#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4i s PHE 41 N 0.00 2.67 0.00 0.00 0.40 -1.26 -4.53 117.98 115.26 1s4i s PHE 41 Ca 0.00 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 1s4i s PHE 41 Cb 0.00 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1s4i s PHE 41 CO 0.00 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.06 1s4i n GLY 42 N 3.39 4.44 3.83 4.36 0.00 0.21 -4.83 105.19 116.58 1s4i n GLY 42 Ca -0.18 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1s4i n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s4i n HIS 43 N 0.00 -1.82 -1.60 1.61 8.25 -1.26 -0.49 115.22 119.91 1s4i n HIS 43 Ca 0.00 0.80 -0.54 0.00 -0.26 0.00 0.00 57.72 57.72 1s4i n HIS 43 Cb 0.00 -4.07 -0.07 0.00 1.12 0.00 0.00 29.99 26.98 1s4i n HIS 43 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1s4i n HIS 44 N -4.35 1.44 -5.06 4.41 -0.00 -1.26 -4.54 115.22 105.86 1s4i n HIS 44 Ca -0.28 0.71 -0.29 0.00 0.46 0.00 0.00 57.72 58.32 1s4i n HIS 44 Cb 0.67 -2.31 -0.16 0.00 -0.12 0.00 0.00 29.99 28.07 1s4i n HIS 44 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1s4i s VAL 45 N 0.87 1.78 -0.01 3.57 -7.23 0.43 -4.97 120.40 114.84 1s4i s VAL 45 Ca 0.88 -0.90 -0.23 0.00 -1.81 0.00 0.00 61.98 59.92 1s4i s VAL 45 Cb -1.04 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1s4i s VAL 45 CO 0.52 0.50 0.71 -1.10 -0.31 0.00 0.00 175.10 175.42 1s4i s GLN 46 N 0.07 4.44 -0.10 4.82 -1.52 -1.26 -1.05 119.66 125.06 1s4i s GLN 46 Ca -0.08 0.93 -0.15 0.00 -1.95 0.00 0.00 55.36 54.12 1s4i s GLN 46 Cb -0.14 -3.39 -0.05 0.00 -0.22 0.00 0.00 33.01 29.21 1s4i s GLN 46 CO 0.04 0.22 0.36 -0.51 -0.25 0.00 0.00 175.29 175.15 1s4i s LEU 47 N 0.24 4.34 0.08 2.90 1.43 -0.45 -4.19 118.68 123.03 1s4i s LEU 47 Ca 0.37 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 1s4i s LEU 47 Cb -0.19 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1s4i s LEU 47 CO 0.20 0.17 -0.22 0.68 0.23 0.00 0.00 176.35 177.41 1s4i s VAL 48 N -0.11 1.84 0.60 -1.59 -7.23 -0.37 -1.28 120.40 112.25 1s4i s VAL 48 Ca 0.21 -1.44 0.09 0.00 -1.81 0.00 0.00 61.98 59.02 1s4i s VAL 48 Cb -0.15 -1.62 0.09 0.00 0.56 0.00 0.00 36.38 35.26 1s4i s VAL 48 CO 0.08 0.11 0.82 0.54 -0.31 0.00 0.00 175.10 176.35 1s4i s ASN 49 N -1.60 4.99 0.66 4.85 2.20 -0.95 0.08 114.94 125.17 1s4i s ASN 49 Ca 0.09 -0.81 0.35 0.00 -0.94 0.00 0.00 52.86 51.55 1s4i s ASN 49 Cb -0.10 0.30 1.92 0.00 -2.00 0.00 0.00 41.25 41.38 1s4i s ASN 49 CO 0.03 -1.43 2.10 0.03 -2.94 0.00 0.00 177.10 174.90 1s4i h ARG 50 N 0.08 0.00 -0.54 3.55 3.08 -1.76 0.34 114.38 119.12 1s4i h ARG 50 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1s4i h ARG 50 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1s4i h ARG 50 CO 0.40 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.39 1s4i n GLU 51 N -3.07 4.35 -1.07 0.04 2.13 -1.26 -4.68 120.64 117.08 1s4i n GLU 51 Ca -0.02 -3.05 -0.07 0.00 0.66 0.00 0.00 57.16 54.68 1s4i n GLU 51 Cb 0.27 -2.12 -0.03 0.00 0.27 0.00 0.00 31.44 29.83 1s4i n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s4i n GLY 52 N 0.56 0.71 3.74 8.31 0.00 0.12 -5.00 105.19 113.63 1s4i n GLY 52 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1s4i n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4i s LYS 53 N -2.35 4.58 0.08 1.61 2.20 -1.26 -4.75 119.74 119.86 1s4i s LYS 53 Ca 0.00 1.78 -0.31 0.00 -0.36 0.00 0.00 55.97 57.08 1s4i s LYS 53 Cb 0.00 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 1s4i s LYS 53 CO 0.00 0.08 1.70 0.00 -0.36 0.00 0.00 175.35 176.77 1s4i s ALA 54 N -0.47 3.70 -0.02 3.13 0.00 -1.26 -2.23 121.76 124.61 1s4i s ALA 54 Ca 0.49 1.26 0.17 0.00 0.00 0.00 0.00 51.96 53.88 1s4i s ALA 54 Cb -0.31 -3.72 0.31 0.00 0.00 0.00 0.00 23.12 19.40 1s4i s ALA 54 CO 0.37 -1.15 1.13 1.33 0.00 0.00 0.00 175.76 177.43 1s4i n VAL 55 N 4.77 0.27 0.00 0.00 0.24 -0.41 -4.98 118.33 118.22 1s4i n VAL 55 Ca 0.16 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1s4i n VAL 55 Cb 0.40 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1s4i n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s4i n GLY 56 N 0.14 0.56 3.68 7.63 0.00 -1.25 -1.39 105.19 114.56 1s4i n GLY 56 Ca 0.06 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1s4i n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s4i s PHE 57 N -2.02 -0.04 0.04 1.61 -0.71 -0.38 -1.34 117.98 115.15 1s4i s PHE 57 Ca 0.00 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1s4i s PHE 57 Cb 0.00 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 1s4i s PHE 57 CO 0.00 -1.08 -0.11 0.42 -1.34 0.00 0.00 175.22 173.11 1s4i s ILE 58 N -3.93 0.85 0.17 -4.49 1.01 -0.21 -1.30 121.20 113.29 1s4i s ILE 58 Ca 0.13 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1s4i s ILE 58 Cb -0.03 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1s4i s ILE 58 CO 0.04 -0.16 0.03 -1.61 0.00 0.00 0.00 174.94 173.24 1s4i s GLU 59 N -1.30 1.07 -0.01 2.79 2.02 -0.28 -0.43 118.70 122.56 1s4i s GLU 59 Ca -0.03 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1s4i s GLU 59 Cb -0.08 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.06 1s4i s GLU 59 CO 0.01 -0.19 -0.01 0.42 0.02 0.00 0.00 175.26 175.52 1s4i s ILE 60 N -3.80 0.12 -0.05 -1.63 1.01 0.35 -0.86 121.20 116.34 1s4i s ILE 60 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.96 1s4i s ILE 60 Cb 0.07 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.38 1s4i s ILE 60 CO 0.04 0.07 -0.22 -0.75 0.00 0.00 0.00 174.94 174.08 1s4i s LYS 61 N 0.33 2.22 -0.37 2.79 2.20 -0.26 -0.62 119.74 126.02 1s4i s LYS 61 Ca -0.03 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.51 1s4i s LYS 61 Cb -0.05 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1s4i s LYS 61 CO -0.01 0.33 1.30 -1.21 -0.36 0.00 0.00 175.35 175.40 1s4i s GLU 62 N -0.10 3.77 0.31 4.03 2.02 -1.26 -0.46 118.70 127.01 1s4i s GLU 62 Ca -0.03 1.00 -0.08 0.00 0.02 0.00 0.00 54.97 55.89 1s4i s GLU 62 Cb -0.13 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.12 1s4i s GLU 62 CO 0.03 -1.31 0.62 -1.54 0.02 0.00 0.00 175.26 173.08 1s4i s SER 63 N 3.06 6.51 -0.66 -0.19 1.04 -0.68 -4.87 113.70 117.92 1s4i s SER 63 Ca 0.56 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.88 1s4i s SER 63 Cb -0.14 -2.21 0.16 0.00 0.10 0.00 0.00 66.02 63.93 1s4i s SER 63 CO 0.27 -0.23 0.46 -1.81 0.98 0.00 0.00 173.24 172.91 1s4i s ASP 64 N -2.99 5.01 0.00 7.02 -0.00 -1.26 -4.53 116.67 119.92 1s4i s ASP 64 Ca 0.47 -3.25 0.00 0.00 -0.00 0.00 0.00 52.55 49.77 1s4i s ASP 64 Cb -0.11 -1.76 0.00 0.00 -0.00 0.00 0.00 42.92 41.05 1s4i s ASP 64 CO 0.28 -0.24 0.00 -0.90 -0.00 0.00 0.00 175.17 174.31 1s4i n ASP 65 N 2.88 0.00 -4.09 0.27 5.68 -1.26 -5.16 116.55 114.87 1s4i n ASP 65 Ca 0.12 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.14 1s4i n ASP 65 Cb 0.35 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 1s4i n ASP 65 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1s4i n GLU 66 N -0.23 0.73 0.00 0.11 0.00 -1.26 -5.16 120.64 114.82 1s4i n GLU 66 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 57.16 53.83 1s4i n GLU 66 Cb 0.00 1.35 0.00 0.00 0.00 0.00 0.00 31.44 32.79 1s4i n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s4i n GLY 67 N -0.62 0.45 3.20 -1.84 0.00 -1.26 -4.46 105.19 100.67 1s4i n GLY 67 Ca -0.12 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1s4i n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4i s LEU 68 N 0.00 2.18 -0.13 0.99 1.43 -0.42 -1.68 118.68 121.05 1s4i s LEU 68 Ca 0.00 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1s4i s LEU 68 Cb 0.00 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 1s4i s LEU 68 CO 0.00 0.10 0.27 -1.81 0.23 0.00 0.00 176.35 175.14 1s4i s ASP 69 N -1.20 6.48 -0.22 2.29 1.01 0.39 -0.13 116.67 125.28 1s4i s ASP 69 Ca 0.05 0.56 -0.01 0.00 0.71 0.00 0.00 52.55 53.85 1s4i s ASP 69 Cb -0.08 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1s4i s ASP 69 CO 0.02 0.21 -0.10 -0.63 0.21 0.00 0.00 175.17 174.88 1s4i s ILE 70 N -0.10 2.78 -0.27 0.77 1.01 0.13 -1.11 121.20 124.40 1s4i s ILE 70 Ca 0.17 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1s4i s ILE 70 Cb -0.13 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1s4i s ILE 70 CO 0.05 0.36 0.22 -2.28 0.00 0.00 0.00 174.94 173.29 1s4i s HIS 71 N 1.36 3.23 -0.11 3.97 5.65 -0.04 -0.76 115.29 128.58 1s4i s HIS 71 Ca 0.03 0.18 0.02 0.00 0.25 0.00 0.00 55.06 55.54 1s4i s HIS 71 Cb -0.15 -2.40 0.01 0.00 -1.18 0.00 0.00 32.58 28.86 1s4i s HIS 71 CO -0.07 -0.15 -0.17 -1.50 -0.65 0.00 0.00 174.74 172.20 1s4i s ILE 72 N 1.76 1.67 -0.28 0.89 2.07 -0.56 -1.12 121.20 125.62 1s4i s ILE 72 Ca 0.08 -0.75 -0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1s4i s ILE 72 Cb -0.16 -1.50 0.09 0.00 0.13 0.00 0.00 42.46 41.02 1s4i s ILE 72 CO 0.10 0.47 0.10 -0.55 -1.91 0.00 0.00 174.94 173.16 1s4i s SER 73 N 0.88 3.65 0.22 4.50 0.15 -0.42 -1.13 113.70 121.56 1s4i s SER 73 Ca -0.08 -1.37 0.10 0.00 0.70 0.00 0.00 55.95 55.29 1s4i s SER 73 Cb -0.15 -0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 63.51 1s4i s SER 73 CO -0.01 -0.41 -0.18 0.00 1.20 0.00 0.00 173.24 173.84 1s4i s ALA 74 N 1.86 2.30 0.33 5.45 0.00 0.02 -1.25 121.76 130.46 1s4i s ALA 74 Ca 0.08 -1.69 0.07 0.00 0.00 0.00 0.00 51.96 50.41 1s4i s ALA 74 Cb -0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1s4i s ALA 74 CO -0.28 0.20 0.26 0.54 0.00 0.00 0.00 175.76 176.49 1s4i s ASN 75 N -3.19 1.67 -1.16 0.00 4.22 -0.49 -0.60 114.94 115.40 1s4i s ASN 75 Ca 0.23 -1.74 -0.00 0.00 -2.14 0.00 0.00 52.86 49.22 1s4i s ASN 75 Cb -0.04 0.55 0.00 0.00 1.28 0.00 0.00 41.25 43.04 1s4i s ASN 75 CO 0.10 -1.04 0.02 -1.20 -2.04 0.00 0.00 177.10 172.94 1s4i n SER 76 N -1.47 -4.23 -4.84 3.54 7.64 -1.10 -4.88 113.62 108.28 1s4i n SER 76 Ca 0.06 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1s4i n SER 76 Cb 0.63 -3.38 -0.04 0.00 -1.01 0.00 0.00 64.21 60.40 1s4i n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s4i s LEU 77 N -3.95 3.39 -0.22 -3.43 1.43 -0.54 -5.07 118.68 110.30 1s4i s LEU 77 Ca 0.01 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 1s4i s LEU 77 Cb -0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1s4i s LEU 77 CO 0.01 -0.55 1.63 -0.60 0.23 0.00 0.00 176.35 177.07 1s4i s ARG 78 N -4.05 3.79 -0.07 1.70 3.52 -1.26 -4.39 118.95 118.18 1s4i s ARG 78 Ca 0.45 1.67 -0.37 0.00 -0.13 0.00 0.00 55.73 57.35 1s4i s ARG 78 Cb -0.03 -4.04 -0.15 0.00 -1.56 0.00 0.00 34.95 29.17 1s4i s ARG 78 CO 0.27 -1.30 1.63 -2.30 -0.81 0.00 0.00 175.30 172.78 1s4i n PRO 79 N 7.68 1.50 -0.96 5.12 -0.02 -1.26 -1.48 135.00 145.58 1s4i n PRO 79 Ca 0.19 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1s4i n PRO 79 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1s4i n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4i n GLY 80 N 3.64 0.68 3.85 -1.23 0.00 -0.23 -4.93 105.19 106.97 1s4i n GLY 80 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1s4i n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4i s ALA 81 N -2.87 3.19 -0.17 4.61 0.00 -0.55 -4.68 121.76 121.29 1s4i s ALA 81 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1s4i s ALA 81 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1s4i s ALA 81 CO 0.00 -0.05 0.35 -1.12 0.00 0.00 0.00 175.76 174.93 1s4i s SER 82 N -2.91 6.45 -0.04 0.00 0.01 -1.26 -0.97 113.70 114.98 1s4i s SER 82 Ca 0.56 0.53 0.04 0.00 1.31 0.00 0.00 55.95 58.39 1s4i s SER 82 Cb -0.10 -2.21 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 1s4i s SER 82 CO 0.28 0.02 -0.16 -0.76 0.41 0.00 0.00 173.24 173.03 1s4i s LEU 83 N 0.81 1.91 0.48 2.44 1.43 -0.43 -1.92 118.68 123.40 1s4i s LEU 83 Ca 0.18 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.72 1s4i s LEU 83 Cb -0.14 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 1s4i s LEU 83 CO 0.06 0.15 1.24 0.61 0.23 0.00 0.00 176.35 178.64 1s4i n GLY 84 N 3.11 0.45 3.24 -3.19 0.00 0.12 -0.50 105.19 108.42 1s4i n GLY 84 Ca -0.18 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1s4i n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s4i s PHE 85 N -1.27 -0.84 0.06 1.61 5.36 -1.26 -0.96 117.98 120.68 1s4i s PHE 85 Ca 0.66 1.48 -0.03 0.00 -0.96 0.00 0.00 56.93 58.08 1s4i s PHE 85 Cb -0.47 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.47 1s4i s PHE 85 CO 0.54 -0.53 0.02 -1.01 -1.46 0.00 0.00 175.22 172.78 1s4i s HIS 86 N 2.62 0.44 -0.19 10.12 3.76 -0.83 -3.10 115.29 128.11 1s4i s HIS 86 Ca 0.00 -0.97 -0.08 0.00 -0.15 0.00 0.00 55.06 53.86 1s4i s HIS 86 Cb -0.12 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1s4i s HIS 86 CO -0.14 -0.42 0.09 0.42 -0.85 0.00 0.00 174.74 173.85 1s4i s ILE 87 N -3.91 5.02 0.31 0.60 1.01 0.13 -1.55 121.20 122.80 1s4i s ILE 87 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.85 1s4i s ILE 87 Cb 0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1s4i s ILE 87 CO -0.10 0.45 0.08 -0.31 0.00 0.00 0.00 174.94 175.05 1s4i s TYR 88 N 0.42 2.71 -2.30 3.97 2.02 0.45 -0.71 117.35 123.90 1s4i s TYR 88 Ca 0.05 -0.31 0.24 0.00 -0.37 0.00 0.00 57.07 56.68 1s4i s TYR 88 Cb -0.12 -1.44 0.97 0.00 -0.40 0.00 0.00 41.96 40.98 1s4i s TYR 88 CO -0.00 0.47 1.68 -0.85 -1.57 0.00 0.00 175.55 175.28 1s4i n GLU 89 N -1.03 1.58 -4.13 -0.62 0.28 -1.23 -1.24 120.64 114.24 1s4i n GLU 89 Ca -0.05 -0.86 -0.17 0.00 -0.16 0.00 0.00 57.16 55.92 1s4i n GLU 89 Cb 0.60 -1.42 -0.15 0.00 1.43 0.00 0.00 31.44 31.90 1s4i n GLU 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s4i s LYS 90 N -1.90 0.55 -1.39 3.44 1.02 -1.25 -4.58 119.74 115.63 1s4i s LYS 90 Ca 0.35 -0.12 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 1s4i s LYS 90 Cb 0.19 -0.57 0.06 0.00 -0.52 0.00 0.00 37.83 36.98 1s4i s LYS 90 CO 0.29 0.01 2.02 0.41 -0.92 0.00 0.00 175.35 177.16 1s4i n GLY 91 N 3.51 3.74 3.03 -3.33 0.00 -0.50 -3.43 105.19 108.20 1s4i n GLY 91 Ca -0.20 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1s4i n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s4i s SER 92 N 3.49 0.30 -0.53 1.61 0.15 -1.26 -4.77 113.70 112.70 1s4i s SER 92 Ca 0.49 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.70 1s4i s SER 92 Cb 0.10 0.89 0.14 0.00 -1.71 0.00 0.00 66.02 65.44 1s4i s SER 92 CO -0.02 -0.26 0.29 0.00 1.20 0.00 0.00 173.24 174.45 1s4i s VAL 94 N -0.05 2.83 0.27 0.00 1.01 -1.25 -5.03 120.40 118.19 1s4i s VAL 94 Ca 0.16 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1s4i s VAL 94 Cb -0.23 -2.40 -0.15 0.00 0.00 0.00 0.00 36.38 33.60 1s4i s VAL 94 CO -0.02 0.26 0.28 0.54 0.00 0.00 0.00 175.10 176.15 1s4i n ARG 95 N 4.67 0.00 -0.00 2.72 1.74 -1.26 -1.58 116.66 122.96 1s4i n ARG 95 Ca -0.17 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.92 1s4i n ARG 95 Cb 0.48 -0.91 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 1s4i n ARG 95 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1s4i n PRO 96 N 1.07 2.41 0.00 5.56 -0.04 -1.26 -4.58 135.00 138.15 1s4i n PRO 96 Ca 0.13 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1s4i n PRO 96 Cb 0.30 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1s4i n PRO 96 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s4i n ASP 97 N -1.39 0.00 -1.17 3.54 8.00 -1.26 -4.46 116.55 119.81 1s4i n ASP 97 Ca -0.00 -0.19 -0.00 0.00 0.71 0.00 0.00 54.79 55.31 1s4i n ASP 97 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1s4i n ASP 97 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1s4i n PHE 98 N 1.51 -0.66 0.28 1.24 3.72 -0.61 -4.44 117.46 118.49 1s4i n PHE 98 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1s4i n PHE 98 Cb 0.00 -0.33 0.31 0.00 -0.94 0.00 0.00 39.48 38.52 1s4i n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1s4i h GLU 99 N -0.00 0.00 -2.28 -1.08 4.39 -1.92 -3.36 114.58 110.32 1s4i h GLU 99 Ca -0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.08 1s4i h GLU 99 Cb 0.33 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.58 1s4i h GLU 99 CO 0.00 0.00 -0.46 -1.13 -1.16 0.00 0.00 179.01 176.26 1s4i n SER 100 N -2.99 4.69 0.00 1.42 3.41 -1.26 -4.24 113.62 114.64 1s4i n SER 100 Ca 0.03 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 1s4i n SER 100 Cb 0.46 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1s4i n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4i n ALA 101 N -0.06 0.00 -2.36 7.33 0.00 -0.88 -3.86 120.51 120.68 1s4i n ALA 101 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1s4i n ALA 101 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1s4i n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4i n GLY 102 N 0.00 1.35 0.80 0.00 0.00 -1.26 -4.44 105.19 101.65 1s4i n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s4i n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4i n GLY 103 N 5.00 -4.06 3.77 -0.02 0.00 -1.26 -4.77 105.19 103.85 1s4i n GLY 103 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1s4i n GLY 103 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s4i s PRO 104 N -3.11 4.13 -0.29 1.61 0.02 -1.26 -3.55 135.00 132.56 1s4i s PRO 104 Ca 0.00 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 1s4i s PRO 104 Cb 0.00 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 1s4i s PRO 104 CO 0.00 -0.54 1.69 0.12 -0.33 0.00 0.00 177.00 177.95 1s4i s PHE 105 N -0.80 1.97 -0.41 6.54 2.19 0.11 -4.42 117.98 123.17 1s4i s PHE 105 Ca 0.55 0.58 0.10 0.00 0.33 0.00 0.00 56.93 58.49 1s4i s PHE 105 Cb -0.46 -4.09 0.35 0.00 -1.31 0.00 0.00 43.02 37.50 1s4i s PHE 105 CO 0.58 -2.90 0.96 -1.71 1.83 0.00 0.00 175.22 173.98 1s4i n ASN 106 N 9.37 -0.68 0.14 6.13 5.15 -1.26 -1.89 115.26 132.22 1s4i n ASN 106 Ca 0.21 -3.25 0.12 0.00 -0.60 0.00 0.00 54.58 51.06 1s4i n ASN 106 Cb 0.46 0.59 0.50 0.00 -0.53 0.00 0.00 39.78 40.80 1s4i n ASN 106 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1s4i n PRO 107 N 0.23 0.21 -0.44 1.20 -0.04 -1.26 -2.16 135.00 132.73 1s4i n PRO 107 Ca 0.14 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 1s4i n PRO 107 Cb 0.70 -1.89 0.29 0.00 -0.04 0.00 0.00 33.50 32.56 1s4i n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s4i n LEU 108 N -2.28 3.73 -3.67 1.53 4.32 -1.26 -4.98 117.00 114.39 1s4i n LEU 108 Ca 0.02 -1.88 -0.25 0.00 -0.02 0.00 0.00 56.01 53.88 1s4i n LEU 108 Cb 0.24 -0.48 0.01 0.00 -1.62 0.00 0.00 43.42 41.56 1s4i n LEU 108 CO 0.20 0.73 -0.16 -3.20 -1.22 0.00 0.00 177.39 173.74 1s4i n ASN 109 N 1.03 -3.20 -4.88 -1.43 5.15 -0.92 -4.99 115.26 106.02 1s4i n ASN 109 Ca 0.21 -0.81 -0.26 0.00 -0.60 0.00 0.00 54.58 53.12 1s4i n ASN 109 Cb 0.67 -1.13 -0.02 0.00 -0.53 0.00 0.00 39.78 38.77 1s4i n ASN 109 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1s4i s LYS 110 N -5.27 2.27 0.34 1.20 1.02 -1.26 -5.06 119.74 112.99 1s4i s LYS 110 Ca 0.15 -1.99 0.03 0.00 0.02 0.00 0.00 55.97 54.18 1s4i s LYS 110 Cb -0.08 -2.08 0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1s4i s LYS 110 CO 0.67 -0.54 0.47 -0.85 -0.92 0.00 0.00 175.35 174.18 1s4i n GLU 111 N -1.69 0.59 -2.39 1.68 0.28 -0.60 -4.74 120.64 113.77 1s4i n GLU 111 Ca -0.02 -1.63 -0.41 0.00 -0.16 0.00 0.00 57.16 54.94 1s4i n GLU 111 Cb 0.64 -0.21 -0.03 0.00 1.43 0.00 0.00 31.44 33.27 1s4i n GLU 111 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1s4i s HIS 112 N -1.17 3.45 0.00 -1.84 5.65 -1.26 -0.77 115.29 119.34 1s4i s HIS 112 Ca 0.34 1.45 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1s4i s HIS 112 Cb -0.02 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 1s4i s HIS 112 CO 0.22 -1.13 0.00 0.41 -0.65 0.00 0.00 174.74 173.60 1s4i n GLY 113 N 2.16 2.92 0.39 1.59 0.00 -1.26 -4.40 105.19 106.59 1s4i n GLY 113 Ca 0.04 -1.46 0.19 0.00 0.00 0.00 0.00 46.02 44.79 1s4i n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1s4i h PHE 114 N 0.00 0.29 0.00 1.61 0.05 -1.91 -2.54 116.94 114.43 1s4i h PHE 114 Ca 0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1s4i h PHE 114 Cb 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 37.86 1s4i h PHE 114 CO 0.00 0.10 -0.86 0.09 -0.18 0.00 0.00 178.31 177.46 1s4i n ASN 115 N -4.43 0.71 -4.68 2.17 4.13 0.60 -4.86 115.26 108.90 1s4i n ASN 115 Ca 0.14 -0.53 -0.42 0.00 1.68 0.00 0.00 54.58 55.45 1s4i n ASN 115 Cb 0.63 0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 39.56 1s4i n ASN 115 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1s4i s ASN 116 N -3.26 6.97 0.67 6.41 3.84 -0.96 -4.90 114.94 123.70 1s4i s ASN 116 Ca 0.08 1.86 0.40 0.00 0.21 0.00 0.00 52.86 55.40 1s4i s ASN 116 Cb 0.16 -2.55 2.17 0.00 -0.55 0.00 0.00 41.25 40.48 1s4i s ASN 116 CO 0.80 -0.67 2.23 -0.65 -2.79 0.00 0.00 177.10 176.02 1s4i h PRO 117 N 7.80 0.00 -0.35 0.43 0.11 -1.89 -0.53 132.00 137.58 1s4i h PRO 117 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s4i h PRO 117 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s4i h PRO 117 CO 0.91 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.37 1s4i n MET 118 N -3.05 3.11 -2.91 1.05 2.81 -1.26 -4.98 117.12 111.89 1s4i n MET 118 Ca -0.03 -2.63 -0.36 0.00 -1.81 0.00 0.00 57.70 52.88 1s4i n MET 118 Cb 0.17 -1.70 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 1s4i n MET 118 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s4i s GLY 119 N -1.48 2.67 0.00 3.03 0.00 -0.21 -1.55 107.32 109.79 1s4i s GLY 119 Ca 0.38 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1s4i s GLY 119 CO 0.13 0.76 0.00 1.57 0.00 0.00 0.00 173.10 175.56 1s4i n HIS 120 N 0.44 0.00 -2.13 1.90 -0.00 0.05 -4.81 115.22 110.66 1s4i n HIS 120 Ca 0.01 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.82 1s4i n HIS 120 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 1s4i n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1s4i s HIS 121 N 0.00 2.75 0.45 1.57 3.76 -1.03 -4.70 115.29 118.10 1s4i s HIS 121 Ca 0.00 1.49 0.20 0.00 -0.15 0.00 0.00 55.06 56.60 1s4i s HIS 121 Cb 0.00 -3.50 1.22 0.00 1.11 0.00 0.00 32.58 31.41 1s4i s HIS 121 CO 0.00 -1.86 2.04 0.00 -0.85 0.00 0.00 174.74 174.08 1s4i h ALA 122 N 2.02 1.55 -0.06 -1.40 0.00 -1.87 -2.34 119.26 117.16 1s4i h ALA 122 Ca -0.50 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1s4i h ALA 122 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s4i h ALA 122 CO 0.60 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1s4i n GLY 123 N -0.94 -0.18 3.67 0.00 0.00 -0.79 -4.56 105.19 102.39 1s4i n GLY 123 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1s4i n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s4i s ASP 124 N -1.83 6.91 0.26 1.61 -0.00 -0.88 0.21 116.67 122.95 1s4i s ASP 124 Ca 0.37 1.85 0.10 0.00 -0.00 0.00 0.00 52.55 54.87 1s4i s ASP 124 Cb 0.19 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 1s4i s ASP 124 CO 0.31 -0.74 -0.16 -0.76 -0.00 0.00 0.00 175.17 173.81 1s4i s LEU 125 N 3.15 2.58 0.75 1.23 1.43 -1.18 -4.99 118.68 121.65 1s4i s LEU 125 Ca 0.59 -1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 1s4i s LEU 125 Cb -0.25 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.11 1s4i s LEU 125 CO 0.20 -0.08 1.22 -2.84 0.23 0.00 0.00 176.35 175.08 1s4i s PRO 126 N -3.58 1.97 0.56 1.29 0.02 -1.26 -4.46 135.00 129.53 1s4i s PRO 126 Ca 0.27 1.82 -0.20 0.00 0.02 0.00 0.00 61.00 62.91 1s4i s PRO 126 Cb -0.02 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 1s4i s PRO 126 CO 0.12 -1.98 1.15 0.09 -0.33 0.00 0.00 177.00 176.05 1s4i n ASN 127 N -2.85 1.68 -4.82 2.53 5.03 -1.26 -4.48 115.26 111.09 1s4i n ASN 127 Ca 0.14 0.90 -0.37 0.00 0.87 0.00 0.00 54.58 56.12 1s4i n ASN 127 Cb 0.50 -1.47 -0.06 0.00 -1.02 0.00 0.00 39.78 37.73 1s4i n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1s4i s LEU 128 N -2.55 4.42 -0.29 3.41 1.43 0.35 -4.84 118.68 120.61 1s4i s LEU 128 Ca 0.73 1.29 -0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1s4i s LEU 128 Cb -0.43 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1s4i s LEU 128 CO 0.49 0.15 0.03 -1.61 0.23 0.00 0.00 176.35 175.64 1s4i s GLU 129 N -1.62 2.81 0.09 1.70 8.01 -1.26 -1.31 118.70 127.11 1s4i s GLU 129 Ca 0.36 -1.03 -0.25 0.00 0.01 0.00 0.00 54.97 54.06 1s4i s GLU 129 Cb -0.18 -3.26 -0.06 0.00 -4.31 0.00 0.00 34.13 26.33 1s4i s GLU 129 CO 0.20 -0.51 0.78 0.08 0.01 0.00 0.00 175.26 175.83 1s4i s VAL 130 N 1.39 4.60 0.98 2.63 1.01 -0.14 -4.78 120.40 126.09 1s4i s VAL 130 Ca -0.00 1.69 -0.13 0.00 0.00 0.00 0.00 61.98 63.53 1s4i s VAL 130 Cb -0.18 -4.14 0.18 0.00 0.00 0.00 0.00 36.38 32.24 1s4i s VAL 130 CO 0.00 0.41 1.13 -0.83 0.00 0.00 0.00 175.10 175.81 1s4i s GLY 131 N -0.39 1.58 0.27 4.51 0.00 -0.31 -1.06 107.32 111.92 1s4i s GLY 131 Ca 0.38 -0.58 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 1s4i s GLY 131 CO 0.24 0.06 1.92 0.00 0.00 0.00 0.00 173.10 175.32 1s4i h ALA 132 N -1.78 1.30 -0.16 3.20 0.00 -1.92 -1.49 119.26 118.41 1s4i h ALA 132 Ca -0.51 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1s4i h ALA 132 Cb 1.32 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1s4i h ALA 132 CO 0.56 0.62 0.08 -0.25 0.00 0.00 0.00 179.25 180.26 1s4i n ASP 133 N -4.37 0.05 -0.14 0.00 10.43 -1.26 -4.71 116.55 116.54 1s4i n ASP 133 Ca 0.10 0.26 -0.02 0.00 2.57 0.00 0.00 54.79 57.70 1s4i n ASP 133 Cb 0.05 -0.12 -0.01 0.00 1.84 0.00 0.00 41.12 42.87 1s4i n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s4i n GLY 134 N -1.04 0.54 3.52 0.44 0.00 -0.63 -4.80 105.19 103.21 1s4i n GLY 134 Ca 0.06 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1s4i n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4i s LYS 135 N -1.71 1.82 0.00 1.61 1.02 -1.26 -1.47 119.74 119.75 1s4i s LYS 135 Ca 0.00 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.25 1s4i s LYS 135 Cb 0.00 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1s4i s LYS 135 CO 0.00 0.28 -0.05 0.54 -0.92 0.00 0.00 175.35 175.20 1s4i s VAL 136 N -2.51 0.42 -0.43 3.17 0.11 0.23 -1.16 120.40 120.23 1s4i s VAL 136 Ca 0.31 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 1s4i s VAL 136 Cb -0.03 -0.37 0.18 0.00 -1.53 0.00 0.00 36.38 34.62 1s4i s VAL 136 CO 0.16 0.07 0.57 -0.62 -3.33 0.00 0.00 175.10 171.95 1s4i s ASP 137 N -0.25 -0.57 0.13 3.54 2.15 -1.25 -0.80 116.67 119.62 1s4i s ASP 137 Ca 0.01 -1.44 -0.04 0.00 0.43 0.00 0.00 52.55 51.52 1s4i s ASP 137 Cb -0.03 1.38 -0.03 0.00 -0.30 0.00 0.00 42.92 43.95 1s4i s ASP 137 CO -0.00 -0.16 0.11 0.68 -0.17 0.00 0.00 175.17 175.63 1s4i s VAL 138 N 1.33 0.11 -0.09 1.11 -7.23 -0.28 -4.99 120.40 110.36 1s4i s VAL 138 Ca 0.21 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1s4i s VAL 138 Cb -0.05 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1s4i s VAL 138 CO -0.06 -0.51 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.45 1s4i s ILE 139 N -4.00 2.97 0.13 -0.62 1.09 -1.26 -1.50 121.20 118.02 1s4i s ILE 139 Ca 0.19 -0.73 0.05 0.00 -1.10 0.00 0.00 60.65 59.06 1s4i s ILE 139 Cb 0.06 -2.20 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 1s4i s ILE 139 CO -0.01 0.56 -0.12 0.00 -0.10 0.00 0.00 174.94 175.27 1s4i s MET 140 N -0.18 1.02 -0.09 2.79 0.23 0.06 -4.93 119.30 118.18 1s4i s MET 140 Ca -0.00 -1.33 -0.06 0.00 -1.03 0.00 0.00 55.69 53.27 1s4i s MET 140 Cb -0.13 -0.72 -0.04 0.00 -1.53 0.00 0.00 34.83 32.40 1s4i s MET 140 CO 0.03 0.11 0.13 1.21 -2.03 0.00 0.00 175.02 174.48 1s4i s ASN 141 N -2.80 6.25 -0.52 -1.18 3.84 -1.26 0.17 114.94 119.44 1s4i s ASN 141 Ca 0.12 0.41 0.04 0.00 0.21 0.00 0.00 52.86 53.63 1s4i s ASN 141 Cb -0.01 -1.99 0.14 0.00 -0.55 0.00 0.00 41.25 38.84 1s4i s ASN 141 CO 0.02 0.38 0.29 0.00 -2.79 0.00 0.00 177.10 174.99 1s4i s ALA 142 N -1.07 3.06 0.21 1.71 0.00 0.81 -4.95 121.76 121.53 1s4i s ALA 142 Ca 0.17 -3.17 0.36 0.00 0.00 0.00 0.00 51.96 49.32 1s4i s ALA 142 Cb -0.12 -2.08 1.62 0.00 0.00 0.00 0.00 23.12 22.54 1s4i s ALA 142 CO 0.07 -2.04 2.07 -1.00 0.00 0.00 0.00 175.76 174.85 1s4i h PRO 143 N 6.38 0.00 -1.16 0.00 0.13 -1.79 -1.09 132.00 134.47 1s4i h PRO 143 Ca -0.03 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.44 1s4i h PRO 143 Cb 0.88 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.69 1s4i h PRO 143 CO 0.64 0.00 0.50 -0.25 -0.23 0.00 0.00 178.00 178.66 1s4i n ASP 144 N -3.03 6.99 -4.16 1.44 8.00 -1.26 -4.11 116.55 120.41 1s4i n ASP 144 Ca -0.00 -3.79 -0.11 0.00 0.71 0.00 0.00 54.79 51.60 1s4i n ASP 144 Cb 0.24 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.40 1s4i n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s4i s THR 145 N -4.87 0.02 0.19 -3.53 -4.23 -1.21 -4.78 115.64 97.23 1s4i s THR 145 Ca 0.59 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.99 1s4i s THR 145 Cb 0.47 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.98 1s4i s THR 145 CO -0.08 -0.09 0.58 -0.55 -0.54 0.00 0.00 174.62 173.94 1s4i s SER 146 N -3.12 -0.36 0.00 3.99 0.15 0.86 -3.88 113.70 111.33 1s4i s SER 146 Ca 0.34 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.72 1s4i s SER 146 Cb 0.06 0.61 0.08 0.00 -1.71 0.00 0.00 66.02 65.06 1s4i s SER 146 CO 0.10 -1.07 0.81 0.18 1.20 0.00 0.00 173.24 174.46 1s4i n LEU 147 N -0.37 1.77 -4.69 3.45 4.77 -1.26 -1.20 117.00 119.47 1s4i n LEU 147 Ca -0.12 -1.31 -0.42 0.00 -0.03 0.00 0.00 56.01 54.13 1s4i n LEU 147 Cb 0.63 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1s4i n LEU 147 CO 0.15 0.40 0.84 -0.54 -1.33 0.00 0.00 177.39 176.92 1s4i s LYS 148 N -0.63 4.40 0.41 3.23 1.02 -1.26 -4.79 119.74 122.13 1s4i s LYS 148 Ca 0.08 1.49 -0.26 0.00 0.02 0.00 0.00 55.97 57.30 1s4i s LYS 148 Cb 0.05 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.72 1s4i s LYS 148 CO 0.07 -0.36 1.39 0.21 -0.92 0.00 0.00 175.35 175.74 1s4i s LYS 149 N 2.06 3.91 0.00 1.68 2.20 -1.26 -1.92 119.74 126.41 1s4i s LYS 149 Ca 0.51 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 1s4i s LYS 149 Cb -0.21 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1s4i s LYS 149 CO 0.19 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1s4i n GLY 150 N 0.60 2.18 3.77 5.54 0.00 -1.26 -5.04 105.19 110.97 1s4i n GLY 150 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1s4i n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s4i s SER 151 N -3.56 7.49 0.60 1.61 0.15 -0.81 -4.93 113.70 114.25 1s4i s SER 151 Ca 0.00 1.90 0.40 0.00 0.70 0.00 0.00 55.95 58.95 1s4i s SER 151 Cb 0.00 -2.60 2.02 0.00 -1.71 0.00 0.00 66.02 63.73 1s4i s SER 151 CO 0.00 0.04 2.20 0.07 1.20 0.00 0.00 173.24 176.75 1s4i h LYS 152 N 3.66 0.00 -0.46 5.44 -0.00 -1.96 -2.91 116.57 120.34 1s4i h LYS 152 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1s4i h LYS 152 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 1s4i h LYS 152 CO 0.66 0.00 0.00 1.28 -0.00 0.00 0.00 179.45 181.39 1s4i n LEU 153 N -2.99 4.56 -4.69 7.07 4.77 -1.26 -4.78 117.00 119.67 1s4i n LEU 153 Ca -0.02 -2.75 -0.42 0.00 -0.03 0.00 0.00 56.01 52.79 1s4i n LEU 153 Cb 0.14 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1s4i n LEU 153 CO 0.21 0.70 0.77 0.21 -1.33 0.00 0.00 177.39 177.95 1s4i s ASN 154 N -1.25 7.27 0.00 -1.43 2.47 -1.10 -0.10 114.94 120.79 1s4i s ASN 154 Ca 0.46 1.60 0.23 0.00 0.42 0.00 0.00 52.86 55.56 1s4i s ASN 154 Cb 0.34 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.65 1s4i s ASN 154 CO 0.16 -0.40 1.11 2.30 -3.72 0.00 0.00 177.10 176.54 1s4i n ILE 155 N 4.35 0.00 -3.19 -5.21 -5.35 -0.34 -4.54 119.36 105.08 1s4i n ILE 155 Ca 0.08 -0.01 -0.34 0.00 -0.27 0.00 0.00 62.75 62.22 1s4i n ILE 155 Cb 0.49 0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 39.06 1s4i n ILE 155 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1s4i n LEU 156 N -1.46 5.01 -4.99 7.28 0.00 -1.26 -3.61 117.00 117.97 1s4i n LEU 156 Ca 0.05 -5.38 -0.23 0.00 0.00 0.00 0.00 56.01 50.45 1s4i n LEU 156 Cb 0.33 -0.91 0.09 0.00 0.00 0.00 0.00 43.42 42.93 1s4i n LEU 156 CO 0.39 1.95 0.50 1.51 0.00 0.00 0.00 177.39 181.74 1s4i s ASP 157 N -2.26 4.62 0.28 1.96 -4.77 -1.26 -4.88 116.67 110.36 1s4i s ASP 157 Ca 0.37 -0.28 -0.02 0.00 -3.30 0.00 0.00 52.55 49.33 1s4i s ASP 157 Cb 0.13 -0.24 0.61 0.00 -1.09 0.00 0.00 42.92 42.32 1s4i s ASP 157 CO 0.02 -1.65 1.62 -0.08 0.70 0.00 0.00 175.17 175.77 1s4i h GLU 158 N -0.35 0.10 0.00 2.11 4.81 -1.96 -0.84 114.58 118.45 1s4i h GLU 158 Ca -0.38 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1s4i h GLU 158 Cb 1.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1s4i h GLU 158 CO 0.44 0.06 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.24 1s4i h ASP 159 N 0.10 0.00 -2.57 1.04 3.45 -1.93 -3.45 116.42 113.05 1s4i h ASP 159 Ca 0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.97 1s4i h ASP 159 Cb 0.98 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1s4i h ASP 159 CO -0.75 0.10 0.00 0.61 -1.57 0.00 0.00 179.24 177.63 1s4i n GLY 160 N 0.16 -1.62 3.40 2.75 0.00 -0.32 -1.41 105.19 108.16 1s4i n GLY 160 Ca 0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1s4i n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4i s SER 161 N -4.00 0.01 -0.02 1.61 0.01 -0.46 -3.06 113.70 107.79 1s4i s SER 161 Ca 0.00 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.29 1s4i s SER 161 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1s4i s SER 161 CO 0.00 -0.97 -0.10 0.00 0.41 0.00 0.00 173.24 172.58 1s4i s ALA 162 N -4.03 0.92 -0.16 1.44 0.00 -0.37 -0.09 121.76 119.47 1s4i s ALA 162 Ca 0.24 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 1s4i s ALA 162 Cb 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1s4i s ALA 162 CO 0.06 0.16 0.52 -0.06 0.00 0.00 0.00 175.76 176.44 1s4i s PHE 163 N 0.10 3.43 -0.03 0.00 0.08 -0.27 -0.41 117.98 120.88 1s4i s PHE 163 Ca -0.02 0.85 0.04 0.00 0.12 0.00 0.00 56.93 57.92 1s4i s PHE 163 Cb -0.08 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 1s4i s PHE 163 CO 0.00 0.00 -0.15 0.42 -0.10 0.00 0.00 175.22 175.40 1s4i s ILE 164 N 1.23 1.22 -0.10 0.64 1.01 -0.60 -0.96 121.20 123.65 1s4i s ILE 164 Ca 0.26 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1s4i s ILE 164 Cb -0.15 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1s4i s ILE 164 CO 0.10 0.35 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 1s4i s ILE 165 N -0.09 4.38 0.38 2.92 1.01 -0.48 -1.97 121.20 127.35 1s4i s ILE 165 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1s4i s ILE 165 Cb -0.09 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1s4i s ILE 165 CO 0.01 0.59 0.41 -1.00 0.00 0.00 0.00 174.94 174.94 1s4i s HIS 166 N -0.68 2.87 -0.40 3.97 3.76 -0.14 -0.79 115.29 123.87 1s4i s HIS 166 Ca 0.11 -0.36 0.24 0.00 -0.15 0.00 0.00 55.06 54.90 1s4i s HIS 166 Cb -0.12 -2.06 0.41 0.00 1.11 0.00 0.00 32.58 31.93 1s4i s HIS 166 CO 0.02 -0.06 1.64 1.05 -0.85 0.00 0.00 174.74 176.54 1s4i h GLU 167 N 1.00 0.00 -4.94 1.40 4.11 -1.17 -3.37 114.58 111.61 1s4i h GLU 167 Ca -0.43 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.54 1s4i h GLU 167 Cb 1.26 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 1s4i h GLU 167 CO 0.54 0.00 -0.54 -0.65 0.07 0.00 0.00 179.01 178.43 1s4i s GLN 168 N -3.24 1.71 0.35 1.06 -0.21 -0.96 -4.94 119.66 113.42 1s4i s GLN 168 Ca 0.07 -2.00 -0.27 0.00 0.02 0.00 0.00 55.36 53.18 1s4i s GLN 168 Cb 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 33.01 33.77 1s4i s GLN 168 CO 0.66 -0.48 1.18 0.00 -2.12 0.00 0.00 175.29 174.54 1s4i s ALA 169 N -3.47 3.32 0.22 6.09 0.00 -0.81 0.13 121.76 127.24 1s4i s ALA 169 Ca 0.33 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1s4i s ALA 169 Cb 0.04 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1s4i s ALA 169 CO 0.18 -0.45 0.85 0.34 0.00 0.00 0.00 175.76 176.69 1s4i s ASP 170 N -0.90 7.44 0.00 0.00 -1.08 -1.26 -4.19 116.67 116.68 1s4i s ASP 170 Ca 0.51 1.76 0.24 0.00 -0.52 0.00 0.00 52.55 54.54 1s4i s ASP 170 Cb -0.33 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 38.89 1s4i s ASP 170 CO 0.43 0.13 1.33 -0.90 0.52 0.00 0.00 175.17 176.67 1s4i n ASP 171 N 1.30 2.89 -0.47 -0.34 5.68 0.23 -4.94 116.55 120.90 1s4i n ASP 171 Ca -0.03 -1.95 -0.06 0.00 -0.50 0.00 0.00 54.79 52.25 1s4i n ASP 171 Cb 0.49 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 1s4i n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1s4i n TYR 172 N 1.24 0.00 0.00 2.11 0.53 -1.26 -4.72 117.16 115.06 1s4i n TYR 172 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.03 1s4i n TYR 172 Cb 0.57 -1.61 0.00 0.00 -1.03 0.00 0.00 39.34 37.28 1s4i n TYR 172 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1s4i n LEU 173 N -0.70 0.00 -4.77 7.72 7.94 -1.26 -0.29 117.00 125.64 1s4i n LEU 173 Ca -0.06 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.44 1s4i n LEU 173 Cb 0.31 0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.24 1s4i n LEU 173 CO 0.09 -0.46 0.90 -0.89 -1.11 0.00 0.00 177.39 175.92 1s4i s THR 174 N -1.92 3.04 0.38 1.96 2.01 -1.26 -4.73 115.64 115.12 1s4i s THR 174 Ca 0.00 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.93 1s4i s THR 174 Cb 0.00 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1s4i s THR 174 CO 0.00 0.23 0.73 0.20 -0.69 0.00 0.00 174.62 175.10 1s4i s ASN 175 N -0.69 6.54 0.37 3.53 0.01 -1.26 0.42 114.94 123.86 1s4i s ASN 175 Ca 0.48 1.09 0.24 0.00 -0.71 0.00 0.00 52.86 53.96 1s4i s ASN 175 Cb -0.36 -2.30 0.41 0.00 0.41 0.00 0.00 41.25 39.41 1s4i s ASN 175 CO 0.47 -0.35 1.60 1.55 -1.51 0.00 0.00 177.10 178.86 1s4i h PRO 176 N 1.44 0.00 0.00 -0.60 0.13 -1.99 -3.43 132.00 127.55 1s4i h PRO 176 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1s4i h PRO 176 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1s4i h PRO 176 CO 0.64 0.00 -0.47 -1.13 -0.23 0.00 0.00 178.00 176.82 1s4i n SER 177 N -2.88 1.06 0.00 1.44 3.41 -1.23 -4.56 113.62 110.87 1s4i n SER 177 Ca 0.04 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1s4i n SER 177 Cb 0.51 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1s4i n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4i n GLY 178 N -0.44 0.40 3.72 5.00 0.00 0.17 -2.96 105.19 111.07 1s4i n GLY 178 Ca 0.08 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1s4i n GLY 178 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s4i n ASN 179 N 1.65 -4.01 -0.72 1.61 2.85 -1.26 -0.60 115.26 114.78 1s4i n ASN 179 Ca 0.00 -0.70 0.13 0.00 -0.11 0.00 0.00 54.58 53.89 1s4i n ASN 179 Cb 0.00 -4.40 0.33 0.00 1.24 0.00 0.00 39.78 36.95 1s4i n ASN 179 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1s4i n SER 180 N -2.97 2.23 0.00 1.20 3.41 -1.16 -4.75 113.62 111.59 1s4i n SER 180 Ca -0.09 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1s4i n SER 180 Cb 0.59 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1s4i n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4i n GLY 181 N 1.26 0.00 3.80 5.00 0.00 -1.26 -2.27 105.19 111.73 1s4i n GLY 181 Ca 0.17 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1s4i n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4i s ALA 182 N -1.53 2.89 -0.29 4.61 0.00 -1.26 -4.71 121.76 121.46 1s4i s ALA 182 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 1s4i s ALA 182 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1s4i s ALA 182 CO 0.00 -0.32 1.21 1.03 0.00 0.00 0.00 175.76 177.68 1s4i s ARG 183 N -3.40 4.01 -0.01 0.00 0.52 -1.26 -1.31 118.95 117.49 1s4i s ARG 183 Ca 0.65 1.24 0.09 0.00 -0.52 0.00 0.00 55.73 57.19 1s4i s ARG 183 Cb -0.15 -3.81 -0.14 0.00 0.52 0.00 0.00 34.95 31.37 1s4i s ARG 183 CO 0.22 -0.99 0.21 0.44 0.02 0.00 0.00 175.30 175.20 1s4i n ILE 184 N 5.98 0.00 -3.96 1.52 -5.35 0.03 -4.56 119.36 113.01 1s4i n ILE 184 Ca 0.14 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 1s4i n ILE 184 Cb 0.47 0.32 -0.12 0.00 -1.74 0.00 0.00 39.64 38.56 1s4i n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1s4i s VAL 185 N -2.61 0.12 -0.03 7.28 1.01 -0.71 -3.05 120.40 122.41 1s4i s VAL 185 Ca -0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1s4i s VAL 185 Cb 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1s4i s VAL 185 CO 0.38 -0.29 0.13 0.00 0.00 0.00 0.00 175.10 175.32 1s4i s GLY 187 N -0.36 0.27 -0.11 0.00 0.00 -0.13 -1.24 107.32 105.75 1s4i s GLY 187 Ca -0.04 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.55 1s4i s GLY 187 CO 0.00 1.08 0.77 0.00 0.00 0.00 0.00 173.10 174.95 1s4i s ALA 188 N 1.75 3.41 -0.33 3.20 0.00 -1.26 -1.12 121.76 127.41 1s4i s ALA 188 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1s4i s ALA 188 Cb -0.13 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1s4i s ALA 188 CO -0.03 -0.36 0.15 -1.17 0.00 0.00 0.00 175.76 174.35 1s4i s LEU 189 N 1.42 4.23 0.21 0.00 2.96 0.88 -4.74 118.68 123.63 1s4i s LEU 189 Ca 0.38 -0.74 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1s4i s LEU 189 Cb -0.17 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1s4i s LEU 189 CO 0.16 -0.26 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.12 1s4i s LEU 190 N 1.55 2.37 0.00 -0.68 2.01 -1.26 -1.36 118.68 121.32 1s4i s LEU 190 Ca 0.03 -1.13 0.00 0.00 0.01 0.00 0.00 54.13 53.04 1s4i s LEU 190 Cb -0.18 -0.38 0.00 0.00 0.01 0.00 0.00 46.19 45.64 1s4i s LEU 190 CO 0.05 -0.40 0.00 0.61 1.01 0.00 0.00 176.35 177.62