#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 3.51 0.17 0.00 0.40 -1.26 -4.87 117.98 115.93 1s4i s PHE 41 Ca 0.00 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1s4i s PHE 41 Cb 0.00 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1s4i s PHE 41 CO 0.00 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.81 1s4i n GLY 42 N 0.35 -0.17 3.33 4.36 0.00 0.62 -4.89 105.19 108.79 1s4i n GLY 42 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.26 4.60 -1.89 1.61 8.25 -1.24 -4.76 115.22 118.53 1s4i n HIS 43 Ca 0.00 -3.35 -0.43 0.00 -0.26 0.00 0.00 57.72 53.68 1s4i n HIS 43 Cb 0.04 -2.00 -0.03 0.00 1.12 0.00 0.00 29.99 29.12 1s4i n HIS 43 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1s4i s HIS 44 N 0.56 1.68 -0.15 4.41 2.46 -1.26 -4.40 115.29 118.59 1s4i s HIS 44 Ca 0.39 0.35 -0.00 0.00 0.47 0.00 0.00 55.06 56.27 1s4i s HIS 44 Cb -0.02 -4.03 -0.01 0.00 -0.13 0.00 0.00 32.58 28.39 1s4i s HIS 44 CO -0.01 -3.76 -0.14 0.14 -2.47 0.00 0.00 174.74 168.51 1s4i s VAL 45 N 5.96 2.84 0.23 0.89 -7.23 0.18 -4.96 120.40 118.31 1s4i s VAL 45 Ca 0.83 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1s4i s VAL 45 Cb -0.30 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1s4i s VAL 45 CO 0.33 0.51 1.11 -1.10 -0.31 0.00 0.00 175.10 175.65 1s4i s GLN 46 N 0.69 4.61 -0.05 4.82 -0.21 -1.26 -1.38 119.66 126.88 1s4i s GLN 46 Ca -0.07 1.78 -0.13 0.00 0.02 0.00 0.00 55.36 56.96 1s4i s GLN 46 Cb -0.15 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.58 1s4i s GLN 46 CO 0.02 0.13 0.34 -0.51 -2.12 0.00 0.00 175.29 173.16 1s4i s LEU 47 N -0.91 4.42 0.03 2.90 1.43 -0.12 -4.48 118.68 121.95 1s4i s LEU 47 Ca 0.47 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1s4i s LEU 47 Cb -0.31 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1s4i s LEU 47 CO 0.38 0.29 -0.21 0.68 0.23 0.00 0.00 176.35 177.72 1s4i s VAL 48 N -0.75 1.67 0.00 -1.59 -7.23 -0.21 -2.10 120.40 110.19 1s4i s VAL 48 Ca 0.21 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1s4i s VAL 48 Cb -0.15 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1s4i s VAL 48 CO 0.10 0.26 0.00 -0.46 -0.31 0.00 0.00 175.10 174.69 1s4i n ASN 49 N 1.98 0.10 0.06 4.85 6.94 -0.86 -1.22 115.26 127.11 1s4i n ASN 49 Ca -0.17 -0.36 -0.06 0.00 -0.02 0.00 0.00 54.58 53.98 1s4i n ASN 49 Cb 0.53 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.08 1s4i n ASN 49 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1s4i h ARG 50 N 0.00 0.34 -0.69 -3.83 3.08 -1.90 -2.79 114.38 108.59 1s4i h ARG 50 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1s4i h ARG 50 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1s4i h ARG 50 CO 0.00 0.79 0.00 -0.85 -1.07 0.00 0.00 179.97 178.84 1s4i n GLU 51 N -3.94 3.13 -0.28 0.04 0.28 -1.26 -4.43 120.64 114.19 1s4i n GLU 51 Ca -0.02 -2.74 0.00 0.00 -0.16 0.00 0.00 57.16 54.23 1s4i n GLU 51 Cb 0.58 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1s4i n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s4i n GLY 52 N 1.41 0.86 3.81 -1.84 0.00 -1.05 -5.07 105.19 103.31 1s4i n GLY 52 Ca 0.25 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.71 4.29 -0.01 1.61 2.20 -1.26 -4.85 119.74 121.01 1s4i s LYS 53 Ca 0.00 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 1s4i s LYS 53 Cb 0.00 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.77 1s4i s LYS 53 CO 0.00 0.14 1.53 0.00 -0.36 0.00 0.00 175.35 176.66 1s4i s ALA 54 N -1.90 3.62 -0.10 3.13 0.00 -1.26 -2.03 121.76 123.22 1s4i s ALA 54 Ca 0.55 0.95 0.18 0.00 0.00 0.00 0.00 51.96 53.63 1s4i s ALA 54 Cb -0.13 -3.67 0.40 0.00 0.00 0.00 0.00 23.12 19.72 1s4i s ALA 54 CO 0.18 -1.12 1.18 1.33 0.00 0.00 0.00 175.76 177.33 1s4i n VAL 55 N 4.96 1.09 0.00 0.00 0.24 -0.89 -4.97 118.33 118.76 1s4i n VAL 55 Ca 0.15 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 1s4i n VAL 55 Cb 0.43 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 -0.36 0.46 3.36 7.63 0.00 -1.26 -0.99 105.19 114.03 1s4i n GLY 56 Ca 0.12 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.18 -0.16 0.05 1.61 -0.71 -0.60 -0.94 117.98 117.04 1s4i s PHE 57 Ca 0.00 -0.16 0.08 0.00 -1.04 0.00 0.00 56.93 55.81 1s4i s PHE 57 Cb 0.00 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 42.06 1s4i s PHE 57 CO 0.00 -0.75 -0.23 0.42 -1.34 0.00 0.00 175.22 173.33 1s4i s ILE 58 N -3.82 1.82 0.06 -4.49 1.01 -0.48 -1.25 121.20 114.05 1s4i s ILE 58 Ca 0.05 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1s4i s ILE 58 Cb 0.01 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1s4i s ILE 58 CO -0.10 0.23 -0.06 -1.61 0.00 0.00 0.00 174.94 173.40 1s4i s GLU 59 N -1.26 0.61 0.16 2.79 2.02 -0.76 0.49 118.70 122.75 1s4i s GLU 59 Ca 0.09 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.14 1s4i s GLU 59 Cb -0.09 -0.16 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 1s4i s GLU 59 CO 0.02 -0.00 -0.07 0.96 0.02 0.00 0.00 175.26 176.19 1s4i s ILE 60 N -2.40 1.05 0.09 -1.63 -4.36 -1.26 -0.87 121.20 111.83 1s4i s ILE 60 Ca -0.02 -2.04 -0.18 0.00 -0.26 0.00 0.00 60.65 58.15 1s4i s ILE 60 Cb -0.03 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.79 1s4i s ILE 60 CO -0.03 -0.67 0.44 -1.59 0.24 0.00 0.00 174.94 173.34 1s4i s LYS 61 N -3.79 1.04 -0.01 0.37 -2.85 -0.76 -0.28 119.74 113.45 1s4i s LYS 61 Ca 0.19 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.35 1s4i s LYS 61 Cb 0.04 0.46 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1s4i s LYS 61 CO 0.02 -0.39 1.58 -1.21 0.10 0.00 0.00 175.35 175.44 1s4i s GLU 62 N -3.20 4.21 0.44 1.78 2.02 -1.26 -1.03 118.70 121.67 1s4i s GLU 62 Ca -0.01 2.15 -0.25 0.00 0.02 0.00 0.00 54.97 56.87 1s4i s GLU 62 Cb 0.00 -3.78 -0.09 0.00 0.10 0.00 0.00 34.13 30.37 1s4i s GLU 62 CO -0.08 -0.75 1.43 0.45 0.02 0.00 0.00 175.26 176.34 1s4i n SER 63 N 6.29 3.32 -4.13 -0.19 2.88 -0.49 -4.76 113.62 116.55 1s4i n SER 63 Ca 0.16 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.43 1s4i n SER 63 Cb 0.42 -1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 1s4i n SER 63 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1s4i n ASP 64 N -0.12 5.05 -4.64 -3.46 3.85 -1.26 -4.47 116.55 111.50 1s4i n ASP 64 Ca 0.05 -3.17 -0.32 0.00 -0.71 0.00 0.00 54.79 50.64 1s4i n ASP 64 Cb 0.41 -1.18 -0.08 0.00 -1.35 0.00 0.00 41.12 38.92 1s4i n ASP 64 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1s4i s ASP 65 N -0.06 3.89 0.27 -1.12 1.11 -1.26 -5.18 116.67 114.32 1s4i s ASP 65 Ca 0.30 -1.67 0.03 0.00 0.18 0.00 0.00 52.55 51.39 1s4i s ASP 65 Cb -0.05 0.54 -0.06 0.00 1.07 0.00 0.00 42.92 44.43 1s4i s ASP 65 CO -0.06 -0.88 0.05 -0.70 1.18 0.00 0.00 175.17 174.76 1s4i s GLU 66 N -3.85 1.45 6.90 8.23 2.12 -1.26 -5.13 118.70 127.17 1s4i s GLU 66 Ca 0.08 -1.78 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1s4i s GLU 66 Cb 0.02 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.84 1s4i s GLU 66 CO 0.05 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1s4i n GLY 67 N -0.51 2.47 3.25 -1.50 0.00 -1.23 -4.22 105.19 103.44 1s4i n GLY 67 Ca -0.02 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 2.12 -0.04 0.99 1.43 -0.74 -1.40 118.68 121.04 1s4i s LEU 68 Ca 0.00 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1s4i s LEU 68 Cb 0.00 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 1s4i s LEU 68 CO 0.00 0.21 0.32 -1.81 0.23 0.00 0.00 176.35 175.30 1s4i s ASP 69 N -0.91 6.67 -0.12 2.29 1.01 -0.20 0.11 116.67 125.52 1s4i s ASP 69 Ca 0.08 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.16 1s4i s ASP 69 Cb -0.09 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1s4i s ASP 69 CO 0.01 0.35 -0.15 -0.63 0.21 0.00 0.00 175.17 174.96 1s4i s ILE 70 N -1.03 1.51 -0.39 0.77 1.01 0.30 -1.84 121.20 121.54 1s4i s ILE 70 Ca 0.21 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 1s4i s ILE 70 Cb -0.15 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1s4i s ILE 70 CO 0.10 0.45 0.32 -2.28 0.00 0.00 0.00 174.94 173.53 1s4i s HIS 71 N 1.16 3.22 -0.17 3.97 5.65 -0.05 -0.50 115.29 128.57 1s4i s HIS 71 Ca -0.03 -0.41 -0.03 0.00 0.25 0.00 0.00 55.06 54.85 1s4i s HIS 71 Cb -0.14 -2.63 -0.02 0.00 -1.18 0.00 0.00 32.58 28.61 1s4i s HIS 71 CO -0.05 -0.55 -0.07 -1.50 -0.65 0.00 0.00 174.74 171.93 1s4i s ILE 72 N 1.81 3.45 -0.32 0.89 2.07 0.01 -1.82 121.20 127.29 1s4i s ILE 72 Ca 0.07 -0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 1s4i s ILE 72 Cb -0.18 -2.51 0.11 0.00 0.13 0.00 0.00 42.46 40.00 1s4i s ILE 72 CO 0.11 0.48 0.13 -0.55 -1.91 0.00 0.00 174.94 173.20 1s4i s SER 73 N 0.72 3.79 0.17 4.50 0.15 -0.38 -1.64 113.70 121.02 1s4i s SER 73 Ca -0.03 -1.72 0.09 0.00 0.70 0.00 0.00 55.95 54.99 1s4i s SER 73 Cb -0.15 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1s4i s SER 73 CO 0.02 -0.40 -0.13 0.00 1.20 0.00 0.00 173.24 173.93 1s4i s ALA 74 N 1.53 2.83 0.41 5.45 0.00 0.07 -1.56 121.76 130.49 1s4i s ALA 74 Ca 0.11 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1s4i s ALA 74 Cb -0.18 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1s4i s ALA 74 CO -0.23 0.48 0.14 0.54 0.00 0.00 0.00 175.76 176.69 1s4i s ASN 75 N -2.71 2.76 -1.55 0.00 6.03 -0.17 -1.07 114.94 118.23 1s4i s ASN 75 Ca 0.23 -1.69 -0.14 0.00 -1.03 0.00 0.00 52.86 50.23 1s4i s ASN 75 Cb -0.09 0.53 0.09 0.00 -3.03 0.00 0.00 41.25 38.76 1s4i s ASN 75 CO 0.13 -0.95 0.93 -1.20 -2.03 0.00 0.00 177.10 173.98 1s4i n SER 76 N -1.35 -4.28 -4.50 3.54 7.64 -1.15 -4.83 113.62 108.70 1s4i n SER 76 Ca -0.05 -0.83 -0.20 0.00 1.01 0.00 0.00 58.87 58.80 1s4i n SER 76 Cb 0.65 -3.69 0.02 0.00 -1.01 0.00 0.00 64.21 60.18 1s4i n SER 76 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s4i n LEU 77 N -4.61 0.00 -4.60 -3.43 4.77 0.06 -5.07 117.00 104.11 1s4i n LEU 77 Ca 0.02 -2.37 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 1s4i n LEU 77 Cb 0.53 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1s4i n LEU 77 CO 0.77 -0.60 0.70 -0.60 -1.33 0.00 0.00 177.39 176.34 1s4i s ARG 78 N -4.09 3.87 -0.24 3.23 3.52 -1.26 -4.44 118.95 119.54 1s4i s ARG 78 Ca 0.37 0.57 -0.40 0.00 -0.13 0.00 0.00 55.73 56.14 1s4i s ARG 78 Cb -0.03 -3.78 -0.16 0.00 -1.56 0.00 0.00 34.95 29.42 1s4i s ARG 78 CO 0.23 -0.87 1.70 -2.30 -0.81 0.00 0.00 175.30 173.26 1s4i n PRO 79 N 6.59 1.13 0.00 5.12 -0.02 -1.26 -1.48 135.00 145.07 1s4i n PRO 79 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1s4i n PRO 79 Cb 0.48 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 4.01 1.83 3.79 -1.23 0.00 -0.45 -4.94 105.19 108.19 1s4i n GLY 80 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.53 2.73 -0.20 4.61 0.00 -0.55 -4.66 121.76 121.16 1s4i s ALA 81 Ca 0.00 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1s4i s ALA 81 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1s4i s ALA 81 CO 0.00 -0.71 0.31 -1.12 0.00 0.00 0.00 175.76 174.24 1s4i s SER 82 N -2.18 6.36 -0.14 0.00 0.01 -1.26 -1.33 113.70 115.16 1s4i s SER 82 Ca 0.68 0.41 0.01 0.00 1.31 0.00 0.00 55.95 58.36 1s4i s SER 82 Cb -0.19 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 1s4i s SER 82 CO 0.29 0.01 -0.16 -0.76 0.41 0.00 0.00 173.24 173.03 1s4i s LEU 83 N 1.02 2.48 0.21 2.44 1.43 0.22 -2.86 118.68 123.62 1s4i s LEU 83 Ca 0.15 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 1s4i s LEU 83 Cb -0.14 -1.55 -0.16 0.00 0.03 0.00 0.00 46.19 44.37 1s4i s LEU 83 CO 0.06 0.11 0.85 0.61 0.23 0.00 0.00 176.35 178.21 1s4i n GLY 84 N 3.87 -0.80 3.00 -3.19 0.00 -0.78 -0.12 105.19 107.17 1s4i n GLY 84 Ca -0.19 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.78 -0.63 0.12 1.61 5.36 -1.26 -0.92 117.98 121.48 1s4i s PHE 85 Ca 0.66 0.96 -0.03 0.00 -0.96 0.00 0.00 56.93 57.56 1s4i s PHE 85 Cb -0.87 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 41.80 1s4i s PHE 85 CO 0.57 -0.54 0.08 -1.01 -1.46 0.00 0.00 175.22 172.86 1s4i s HIS 86 N 2.50 0.67 -0.22 10.12 3.76 -0.78 -2.27 115.29 129.07 1s4i s HIS 86 Ca 0.05 -1.09 -0.09 0.00 -0.15 0.00 0.00 55.06 53.78 1s4i s HIS 86 Cb -0.14 -0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.14 1s4i s HIS 86 CO -0.12 -0.52 0.12 0.42 -0.85 0.00 0.00 174.74 173.79 1s4i s ILE 87 N -4.00 5.16 0.33 0.60 1.01 0.60 -1.24 121.20 123.67 1s4i s ILE 87 Ca 0.18 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.02 1s4i s ILE 87 Cb 0.07 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1s4i s ILE 87 CO -0.02 0.39 0.14 -0.31 0.00 0.00 0.00 174.94 175.15 1s4i s TYR 88 N 0.78 2.73 -1.43 3.97 2.02 0.81 -1.83 117.35 124.39 1s4i s TYR 88 Ca 0.06 -0.36 0.26 0.00 -0.37 0.00 0.00 57.07 56.66 1s4i s TYR 88 Cb -0.13 -1.61 0.61 0.00 -0.40 0.00 0.00 41.96 40.42 1s4i s TYR 88 CO 0.02 0.35 1.47 -0.85 -1.57 0.00 0.00 175.55 174.98 1s4i n GLU 89 N -1.14 0.48 -4.85 -0.62 0.28 -1.10 -1.18 120.64 112.52 1s4i n GLU 89 Ca -0.03 -0.29 -0.27 0.00 -0.16 0.00 0.00 57.16 56.41 1s4i n GLU 89 Cb 0.61 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.72 1.99 -1.57 3.44 1.02 -1.23 -4.61 119.74 116.07 1s4i s LYS 90 Ca 0.18 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 1s4i s LYS 90 Cb 0.18 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1s4i s LYS 90 CO 0.60 0.18 2.71 0.41 -0.92 0.00 0.00 175.35 178.33 1s4i n GLY 91 N 3.37 4.32 2.88 -3.33 0.00 0.49 -3.36 105.19 109.57 1s4i n GLY 91 Ca -0.19 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 2.50 -0.02 -0.45 1.61 0.15 -1.26 -4.78 113.70 111.44 1s4i s SER 92 Ca 0.62 0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.38 1s4i s SER 92 Cb 0.17 0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.65 1s4i s SER 92 CO -0.07 -0.04 0.21 0.00 1.20 0.00 0.00 173.24 174.54 1s4i s VAL 94 N 0.23 3.98 0.69 0.00 1.01 -1.25 -5.03 120.40 120.03 1s4i s VAL 94 Ca 0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1s4i s VAL 94 Cb -0.24 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1s4i s VAL 94 CO -0.03 -0.09 1.08 0.00 0.00 0.00 0.00 175.10 176.06 1s4i s ARG 95 N 1.46 2.77 0.00 2.72 1.70 -1.26 -2.17 118.95 124.18 1s4i s ARG 95 Ca 0.01 1.14 0.00 0.00 -0.47 0.00 0.00 55.73 56.40 1s4i s ARG 95 Cb -0.19 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 1s4i s ARG 95 CO 0.03 -1.24 0.00 -0.35 -1.08 0.00 0.00 175.30 172.66 1s4i n PRO 96 N -2.93 0.08 0.00 3.89 -0.04 -1.26 -4.83 135.00 129.91 1s4i n PRO 96 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1s4i n PRO 96 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.97 0.00 -2.29 3.54 9.92 -1.26 -4.60 116.55 118.89 1s4i n ASP 97 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1s4i n ASP 97 Cb 0.00 -0.22 -0.01 0.00 -0.64 0.00 0.00 41.12 40.25 1s4i n ASP 97 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1s4i n PHE 98 N -0.68 -1.48 0.44 1.24 3.72 -0.92 -4.55 117.46 115.23 1s4i n PHE 98 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1s4i n PHE 98 Cb 0.00 -2.11 0.48 0.00 -0.94 0.00 0.00 39.48 36.91 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 -1.58 -1.08 4.39 -1.81 -3.36 114.58 111.13 1s4i h GLU 99 Ca -0.19 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.85 1s4i h GLU 99 Cb 1.06 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.35 1s4i h GLU 99 CO 0.23 0.00 0.09 -1.13 -1.16 0.00 0.00 179.01 177.03 1s4i n SER 100 N -2.30 6.07 -3.15 1.42 3.41 -1.26 -3.83 113.62 113.98 1s4i n SER 100 Ca 0.03 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.74 1s4i n SER 100 Cb 0.29 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 1s4i n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4i s ALA 101 N -3.78 0.13 0.00 7.33 0.00 -1.11 -3.87 121.76 120.46 1s4i s ALA 101 Ca 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1s4i s ALA 101 Cb 0.43 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.51 1s4i s ALA 101 CO -0.24 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1s4i n GLY 102 N -0.55 0.91 0.00 0.00 0.00 -1.25 -4.43 105.19 99.88 1s4i n GLY 102 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.68 -1.67 3.75 -0.02 0.00 -1.26 -4.84 105.19 101.83 1s4i n GLY 103 Ca 0.00 0.75 -0.35 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 2.69 -0.30 1.61 0.02 -1.26 -2.70 135.00 135.05 1s4i s PRO 104 Ca 0.00 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 1s4i s PRO 104 Cb 0.00 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 1s4i s PRO 104 CO 0.00 -1.41 0.67 0.12 -0.33 0.00 0.00 177.00 176.05 1s4i s PHE 105 N -1.83 3.22 -0.41 6.54 2.19 -0.76 -4.56 117.98 122.36 1s4i s PHE 105 Ca 0.75 0.66 0.10 0.00 0.33 0.00 0.00 56.93 58.76 1s4i s PHE 105 Cb -0.28 -3.03 0.33 0.00 -1.31 0.00 0.00 43.02 38.72 1s4i s PHE 105 CO 0.38 -0.48 0.84 -1.71 1.83 0.00 0.00 175.22 176.08 1s4i n ASN 106 N 5.94 -0.39 0.02 6.13 5.15 -1.26 -2.07 115.26 128.77 1s4i n ASN 106 Ca 0.00 -3.22 0.08 0.00 -0.60 0.00 0.00 54.58 50.85 1s4i n ASN 106 Cb 0.49 0.29 0.37 0.00 -0.53 0.00 0.00 39.78 40.40 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 0.46 0.02 -0.40 1.20 -0.04 -1.26 -1.81 135.00 133.17 1s4i n PRO 107 Ca 0.18 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1s4i n PRO 107 Cb 0.66 -1.54 0.25 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.59 3.83 -4.31 1.53 4.32 -1.26 -5.01 117.00 114.50 1s4i n LEU 108 Ca 0.04 -2.44 -0.31 0.00 -0.02 0.00 0.00 56.01 53.28 1s4i n LEU 108 Cb 0.20 -0.44 -0.10 0.00 -1.62 0.00 0.00 43.42 41.47 1s4i n LEU 108 CO 0.16 0.75 -0.45 -3.20 -1.22 0.00 0.00 177.39 173.42 1s4i n ASN 109 N 0.44 0.77 -4.97 -1.43 5.15 -0.75 -5.01 115.26 109.46 1s4i n ASN 109 Ca 0.19 -1.26 -0.22 0.00 -0.60 0.00 0.00 54.58 52.69 1s4i n ASN 109 Cb 0.72 -1.66 0.02 0.00 -0.53 0.00 0.00 39.78 38.32 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 -7.34 2.91 1.02 1.20 -0.14 -1.26 -5.10 119.74 111.03 1s4i s LYS 110 Ca 0.04 -0.68 -0.15 0.00 -1.36 0.00 0.00 55.97 53.82 1s4i s LYS 110 Cb -0.02 -2.58 0.20 0.00 -1.68 0.00 0.00 37.83 33.74 1s4i s LYS 110 CO 1.00 -0.35 1.14 -1.21 -0.76 0.00 0.00 175.35 175.17 1s4i s GLU 111 N -4.55 0.21 0.38 1.68 2.02 -1.09 -4.62 118.70 112.72 1s4i s GLU 111 Ca 0.51 0.14 -0.24 0.00 0.02 0.00 0.00 54.97 55.39 1s4i s GLU 111 Cb -0.10 -1.74 -0.10 0.00 0.10 0.00 0.00 34.13 32.29 1s4i s GLU 111 CO 0.37 -2.80 1.00 -1.58 0.02 0.00 0.00 175.26 172.26 1s4i s HIS 112 N -3.21 3.41 0.00 1.61 5.65 -1.26 -1.53 115.29 119.96 1s4i s HIS 112 Ca 0.68 1.68 0.00 0.00 0.25 0.00 0.00 55.06 57.67 1s4i s HIS 112 Cb -0.13 -3.01 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1s4i s HIS 112 CO 0.55 -0.25 0.00 0.41 -0.65 0.00 0.00 174.74 174.80 1s4i n GLY 113 N 0.22 3.42 0.20 1.59 0.00 -1.26 -4.56 105.19 104.80 1s4i n GLY 113 Ca 0.04 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 0.09 -0.51 1.61 0.05 -1.86 -2.38 116.94 113.94 1s4i h PHE 114 Ca 0.00 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1s4i h PHE 114 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 37.93 1s4i h PHE 114 CO 0.00 0.39 0.00 0.09 -0.18 0.00 0.00 178.31 178.61 1s4i n ASN 115 N -4.14 4.49 -4.34 2.17 3.02 0.63 -4.84 115.26 112.25 1s4i n ASN 115 Ca -0.02 -2.59 -0.39 0.00 -0.03 0.00 0.00 54.58 51.56 1s4i n ASN 115 Cb 0.38 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.89 1s4i n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s4i s ASN 116 N -1.13 5.51 0.52 6.41 3.84 -0.89 -4.90 114.94 124.29 1s4i s ASN 116 Ca 0.46 -1.00 0.29 0.00 0.21 0.00 0.00 52.86 52.82 1s4i s ASN 116 Cb 0.32 -1.95 1.58 0.00 -0.55 0.00 0.00 41.25 40.65 1s4i s ASN 116 CO 0.19 -0.34 1.87 -0.65 -2.79 0.00 0.00 177.10 175.38 1s4i h PRO 117 N 8.33 0.00 -0.66 0.43 0.11 -1.88 -1.88 132.00 136.46 1s4i h PRO 117 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1s4i h PRO 117 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s4i h PRO 117 CO 0.63 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.09 1s4i n MET 118 N -2.63 3.61 -3.22 1.05 2.81 -1.26 -4.97 117.12 112.51 1s4i n MET 118 Ca -0.02 -2.86 -0.21 0.00 -1.81 0.00 0.00 57.70 52.79 1s4i n MET 118 Cb 0.19 -1.85 0.05 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.94 1.84 0.00 3.03 0.00 -0.71 -2.68 107.32 107.87 1s4i s GLY 119 Ca 0.51 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1s4i s GLY 119 CO 0.26 -1.77 0.00 -2.39 0.00 0.00 0.00 173.10 169.20 1s4i n HIS 120 N -2.20 0.00 -1.06 1.90 1.44 -0.58 -4.79 115.22 109.92 1s4i n HIS 120 Ca 0.13 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.42 1s4i n HIS 120 Cb 0.63 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.68 1s4i n HIS 120 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1s4i n HIS 121 N 0.00 0.73 -0.23 -1.40 8.25 -1.06 -4.86 115.22 116.65 1s4i n HIS 121 Ca 0.00 0.73 0.03 0.00 -0.26 0.00 0.00 57.72 58.22 1s4i n HIS 121 Cb 0.00 -1.42 0.14 0.00 1.12 0.00 0.00 29.99 29.83 1s4i n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4i h ALA 122 N 2.53 0.80 -0.03 -1.41 0.00 -1.85 -1.72 119.26 117.57 1s4i h ALA 122 Ca -0.32 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s4i h ALA 122 Cb 0.93 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s4i h ALA 122 CO 0.52 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1s4i n GLY 123 N -1.35 -0.80 3.71 0.00 0.00 -0.88 -4.67 105.19 101.20 1s4i n GLY 123 Ca 0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.40 6.93 0.34 1.61 -0.00 -0.65 -0.29 116.67 123.22 1s4i s ASP 124 Ca 0.21 2.14 0.04 0.00 -0.00 0.00 0.00 52.55 54.94 1s4i s ASP 124 Cb 0.10 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.41 1s4i s ASP 124 CO 0.16 -0.60 0.15 -0.76 -0.00 0.00 0.00 175.17 174.12 1s4i s LEU 125 N 1.43 1.83 0.61 1.23 1.02 -0.96 -4.96 118.68 118.88 1s4i s LEU 125 Ca 0.62 -1.59 -0.17 0.00 0.02 0.00 0.00 54.13 53.01 1s4i s LEU 125 Cb -0.32 0.06 -0.02 0.00 0.02 0.00 0.00 46.19 45.92 1s4i s LEU 125 CO 0.29 -0.89 1.11 -2.84 0.02 0.00 0.00 176.35 174.04 1s4i s PRO 126 N -3.77 3.06 0.61 1.29 0.02 -1.26 -4.46 135.00 130.49 1s4i s PRO 126 Ca 0.32 1.44 -0.19 0.00 0.02 0.00 0.00 61.00 62.59 1s4i s PRO 126 Cb 0.04 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1s4i s PRO 126 CO 0.17 -1.05 1.15 0.09 -0.33 0.00 0.00 177.00 177.02 1s4i n ASN 127 N -1.99 1.55 -4.74 2.53 5.03 -1.26 -4.49 115.26 111.89 1s4i n ASN 127 Ca 0.11 0.85 -0.40 0.00 0.87 0.00 0.00 54.58 56.00 1s4i n ASN 127 Cb 0.52 -1.48 -0.05 0.00 -1.02 0.00 0.00 39.78 37.75 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 -3.04 4.44 -0.37 3.41 1.43 0.83 -4.84 118.68 120.53 1s4i s LEU 128 Ca 0.77 1.48 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1s4i s LEU 128 Cb -0.41 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1s4i s LEU 128 CO 0.45 -0.02 0.15 -1.61 0.23 0.00 0.00 176.35 175.55 1s4i s GLU 129 N 0.06 2.31 0.09 1.70 8.01 -1.26 -0.61 118.70 129.00 1s4i s GLU 129 Ca 0.40 -1.52 -0.26 0.00 0.01 0.00 0.00 54.97 53.60 1s4i s GLU 129 Cb -0.21 -3.50 -0.06 0.00 -4.31 0.00 0.00 34.13 26.05 1s4i s GLU 129 CO 0.24 -0.88 0.80 0.08 0.01 0.00 0.00 175.26 175.51 1s4i s VAL 130 N 1.26 4.60 0.77 2.63 1.01 -0.44 -4.80 120.40 125.43 1s4i s VAL 130 Ca 0.02 1.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 1s4i s VAL 130 Cb -0.22 -4.16 0.17 0.00 0.00 0.00 0.00 36.38 32.17 1s4i s VAL 130 CO -0.01 0.39 1.06 0.61 0.00 0.00 0.00 175.10 177.15 1s4i n GLY 131 N 2.17 -0.35 0.29 4.51 0.00 -0.94 -1.34 105.19 109.54 1s4i n GLY 131 Ca -0.02 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1s4i n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4i h ALA 132 N -1.17 1.95 0.00 4.61 0.00 -1.92 -0.62 119.26 122.11 1s4i h ALA 132 Ca -0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1s4i h ALA 132 Cb 1.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s4i h ALA 132 CO 0.30 -0.12 -0.07 0.22 0.00 0.00 0.00 179.25 179.58 1s4i h ASP 133 N 0.00 0.00 0.00 0.00 -0.00 -1.97 -3.44 116.42 111.01 1s4i h ASP 133 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1s4i h ASP 133 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.52 1s4i h ASP 133 CO -0.00 0.07 0.00 0.61 -0.00 0.00 0.00 179.24 179.92 1s4i n GLY 134 N -0.03 0.75 3.84 -0.78 0.00 -0.25 -4.79 105.19 103.93 1s4i n GLY 134 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.48 3.12 0.03 1.61 1.02 -1.26 -0.76 119.74 123.01 1s4i s LYS 135 Ca 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1s4i s LYS 135 Cb 0.00 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1s4i s LYS 135 CO 0.00 0.58 -0.08 0.54 -0.92 0.00 0.00 175.35 175.48 1s4i s VAL 136 N -1.44 0.58 -0.47 3.17 0.11 -0.24 -2.22 120.40 119.90 1s4i s VAL 136 Ca 0.32 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 1s4i s VAL 136 Cb -0.13 -0.58 0.18 0.00 -1.53 0.00 0.00 36.38 34.32 1s4i s VAL 136 CO 0.25 -0.16 0.67 -0.62 -3.33 0.00 0.00 175.10 171.90 1s4i s ASP 137 N -1.04 -1.28 0.21 3.54 -1.08 -1.25 -0.75 116.67 115.02 1s4i s ASP 137 Ca -0.04 -1.46 0.02 0.00 -0.52 0.00 0.00 52.55 50.54 1s4i s ASP 137 Cb -0.07 1.79 -0.05 0.00 -1.46 0.00 0.00 42.92 43.13 1s4i s ASP 137 CO 0.00 -0.10 0.04 0.68 0.52 0.00 0.00 175.17 176.31 1s4i s VAL 138 N 1.19 0.65 -0.10 1.11 -7.23 -0.65 -5.01 120.40 110.36 1s4i s VAL 138 Ca 0.25 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1s4i s VAL 138 Cb -0.02 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1s4i s VAL 138 CO -0.06 -0.26 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.70 1s4i s ILE 139 N -3.68 3.00 0.14 -0.62 1.09 -1.26 -0.81 121.20 119.06 1s4i s ILE 139 Ca 0.30 -0.70 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1s4i s ILE 139 Cb 0.07 -2.22 -0.04 0.00 -1.06 0.00 0.00 42.46 39.20 1s4i s ILE 139 CO 0.09 0.55 -0.10 0.00 -0.10 0.00 0.00 174.94 175.37 1s4i s MET 140 N -0.05 1.04 -0.15 2.79 0.23 0.34 -4.94 119.30 118.55 1s4i s MET 140 Ca -0.03 -1.41 -0.06 0.00 -1.03 0.00 0.00 55.69 53.16 1s4i s MET 140 Cb -0.14 -0.62 -0.04 0.00 -1.53 0.00 0.00 34.83 32.50 1s4i s MET 140 CO 0.04 0.08 0.04 1.21 -2.03 0.00 0.00 175.02 174.36 1s4i s ASN 141 N -3.07 5.49 -0.59 -1.18 3.84 -1.26 -0.54 114.94 117.63 1s4i s ASN 141 Ca 0.15 0.10 -0.02 0.00 0.21 0.00 0.00 52.86 53.31 1s4i s ASN 141 Cb 0.02 -1.84 0.15 0.00 -0.55 0.00 0.00 41.25 39.03 1s4i s ASN 141 CO 0.01 0.24 0.40 0.00 -2.79 0.00 0.00 177.10 174.95 1s4i s ALA 142 N -0.05 3.51 0.41 1.71 0.00 0.30 -4.96 121.76 122.68 1s4i s ALA 142 Ca 0.05 -3.20 0.08 0.00 0.00 0.00 0.00 51.96 48.90 1s4i s ALA 142 Cb -0.12 -2.58 0.88 0.00 0.00 0.00 0.00 23.12 21.30 1s4i s ALA 142 CO 0.01 -2.07 2.04 -1.35 0.00 0.00 0.00 175.76 174.39 1s4i h PRO 143 N 7.05 0.53 -1.81 0.00 0.11 -1.79 -1.95 132.00 134.13 1s4i h PRO 143 Ca -0.03 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.36 1s4i h PRO 143 Cb 0.95 -0.12 -0.34 0.00 0.11 0.00 0.00 31.00 31.61 1s4i h PRO 143 CO 0.71 0.35 0.26 -0.25 -0.21 0.00 0.00 178.00 178.86 1s4i n ASP 144 N -4.47 6.26 -4.24 -2.05 8.00 -1.26 -3.58 116.55 115.21 1s4i n ASP 144 Ca 0.05 -3.78 -0.13 0.00 0.71 0.00 0.00 54.79 51.64 1s4i n ASP 144 Cb 0.13 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.33 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 -5.24 0.49 0.21 -3.53 -4.23 -1.23 -4.80 115.64 97.31 1s4i s THR 145 Ca 0.50 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1s4i s THR 145 Cb 0.41 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1s4i s THR 145 CO -0.31 -0.34 0.50 -0.55 -0.54 0.00 0.00 174.62 173.38 1s4i s SER 146 N -3.18 -0.19 0.00 3.99 0.15 0.03 -4.14 113.70 110.37 1s4i s SER 146 Ca 0.28 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1s4i s SER 146 Cb 0.07 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1s4i s SER 146 CO 0.06 -1.07 0.94 0.18 1.20 0.00 0.00 173.24 174.55 1s4i n LEU 147 N -0.34 1.82 -4.61 3.45 4.77 -1.26 -1.12 117.00 119.70 1s4i n LEU 147 Ca -0.08 -1.82 -0.40 0.00 -0.03 0.00 0.00 56.01 53.68 1s4i n LEU 147 Cb 0.62 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1s4i n LEU 147 CO 0.19 0.45 0.30 -0.75 -1.33 0.00 0.00 177.39 176.26 1s4i s LYS 148 N -0.88 4.01 0.33 3.23 2.20 -1.26 -4.87 119.74 122.49 1s4i s LYS 148 Ca 0.00 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.65 1s4i s LYS 148 Cb 0.00 -3.68 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 1s4i s LYS 148 CO 0.00 -0.43 1.48 0.21 -0.36 0.00 0.00 175.35 176.25 1s4i s LYS 149 N 2.42 4.17 0.00 4.03 2.20 -1.26 -1.80 119.74 129.50 1s4i s LYS 149 Ca 0.23 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1s4i s LYS 149 Cb -0.15 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1s4i s LYS 149 CO 0.10 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1s4i n GLY 150 N 1.28 3.02 3.60 5.54 0.00 -1.26 -5.07 105.19 112.29 1s4i n GLY 150 Ca 0.04 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 1s4i n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s4i n SER 151 N 1.36 1.48 0.27 1.61 2.88 -0.74 -4.83 113.62 115.65 1s4i n SER 151 Ca 0.00 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 58.89 1s4i n SER 151 Cb 0.00 -1.30 0.73 0.00 -0.75 0.00 0.00 64.21 62.89 1s4i n SER 151 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1s4i h LYS 152 N 2.36 0.00 -0.11 -1.46 2.10 -1.98 -2.51 116.57 114.97 1s4i h LYS 152 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1s4i h LYS 152 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1s4i h LYS 152 CO 0.63 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.36 1s4i n LEU 153 N -3.00 1.71 -4.67 7.07 4.77 -1.26 -4.75 117.00 116.87 1s4i n LEU 153 Ca 0.00 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 1s4i n LEU 153 Cb 0.27 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1s4i n LEU 153 CO 0.25 0.33 1.24 0.21 -1.33 0.00 0.00 177.39 178.10 1s4i s ASN 154 N -1.74 6.76 0.00 -1.43 2.47 -0.95 -0.79 114.94 119.26 1s4i s ASN 154 Ca 0.35 2.15 0.27 0.00 0.42 0.00 0.00 52.86 56.04 1s4i s ASN 154 Cb 0.19 -2.55 0.80 0.00 -1.45 0.00 0.00 41.25 38.24 1s4i s ASN 154 CO 0.29 -0.83 1.59 2.30 -3.72 0.00 0.00 177.10 176.74 1s4i n ILE 155 N 5.10 0.00 -3.22 -5.21 -5.35 -0.28 -4.25 119.36 106.14 1s4i n ILE 155 Ca 0.15 -0.22 -0.27 0.00 -0.27 0.00 0.00 62.75 62.14 1s4i n ILE 155 Cb 0.43 0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 1s4i n ILE 155 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s4i n LEU 156 N -0.11 4.10 0.00 7.28 4.77 -1.26 -3.55 117.00 128.23 1s4i n LEU 156 Ca 0.15 -5.54 -0.15 0.00 -0.03 0.00 0.00 56.01 50.44 1s4i n LEU 156 Cb 0.38 -0.63 0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1s4i n LEU 156 CO 0.21 2.18 0.39 -0.90 -1.33 0.00 0.00 177.39 177.94 1s4i n ASP 157 N 0.40 0.56 0.09 -1.43 3.85 -1.26 -4.88 116.55 113.88 1s4i n ASP 157 Ca 0.30 -1.54 0.17 0.00 -0.71 0.00 0.00 54.79 53.01 1s4i n ASP 157 Cb 0.40 -0.45 0.69 0.00 -1.35 0.00 0.00 41.12 40.41 1s4i n ASP 157 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1s4i h GLU 158 N 0.00 0.00 0.00 0.11 4.11 -1.98 0.98 114.58 117.81 1s4i h GLU 158 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1s4i h GLU 158 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1s4i h GLU 158 CO 0.20 0.00 -0.22 -0.44 0.07 0.00 0.00 179.01 178.62 1s4i h ASP 159 N 0.00 0.00 -0.49 3.06 3.32 -1.93 -3.50 116.42 116.89 1s4i h ASP 159 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1s4i h ASP 159 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1s4i h ASP 159 CO -0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1s4i n GLY 160 N 1.17 -0.16 3.27 2.75 0.00 0.34 -0.38 105.19 112.18 1s4i n GLY 160 Ca 0.04 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 0.12 0.00 1.61 0.01 -0.82 -2.61 113.70 108.02 1s4i s SER 161 Ca 0.00 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.41 1s4i s SER 161 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 1s4i s SER 161 CO 0.00 -0.82 -0.14 0.00 0.41 0.00 0.00 173.24 172.69 1s4i s ALA 162 N -3.96 1.17 -0.21 1.44 0.00 -0.32 -0.23 121.76 119.64 1s4i s ALA 162 Ca 0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 1s4i s ALA 162 Cb 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1s4i s ALA 162 CO -0.02 0.27 0.10 -0.06 0.00 0.00 0.00 175.76 176.05 1s4i s PHE 163 N -0.44 3.27 0.01 0.00 0.08 -0.21 -0.13 117.98 120.55 1s4i s PHE 163 Ca 0.05 0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1s4i s PHE 163 Cb -0.06 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1s4i s PHE 163 CO -0.00 0.09 -0.09 0.42 -0.10 0.00 0.00 175.22 175.53 1s4i s ILE 164 N 0.70 0.74 0.05 0.64 1.01 -0.37 -0.33 121.20 123.64 1s4i s ILE 164 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1s4i s ILE 164 Cb -0.13 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1s4i s ILE 164 CO 0.02 0.10 0.09 -0.63 0.00 0.00 0.00 174.94 174.52 1s4i s ILE 165 N -0.43 4.68 0.39 2.92 1.01 -0.47 -1.87 121.20 127.43 1s4i s ILE 165 Ca 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1s4i s ILE 165 Cb -0.05 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1s4i s ILE 165 CO -0.00 0.21 0.24 -1.00 0.00 0.00 0.00 174.94 174.39 1s4i s HIS 166 N -1.32 2.69 0.25 3.97 3.76 -0.10 -0.90 115.29 123.64 1s4i s HIS 166 Ca 0.27 -0.47 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1s4i s HIS 166 Cb -0.12 -1.91 0.29 0.00 1.11 0.00 0.00 32.58 31.94 1s4i s HIS 166 CO 0.19 0.14 1.59 1.49 -0.85 0.00 0.00 174.74 177.30 1s4i h GLU 167 N 1.33 0.27 -5.07 1.40 4.81 -0.63 -3.40 114.58 113.29 1s4i h GLU 167 Ca -0.43 -0.17 -0.55 0.00 -0.13 0.00 0.00 59.36 58.09 1s4i h GLU 167 Cb 1.26 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.52 1s4i h GLU 167 CO 0.63 0.75 -0.53 -0.65 -0.73 0.00 0.00 179.01 178.48 1s4i s GLN 168 N -3.88 1.89 0.32 1.92 -0.21 0.40 -4.92 119.66 115.18 1s4i s GLN 168 Ca -0.04 -2.14 -0.25 0.00 0.02 0.00 0.00 55.36 52.95 1s4i s GLN 168 Cb 0.12 -0.67 -0.10 0.00 1.00 0.00 0.00 33.01 33.36 1s4i s GLN 168 CO 0.80 -0.43 0.92 0.00 -2.12 0.00 0.00 175.29 174.46 1s4i s ALA 169 N -3.22 3.21 0.11 6.09 0.00 -1.13 -1.86 121.76 124.96 1s4i s ALA 169 Ca 0.25 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1s4i s ALA 169 Cb 0.04 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1s4i s ALA 169 CO 0.14 0.19 0.89 0.34 0.00 0.00 0.00 175.76 177.32 1s4i s ASP 170 N -1.68 7.43 0.00 0.00 -1.08 -1.26 -4.09 116.67 115.99 1s4i s ASP 170 Ca 0.51 1.71 0.27 0.00 -0.52 0.00 0.00 52.55 54.51 1s4i s ASP 170 Cb -0.17 -2.55 0.84 0.00 -1.46 0.00 0.00 42.92 39.57 1s4i s ASP 170 CO 0.22 0.01 1.63 -0.90 0.52 0.00 0.00 175.17 176.65 1s4i n ASP 171 N 2.51 1.87 -1.50 -0.34 5.75 -0.84 -4.90 116.55 119.11 1s4i n ASP 171 Ca -0.00 -1.62 -0.16 0.00 -0.01 0.00 0.00 54.79 52.99 1s4i n ASP 171 Cb 0.49 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 1s4i n ASP 171 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1s4i n TYR 172 N 0.46 -0.35 0.00 2.11 0.53 -1.26 -4.76 117.16 113.90 1s4i n TYR 172 Ca 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.06 1s4i n TYR 172 Cb 0.41 -3.01 0.00 0.00 -1.03 0.00 0.00 39.34 35.72 1s4i n TYR 172 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1s4i n LEU 173 N -2.03 0.00 -4.70 7.72 4.77 -1.26 -0.27 117.00 121.23 1s4i n LEU 173 Ca -0.17 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 1s4i n LEU 173 Cb 0.58 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 1s4i n LEU 173 CO 0.23 -0.39 0.44 -0.89 -1.33 0.00 0.00 177.39 175.45 1s4i s THR 174 N -1.78 5.01 0.55 -5.08 2.01 -1.26 -4.76 115.64 110.34 1s4i s THR 174 Ca 0.00 1.43 -0.19 0.00 0.31 0.00 0.00 61.69 63.24 1s4i s THR 174 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1s4i s THR 174 CO 0.00 0.18 1.14 0.20 -0.69 0.00 0.00 174.62 175.45 1s4i s ASN 175 N 0.95 5.65 0.00 3.53 -0.87 -1.26 -0.70 114.94 122.23 1s4i s ASN 175 Ca 0.36 2.20 0.24 0.00 -1.57 0.00 0.00 52.86 54.09 1s4i s ASN 175 Cb -0.17 -2.58 0.31 0.00 -0.02 0.00 0.00 41.25 38.78 1s4i s ASN 175 CO 0.15 -1.27 1.27 -0.81 -2.57 0.00 0.00 177.10 173.88 1s4i n PRO 176 N -1.35 0.01 -1.73 -0.60 -0.04 -1.26 -4.72 135.00 125.32 1s4i n PRO 176 Ca 0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1s4i n PRO 176 Cb 0.51 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1s4i n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s4i n SER 177 N -1.52 0.74 -0.47 3.54 3.41 -1.21 -4.54 113.62 113.57 1s4i n SER 177 Ca 0.05 -2.01 -0.06 0.00 -0.26 0.00 0.00 58.87 56.59 1s4i n SER 177 Cb 0.34 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.15 0.84 3.73 5.00 0.00 0.12 -3.51 105.19 111.51 1s4i n GLY 178 Ca 0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1s4i n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s4i n ASN 179 N 0.45 -2.05 -0.35 1.61 3.02 -1.26 -1.98 115.26 114.70 1s4i n ASN 179 Ca -0.06 -0.80 0.13 0.00 -0.03 0.00 0.00 54.58 53.82 1s4i n ASN 179 Cb 0.25 -4.09 0.39 0.00 -0.61 0.00 0.00 39.78 35.72 1s4i n ASN 179 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1s4i n SER 180 N -3.01 1.29 0.00 6.41 7.64 -1.23 -4.68 113.62 120.03 1s4i n SER 180 Ca -0.22 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1s4i n SER 180 Cb 0.64 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1s4i n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s4i n GLY 181 N 1.29 -0.16 3.79 0.23 0.00 -1.26 -0.45 105.19 108.64 1s4i n GLY 181 Ca 0.14 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.18 2.47 -0.29 4.61 0.00 -1.26 -4.59 121.76 121.52 1s4i s ALA 182 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 1s4i s ALA 182 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 1s4i s ALA 182 CO 0.00 -1.47 0.80 1.03 0.00 0.00 0.00 175.76 176.12 1s4i s ARG 183 N -4.90 4.02 -0.02 0.00 0.52 -1.26 -0.39 118.95 116.92 1s4i s ARG 183 Ca 0.60 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 56.53 1s4i s ARG 183 Cb -0.16 -3.71 -0.07 0.00 0.52 0.00 0.00 34.95 31.54 1s4i s ARG 183 CO 0.54 -0.64 0.07 0.44 0.02 0.00 0.00 175.30 175.74 1s4i n ILE 184 N 5.47 0.12 -4.12 1.52 -5.35 -0.08 -4.32 119.36 112.60 1s4i n ILE 184 Ca 0.04 -0.14 -0.15 0.00 -0.27 0.00 0.00 62.75 62.23 1s4i n ILE 184 Cb 0.48 -0.08 -0.14 0.00 -1.74 0.00 0.00 39.64 38.16 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 -2.26 0.42 0.01 7.28 1.01 -0.97 -3.80 120.40 122.08 1s4i s VAL 185 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1s4i s VAL 185 Cb 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1s4i s VAL 185 CO 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 175.10 175.23 1s4i s GLY 187 N -0.50 0.27 -0.18 0.00 0.00 0.55 -1.05 107.32 106.40 1s4i s GLY 187 Ca -0.01 0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.57 1s4i s GLY 187 CO -0.00 0.50 0.77 0.00 0.00 0.00 0.00 173.10 174.37 1s4i s ALA 188 N 0.89 3.53 -0.54 3.20 0.00 -1.26 -1.05 121.76 126.53 1s4i s ALA 188 Ca -0.09 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 1s4i s ALA 188 Cb -0.13 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 19.89 1s4i s ALA 188 CO -0.01 -0.64 0.78 -1.17 0.00 0.00 0.00 175.76 174.71 1s4i s LEU 189 N 2.13 4.60 0.00 0.00 2.96 0.67 -4.83 118.68 124.21 1s4i s LEU 189 Ca 0.35 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1s4i s LEU 189 Cb -0.16 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.94 1s4i s LEU 189 CO 0.11 -1.08 0.00 0.00 -1.32 0.00 0.00 176.35 174.07