h SER 137 CO 0.39 0.27 0.00 2.29 -0.87 0.00 0.00 176.83 178.91 3h0t n LYS 138 N -4.49 0.04 -0.25 4.77 2.85 -1.26 -1.46 118.16 118.36 3h0t n LYS 138 Ca 0.13 0.34 0.06 0.00 -1.05 0.00 0.00 58.31 57.79 3h0t n LYS 138 Cb 0.41 -1.59 0.18 0.00 -0.65 0.00 0.00 35.03 33.38 3h0t n LYS 138 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3h0t n SER 139 N -1.68 3.16 -4.44 -5.58 3.41 -0.73 -4.97 113.62 102.80 3h0t n SER 139 Ca 0.02 -2.41 -0.33 0.00 -0.26 0.00 0.00 58.87 55.90 3h0t n SER 139 Cb 0.15 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 63.63 3h0t n SER 139 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h0t s THR 140 N -1.73 3.15 -0.07 6.66 2.01 -0.54 -1.08 115.64 124.05 3h0t s THR 140 Ca 0.28 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 3h0t s THR 140 Cb 0.20 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.45 3h0t s THR 140 CO 0.11 0.56 0.03 -0.55 -0.69 0.00 0.00 174.62 174.08 3h0t s SER 141 N -0.20 1.51 1.12 3.53 0.15 0.12 -4.98 113.70 114.95 3h0t s SER 141 Ca 0.01 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3h0t s SER 141 Cb -0.13 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3h0t s SER 141 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3h0t n GLY 142 N 5.20 1.77 2.18 9.45 0.00 -1.26 -1.68 105.19 120.86 3h0t n GLY 142 Ca -0.06 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3h0t n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0t n GLY 143 N 0.00 4.60 2.92 -0.02 0.00 -1.26 -4.95 105.19 106.48 3h0t n GLY 143 Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 3h0t n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h0t s THR 144 N -3.38 0.71 -0.04 2.61 2.01 -0.68 -1.33 115.64 115.54 3h0t s THR 144 Ca 0.57 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.42 3h0t s THR 144 Cb 0.48 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 3h0t s THR 144 CO 0.10 0.27 -0.25 0.00 -0.69 0.00 0.00 174.62 174.05 3h0t s ALA 145 N 0.93 2.10 0.09 7.40 0.00 -0.30 0.14 121.76 132.12 3h0t s ALA 145 Ca -0.11 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 3h0t s ALA 145 Cb -0.15 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 3h0t s ALA 145 CO 0.00 0.45 0.58 0.00 0.00 0.00 0.00 175.76 176.79 3h0t s ALA 146 N -0.33 3.58 0.22 0.00 0.00 -0.24 -1.70 121.76 123.29 3h0t s ALA 146 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3h0t s ALA 146 Cb -0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3h0t s ALA 146 CO 0.02 0.40 0.26 -0.48 0.00 0.00 0.00 175.76 175.96 3h0t s LEU 147 N -1.28 0.87 0.00 0.00 0.05 -0.20 -4.19 118.68 113.94 3h0t s LEU 147 Ca 0.31 -1.24 -0.02 0.00 0.05 0.00 0.00 54.13 53.24 3h0t s LEU 147 Cb -0.19 0.88 0.01 0.00 -2.05 0.00 0.00 46.19 44.83 3h0t s LEU 147 CO 0.19 -0.95 0.09 0.61 -0.55 0.00 0.00 176.35 175.74 3h0t n GLY 148 N -0.32 1.15 2.82 -3.48 0.00 0.05 -1.24 105.19 104.17 3h0t n GLY 148 Ca 0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3h0t n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0t s LEU 150 N 0.68 4.29 -0.39 0.00 2.96 0.51 -1.64 118.68 125.08 3h0t s LEU 150 Ca -0.06 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3h0t s LEU 150 Cb -0.08 -2.33 0.11 0.00 0.50 0.00 0.00 46.19 44.39 3h0t s LEU 150 CO -0.02 0.18 0.17 -0.69 -1.32 0.00 0.00 176.35 174.67 3h0t s VAL 151 N 0.06 3.08 -0.02 1.68 1.01 0.11 -0.78 120.40 125.54 3h0t s VAL 151 Ca 0.16 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 3h0t s VAL 151 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3h0t s VAL 151 CO 0.04 -0.66 0.15 -0.54 0.00 0.00 0.00 175.10 174.09 3h0t s LYS 152 N 1.09 3.33 -1.10 2.72 -0.14 0.20 -1.05 119.74 124.79 3h0t s LYS 152 Ca 0.09 -0.36 -0.04 0.00 -1.36 0.00 0.00 55.97 54.30 3h0t s LYS 152 Cb -0.22 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 3h0t s LYS 152 CO -0.05 0.67 0.94 -0.25 -0.76 0.00 0.00 175.35 175.91 3h0t n ASP 153 N 1.09 -5.12 -4.65 2.83 8.00 0.71 -1.43 116.55 117.97 3h0t n ASP 153 Ca -0.12 -0.69 -0.24 0.00 0.71 0.00 0.00 54.79 54.45 3h0t n ASP 153 Cb 0.53 -5.16 -0.08 0.00 -0.02 0.00 0.00 41.12 36.38 3h0t n ASP 153 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3h0t s TYR 154 N -3.38 2.57 -0.25 1.24 1.13 -0.22 -4.56 117.35 113.87 3h0t s TYR 154 Ca 0.31 -0.44 -0.26 0.00 -1.41 0.00 0.00 57.07 55.27 3h0t s TYR 154 Cb -0.04 -1.54 0.08 0.00 -1.10 0.00 0.00 41.96 39.36 3h0t s TYR 154 CO 0.74 0.44 0.80 0.12 -2.51 0.00 0.00 175.55 175.14 3h0t s PHE 155 N -2.52 -0.69 0.44 -3.49 5.36 -0.24 -1.22 117.98 115.63 3h0t s PHE 155 Ca 0.35 1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 57.87 3h0t s PHE 155 Cb 0.00 0.31 0.10 0.00 -0.34 0.00 0.00 43.02 43.09 3h0t s PHE 155 CO 0.20 -0.36 0.60 -0.35 -1.46 0.00 0.00 175.22 173.84 3h0t n PRO 156 N 2.33 -0.48 -1.04 10.12 -0.04 -1.26 -0.46 135.00 144.16 3h0t n PRO 156 Ca -0.14 -1.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.00 3h0t n PRO 156 Cb 0.55 -0.59 0.13 0.00 -0.04 0.00 0.00 33.50 33.55 3h0t n PRO 156 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h0t s GLU 157 N -4.26 1.66 0.31 0.54 2.02 -1.26 -4.77 118.70 112.95 3h0t s GLU 157 Ca 0.34 1.46 0.08 0.00 0.02 0.00 0.00 54.97 56.87 3h0t s GLU 157 Cb -0.01 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 3h0t s GLU 157 CO 0.24 -2.14 0.17 -1.25 0.02 0.00 0.00 175.26 172.31 3h0t s PRO 158 N -4.58 2.57 -0.06 0.39 0.04 -1.26 -4.93 135.00 127.17 3h0t s PRO 158 Ca 0.66 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 60.35 3h0t s PRO 158 Cb -0.22 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3h0t s PRO 158 CO 0.55 0.21 -0.03 0.08 0.04 0.00 0.00 177.00 177.84 3h0t s VAL 159 N -2.31 4.00 0.11 -0.36 1.01 -1.26 -4.43 120.40 117.16 3h0t s VAL 159 Ca 0.37 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3h0t s VAL 159 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3h0t s VAL 159 CO 0.24 0.55 -0.23 0.42 0.00 0.00 0.00 175.10 176.08 3h0t s THR 160 N -0.89 2.50 -0.03 3.92 -4.23 -0.49 -4.98 115.64 111.43 3h0t s THR 160 Ca 0.14 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3h0t s THR 160 Cb -0.11 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3h0t s THR 160 CO 0.03 0.14 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.44 3h0t s VAL 161 N -1.05 1.08 0.38 2.29 1.01 -1.26 -0.61 120.40 122.24 3h0t s VAL 161 Ca 0.15 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3h0t s VAL 161 Cb -0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 3h0t s VAL 161 CO 0.07 0.32 0.04 -0.94 0.00 0.00 0.00 175.10 174.59 3h0t s SER 162 N 0.13 3.23 -0.05 3.32 1.04 -0.44 -4.98 113.70 115.94 3h0t s SER 162 Ca -0.03 -1.41 0.05 0.00 0.48 0.00 0.00 55.95 55.03 3h0t s SER 162 Cb -0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 3h0t s SER 162 CO 0.01 -0.57 -0.21 0.26 0.98 0.00 0.00 173.24 173.71 3h0t s TRP 163 N -2.99 2.07 -1.52 5.02 0.52 -1.26 -0.77 118.94 120.01 3h0t s TRP 163 Ca 0.33 -0.60 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 3h0t s TRP 163 Cb 0.08 -1.38 0.08 0.00 -1.15 0.00 0.00 33.47 31.11 3h0t s TRP 163 CO 0.16 -0.19 0.94 0.09 0.02 0.00 0.00 176.95 177.97 3h0t n ASN 164 N 3.04 -4.35 -2.20 2.95 3.02 0.44 -0.74 115.26 117.41 3h0t n ASN 164 Ca -0.18 -0.80 -0.16 0.00 -0.03 0.00 0.00 54.58 53.42 3h0t n ASN 164 Cb 0.52 -3.84 -0.02 0.00 -0.61 0.00 0.00 39.78 35.84 3h0t n ASN 164 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h0t n SER 165 N -2.85 -4.57 0.00 6.41 7.64 -1.26 -1.66 113.62 117.32 3h0t n SER 165 Ca 0.01 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3h0t n SER 165 Cb 0.54 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 3h0t n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h0t n GLY 166 N -0.75 0.60 0.22 0.23 0.00 0.08 -4.94 105.19 100.63 3h0t n GLY 166 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3h0t n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0t h ALA 167 N 0.00 1.52 -3.13 4.61 0.00 -1.29 -3.41 119.26 117.56 3h0t h ALA 167 Ca 0.00 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.99 3h0t h ALA 167 Cb 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 17.44 3h0t h ALA 167 CO 0.00 0.35 -0.62 -1.17 0.00 0.00 0.00 179.25 177.81 3h0t s LEU 168 N -8.60 4.12 0.00 0.00 2.96 -1.10 -4.85 118.68 111.21 3h0t s LEU 168 Ca -0.04 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 3h0t s LEU 168 Cb 0.15 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3h0t s LEU 168 CO 0.72 -0.28 0.00 0.35 -1.32 0.00 0.00 176.35 175.82 3h0t n THR 169 N 4.81 0.00 -1.78 3.68 -2.24 -1.26 -4.09 114.28 113.41 3h0t n THR 169 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3h0t n THR 169 Cb 0.46 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3h0t n THR 169 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h0t s SER 170 N -2.32 6.51 0.00 3.42 0.15 -1.26 -2.40 113.70 117.80 3h0t s SER 170 Ca 0.00 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.21 3h0t s SER 170 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3h0t s SER 170 CO 0.00 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.05 3h0t n GLY 171 N 4.36 0.72 3.73 9.45 0.00 -1.26 -4.73 105.19 117.46 3h0t n GLY 171 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3h0t n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0t s VAL 172 N -2.78 4.66 -0.07 1.61 1.01 -1.01 -3.02 120.40 120.80 3h0t s VAL 172 Ca 0.00 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 3h0t s VAL 172 Cb 0.00 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.19 3h0t s VAL 172 CO 0.00 0.32 -0.01 -2.28 0.00 0.00 0.00 175.10 173.13 3h0t s HIS 173 N 0.10 0.75 -0.25 5.22 2.46 0.86 -4.98 115.29 119.46 3h0t s HIS 173 Ca 0.43 -0.23 -0.09 0.00 0.47 0.00 0.00 55.06 55.65 3h0t s HIS 173 Cb -0.22 -0.83 -0.04 0.00 -0.13 0.00 0.00 32.58 31.37 3h0t s HIS 173 CO 0.26 -0.33 0.12 0.99 -2.47 0.00 0.00 174.74 173.31 3h0t s THR 174 N 1.83 4.81 0.67 0.89 2.01 -1.26 -0.58 115.64 124.01 3h0t s THR 174 Ca 0.03 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 3h0t s THR 174 Cb -0.12 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 3h0t s THR 174 CO -0.05 0.33 1.07 -0.36 -0.69 0.00 0.00 174.62 174.92 3h0t s PHE 175 N 1.39 3.42 0.77 4.92 0.40 -0.30 -5.00 117.98 123.58 3h0t s PHE 175 Ca 0.06 1.17 -0.10 0.00 -0.60 0.00 0.00 56.93 57.46 3h0t s PHE 175 Cb -0.15 -2.92 0.06 0.00 0.51 0.00 0.00 43.02 40.52 3h0t s PHE 175 CO 0.06 -1.01 1.09 -2.14 0.70 0.00 0.00 175.22 173.92 3h0t s PRO 176 N -5.26 2.27 0.51 0.24 0.02 -1.26 -4.61 135.00 126.91 3h0t s PRO 176 Ca 0.57 1.16 -0.19 0.00 0.02 0.00 0.00 61.00 62.56 3h0t s PRO 176 Cb -0.11 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 3h0t s PRO 176 CO 0.53 -1.63 1.05 0.00 -0.33 0.00 0.00 177.00 176.62 3h0t s ALA 177 N -2.91 2.83 0.05 -1.55 0.00 -1.26 -4.74 121.76 114.19 3h0t s ALA 177 Ca 0.61 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 3h0t s ALA 177 Cb -0.17 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3h0t s ALA 177 CO 0.56 -0.44 0.21 0.14 0.00 0.00 0.00 175.76 176.22 3h0t s VAL 178 N -2.04 5.39 -0.22 0.00 -7.23 -0.32 -4.95 120.40 111.03 3h0t s VAL 178 Ca 0.67 -0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 3h0t s VAL 178 Cb -0.17 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 3h0t s VAL 178 CO 0.23 0.16 0.03 -0.22 -0.31 0.00 0.00 175.10 174.99 3h0t s LEU 179 N -2.46 3.31 0.69 1.32 2.96 -1.26 -1.76 118.68 121.47 3h0t s LEU 179 Ca 0.34 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3h0t s LEU 179 Cb -0.13 -1.86 0.11 0.00 0.50 0.00 0.00 46.19 44.80 3h0t s LEU 179 CO 0.27 0.02 0.95 -1.10 -1.32 0.00 0.00 176.35 175.17 3h0t s GLN 180 N 1.29 1.87 0.45 1.98 -0.21 -0.24 -4.96 119.66 119.84 3h0t s GLN 180 Ca 0.04 -1.00 0.29 0.00 0.02 0.00 0.00 55.36 54.71 3h0t s GLN 180 Cb -0.15 -2.35 1.02 0.00 1.00 0.00 0.00 33.01 32.53 3h0t s GLN 180 CO 0.02 -1.29 1.84 0.66 -2.12 0.00 0.00 175.29 174.39 3h0t h SER 181 N -0.41 0.00 0.28 5.90 4.64 -1.99 -1.40 113.55 120.57 3h0t h SER 181 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3h0t h SER 181 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3h0t h SER 181 CO 0.44 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 3h0t n SER 182 N -2.88 0.57 0.00 4.97 3.41 -1.26 -4.88 113.62 113.55 3h0t n SER 182 Ca 0.02 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3h0t n SER 182 Cb 0.35 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3h0t n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0t n GLY 183 N -0.80 0.49 3.44 5.00 0.00 -0.53 -4.82 105.19 107.97 3h0t n GLY 183 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 3h0t n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0t s LEU 184 N 0.00 2.48 0.36 0.99 1.43 -1.26 -4.60 118.68 118.09 3h0t s LEU 184 Ca 0.00 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3h0t s LEU 184 Cb 0.00 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3h0t s LEU 184 CO 0.00 0.13 0.60 -0.31 0.23 0.00 0.00 176.35 177.01 3h0t s TYR 185 N -1.51 3.51 -0.06 0.29 1.51 -0.36 -1.08 117.35 119.65 3h0t s TYR 185 Ca 0.20 0.52 -0.05 0.00 -1.01 0.00 0.00 57.07 56.73 3h0t s TYR 185 Cb -0.09 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3h0t s TYR 185 CO 0.10 0.04 0.15 -1.12 -1.11 0.00 0.00 175.55 173.61 3h0t s SER 186 N -3.85 -0.15 0.34 2.29 0.01 -0.73 -0.21 113.70 111.41 3h0t s SER 186 Ca 0.43 0.29 0.05 0.00 1.31 0.00 0.00 55.95 58.02 3h0t s SER 186 Cb -0.10 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 3h0t s SER 186 CO 0.37 -0.05 0.19 -1.48 0.41 0.00 0.00 173.24 172.67 3h0t s LEU 187 N 0.11 1.77 0.16 2.44 0.05 -0.22 -1.18 118.68 121.82 3h0t s LEU 187 Ca -0.00 -1.65 0.10 0.00 0.05 0.00 0.00 54.13 52.62 3h0t s LEU 187 Cb -0.01 0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 44.32 3h0t s LEU 187 CO -0.00 -0.96 -0.21 -0.44 -0.55 0.00 0.00 176.35 174.19 3h0t s SER 188 N -3.43 2.93 -0.10 1.48 0.01 -1.26 0.08 113.70 113.40 3h0t s SER 188 Ca 0.34 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.80 3h0t s SER 188 Cb 0.03 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.08 3h0t s SER 188 CO 0.20 0.04 -0.19 -0.55 0.41 0.00 0.00 173.24 173.15 3h0t s SER 189 N -2.53 2.65 0.18 2.44 0.15 -0.65 -1.14 113.70 114.79 3h0t s SER 189 Ca 0.16 -0.48 0.09 0.00 0.70 0.00 0.00 55.95 56.43 3h0t s SER 189 Cb -0.07 -1.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.98 3h0t s SER 189 CO 0.07 0.09 -0.13 0.54 1.20 0.00 0.00 173.24 175.01 3h0t s VAL 190 N 0.60 2.98 -0.02 4.45 0.11 0.25 -1.14 120.40 127.63 3h0t s VAL 190 Ca -0.14 -1.73 -0.03 0.00 -2.93 0.00 0.00 61.98 57.15 3h0t s VAL 190 Cb -0.17 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 3h0t s VAL 190 CO 0.04 -0.10 0.08 0.54 -3.33 0.00 0.00 175.10 172.34 3h0t s VAL 191 N -1.66 0.02 -0.16 2.04 0.11 -0.37 -0.10 120.40 120.27 3h0t s VAL 191 Ca 0.23 -0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3h0t s VAL 191 Cb -0.09 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 3h0t s VAL 191 CO 0.14 -0.08 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.91 3h0t s THR 192 N -0.23 4.04 0.12 5.04 2.01 -1.17 -1.03 115.64 124.42 3h0t s THR 192 Ca -0.03 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.67 3h0t s THR 192 Cb -0.02 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3h0t s THR 192 CO 0.00 0.49 -0.02 0.68 -0.69 0.00 0.00 174.62 175.08 3h0t s VAL 193 N 0.37 0.51 0.32 3.82 -7.23 -0.69 -4.72 120.40 112.79 3h0t s VAL 193 Ca -0.03 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 3h0t s VAL 193 Cb -0.14 -1.85 -0.11 0.00 0.56 0.00 0.00 36.38 34.85 3h0t s VAL 193 CO 0.02 -0.71 1.42 -2.84 -0.31 0.00 0.00 175.10 172.69 3h0t s PRO 194 N -3.91 4.24 0.53 4.82 0.02 -1.26 -1.15 135.00 138.28 3h0t s PRO 194 Ca 0.17 2.38 0.30 0.00 0.02 0.00 0.00 61.00 63.87 3h0t s PRO 194 Cb 0.06 -3.04 1.39 0.00 0.02 0.00 0.00 34.50 32.93 3h0t s PRO 194 CO -0.02 -0.39 2.01 0.66 -0.33 0.00 0.00 177.00 178.94 3h0t h SER 195 N 3.79 0.00 1.41 2.53 4.64 -1.51 -2.07 113.55 122.34 3h0t h SER 195 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h0t h SER 195 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h0t h SER 195 CO 0.69 0.10 0.00 0.77 -0.87 0.00 0.00 176.83 177.52 3h0t h SER 196 N 0.00 0.00 0.91 4.97 4.64 -1.89 -2.90 113.55 119.29 3h0t h SER 196 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h0t h SER 196 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3h0t h SER 196 CO 0.01 0.00 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.39 3h0t n SER 197 N -2.58 0.05 0.09 4.97 3.41 -0.78 -4.16 113.62 114.62 3h0t n SER 197 Ca 0.04 0.37 0.01 0.00 -0.26 0.00 0.00 58.87 59.02 3h0t n SER 197 Cb 0.40 -0.41 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 3h0t n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h0t h LEU 198 N 0.01 0.29 -1.76 1.04 4.07 -1.63 0.11 115.31 117.44 3h0t h LEU 198 Ca 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 3h0t h LEU 198 Cb 0.48 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3h0t h LEU 198 CO 0.00 0.48 -0.03 1.23 -1.08 0.00 0.00 178.44 179.03 3h0t h GLY 199 N 0.85 0.00 0.00 0.83 0.00 -1.81 -3.40 103.07 99.54 3h0t h GLY 199 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3h0t h GLY 199 CO 0.03 0.00 -0.09 -1.30 0.00 0.00 0.00 176.54 175.18 3h0t n THR 200 N -3.17 0.00 -3.84 4.70 -2.24 -0.49 -5.05 114.28 104.20 3h0t n THR 200 Ca -0.00 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3h0t n THR 200 Cb 0.27 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 3h0t n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3h0t s GLN 201 N -0.21 3.92 0.08 -0.78 2.00 0.27 -5.08 119.66 119.86 3h0t s GLN 201 Ca 0.00 -0.22 -0.30 0.00 -2.00 0.00 0.00 55.36 52.84 3h0t s GLN 201 Cb 0.00 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 3h0t s GLN 201 CO 0.00 0.44 0.96 0.99 -0.50 0.00 0.00 175.29 177.17 3h0t s THR 202 N -0.05 4.59 -0.15 -0.34 2.01 -1.26 -4.81 115.64 115.64 3h0t s THR 202 Ca 0.09 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.16 3h0t s THR 202 Cb -0.11 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.10 3h0t s THR 202 CO 0.00 0.28 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.71 3h0t s TYR 203 N 0.23 2.50 -0.11 4.92 2.02 -1.26 -4.97 117.35 120.68 3h0t s TYR 203 Ca 0.48 -1.35 0.01 0.00 -0.37 0.00 0.00 57.07 55.84 3h0t s TYR 203 Cb -0.23 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3h0t s TYR 203 CO 0.29 -0.66 -0.11 0.42 -1.57 0.00 0.00 175.55 173.92 3h0t s ILE 204 N 1.10 1.20 0.10 2.71 1.01 -1.26 -0.28 121.20 125.79 3h0t s ILE 204 Ca -0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 3h0t s ILE 204 Cb -0.14 -1.16 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 3h0t s ILE 204 CO -0.07 0.39 0.57 0.00 0.00 0.00 0.00 174.94 175.83 3h0t s ASN 206 N -1.32 4.70 -0.26 0.00 -0.87 0.05 -1.13 114.94 116.12 3h0t s ASN 206 Ca 0.32 -1.51 -0.09 0.00 -1.57 0.00 0.00 52.86 50.01 3h0t s ASN 206 Cb -0.18 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.25 39.37 3h0t s ASN 206 CO 0.19 -0.27 0.14 -0.69 -2.57 0.00 0.00 177.10 173.90 3h0t s VAL 207 N 1.13 4.94 -0.16 1.60 1.01 0.80 -1.33 120.40 128.38 3h0t s VAL 207 Ca -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3h0t s VAL 207 Cb -0.20 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3h0t s VAL 207 CO -0.04 0.30 -0.06 0.20 0.00 0.00 0.00 175.10 175.50 3h0t s ASN 208 N 1.57 4.52 -0.49 3.32 -0.87 0.21 -0.82 114.94 122.39 3h0t s ASN 208 Ca 0.07 -0.21 0.04 0.00 -1.57 0.00 0.00 52.86 51.18 3h0t s ASN 208 Cb -0.15 -1.73 0.16 0.00 -0.02 0.00 0.00 41.25 39.51 3h0t s ASN 208 CO 0.07 0.15 0.35 -2.28 -2.57 0.00 0.00 177.10 172.82 3h0t s HIS 209 N 0.49 1.86 0.22 2.20 2.46 -0.15 -1.40 115.29 120.98 3h0t s HIS 209 Ca -0.05 -2.56 -0.10 0.00 0.47 0.00 0.00 55.06 52.82 3h0t s HIS 209 Cb -0.15 -1.55 0.32 0.00 -0.13 0.00 0.00 32.58 31.08 3h0t s HIS 209 CO 0.03 -0.75 1.64 0.87 -2.47 0.00 0.00 174.74 174.07 3h0t h LYS 210 N 5.85 0.07 -0.84 2.88 1.57 -1.77 -1.91 116.57 122.42 3h0t h LYS 210 Ca 0.18 -0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.19 3h0t h LYS 210 Cb 0.88 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 3h0t h LYS 210 CO 0.47 0.05 0.60 -1.35 -0.57 0.00 0.00 179.45 178.65 3h0t h PRO 211 N 0.07 0.05 -0.45 3.15 0.11 -1.90 -0.29 132.00 132.74 3h0t h PRO 211 Ca 0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3h0t h PRO 211 Cb 0.57 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3h0t h PRO 211 CO -0.62 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 176.08 3h0t n SER 212 N -4.31 3.31 -3.84 -2.05 3.41 -0.93 -4.97 113.62 104.24 3h0t n SER 212 Ca 0.17 -2.06 -0.27 0.00 -0.26 0.00 0.00 58.87 56.45 3h0t n SER 212 Cb 0.88 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 3h0t n SER 212 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h0t n ASN 213 N 0.78 -3.43 -4.29 4.04 3.02 -0.12 -4.90 115.26 110.36 3h0t n ASN 213 Ca 0.16 -0.80 -0.30 0.00 -0.03 0.00 0.00 54.58 53.62 3h0t n ASN 213 Cb 0.52 -3.94 -0.16 0.00 -0.61 0.00 0.00 39.78 35.59 3h0t n ASN 213 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h0t s THR 214 N -3.45 1.93 -0.05 3.41 2.01 -0.77 -5.01 115.64 113.70 3h0t s THR 214 Ca 0.41 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3h0t s THR 214 Cb -0.21 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.70 3h0t s THR 214 CO 0.82 0.50 -0.12 -0.75 -0.69 0.00 0.00 174.62 174.38 3h0t s LYS 215 N -0.71 1.54 -0.11 4.92 2.20 -1.26 -0.97 119.74 125.34 3h0t s LYS 215 Ca 0.10 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 3h0t s LYS 215 Cb -0.09 -1.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.93 3h0t s LYS 215 CO -0.00 0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.93 3h0t s VAL 216 N 0.52 1.82 -0.16 4.02 1.01 0.00 -4.97 120.40 122.64 3h0t s VAL 216 Ca -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3h0t s VAL 216 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3h0t s VAL 216 CO 0.03 0.51 -0.00 -1.81 0.00 0.00 0.00 175.10 173.82 3h0t s ASP 217 N 0.67 5.11 -0.06 3.32 -0.00 -1.26 -0.14 116.67 124.31 3h0t s ASP 217 Ca -0.12 -0.04 -0.00 0.00 -0.00 0.00 0.00 52.55 52.38 3h0t s ASP 217 Cb -0.16 -1.83 0.03 0.00 -0.00 0.00 0.00 42.92 40.95 3h0t s ASP 217 CO 0.03 0.18 -0.01 -0.75 -0.00 0.00 0.00 175.17 174.61 3h0t s LYS 218 N 0.30 0.66 0.07 8.23 2.47 -0.28 -4.98 119.74 126.21 3h0t s LYS 218 Ca -0.01 0.03 -0.27 0.00 -1.56 0.00 0.00 55.97 54.16 3h0t s LYS 218 Cb -0.13 -0.90 -0.05 0.00 -1.46 0.00 0.00 37.83 35.29 3h0t s LYS 218 CO 0.02 -0.22 0.85 0.21 0.16 0.00 0.00 175.35 176.37 3h0t s LYS 219 N 1.56 4.58 -0.23 4.03 2.20 -1.26 -1.23 119.74 129.39 3h0t s LYS 219 Ca -0.01 1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.82 3h0t s LYS 219 Cb -0.13 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3h0t s LYS 219 CO -0.03 0.24 -0.09 0.08 -0.36 0.00 0.00 175.35 175.18 3h0t s VAL 220 N 0.02 2.75 0.29 4.02 1.01 0.62 -4.95 120.40 124.17 3h0t s VAL 220 Ca 0.42 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3h0t s VAL 220 Cb -0.22 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 3h0t s VAL 220 CO 0.26 0.30 -0.09 -1.83 0.00 0.00 0.00 175.10 173.74 3h0t s GLU 221 N 1.33 1.61 0.60 2.72 -1.05 -1.26 -4.39 118.70 118.26 3h0t s GLU 221 Ca 0.02 -1.81 -0.19 0.00 -0.15 0.00 0.00 54.97 52.84 3h0t s GLU 221 Cb -0.16 -1.36 -0.03 0.00 -0.44 0.00 0.00 34.13 32.15 3h0t s GLU 221 CO -0.06 0.11 1.27 -2.14 0.95 0.00 0.00 175.26 175.39 3h0t s PRO 222 N -3.67 2.85 0.00 -4.83 0.02 -1.26 -4.40 135.00 123.72 3h0t s PRO 222 Ca 0.30 2.01 0.31 0.00 0.02 0.00 0.00 61.00 63.63 3h0t s PRO 222 Cb 0.02 -1.97 1.69 0.00 0.02 0.00 0.00 34.50 34.26 3h0t s PRO 222 CO 0.13 -1.35 2.11 0.36 -0.33 0.00 0.00 177.00 177.92