#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srd s THR 2 N 0.00 3.18 -0.07 0.00 -1.32 -1.26 -1.93 115.64 114.23 1srd s THR 2 Ca 0.00 -0.71 0.03 0.00 -1.21 0.00 0.00 61.69 59.79 1srd s THR 2 Cb 0.00 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 1srd s THR 2 CO 0.00 0.57 -0.14 -0.75 -2.21 0.00 0.00 174.62 172.09 1srd s LYS 3 N -0.82 1.83 0.15 7.08 2.20 0.23 -4.95 119.74 125.46 1srd s LYS 3 Ca 0.12 -0.47 0.11 0.00 -0.36 0.00 0.00 55.97 55.37 1srd s LYS 3 Cb -0.11 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 1srd s LYS 3 CO 0.01 0.06 -0.25 0.15 -0.36 0.00 0.00 175.35 174.96 1srd s LYS 4 N 0.59 1.41 0.14 4.03 1.02 -1.26 -0.21 119.74 125.45 1srd s LYS 4 Ca -0.14 -1.39 -0.07 0.00 0.02 0.00 0.00 55.97 54.39 1srd s LYS 4 Cb -0.16 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1srd s LYS 4 CO 0.04 0.42 0.21 0.00 -0.92 0.00 0.00 175.35 175.09 1srd s ALA 5 N -1.29 0.13 0.06 5.17 0.00 -0.18 -2.91 121.76 122.74 1srd s ALA 5 Ca 0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1srd s ALA 5 Cb -0.09 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1srd s ALA 5 CO 0.07 -0.57 -0.03 0.54 0.00 0.00 0.00 175.76 175.77 1srd s VAL 6 N -3.96 0.26 -0.26 0.00 0.11 0.39 -1.35 120.40 115.58 1srd s VAL 6 Ca 0.15 -1.82 -0.02 0.00 -2.93 0.00 0.00 61.98 57.36 1srd s VAL 6 Cb 0.05 -1.55 0.15 0.00 -1.53 0.00 0.00 36.38 33.50 1srd s VAL 6 CO -0.03 -0.97 0.46 0.00 -3.33 0.00 0.00 175.10 171.23 1srd s ALA 7 N -3.90 -1.51 -0.57 1.54 0.00 0.85 -0.45 121.76 117.73 1srd s ALA 7 Ca 0.08 1.21 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 1srd s ALA 7 Cb 0.08 -1.87 0.06 0.00 0.00 0.00 0.00 23.12 21.39 1srd s ALA 7 CO -0.09 -1.31 0.81 0.08 0.00 0.00 0.00 175.76 175.25 1srd s VAL 8 N 2.66 4.59 0.16 0.00 1.01 -1.26 -0.69 120.40 126.87 1srd s VAL 8 Ca 0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1srd s VAL 8 Cb -0.15 -4.49 -0.08 0.00 0.00 0.00 0.00 36.38 31.67 1srd s VAL 8 CO -0.18 -1.09 1.20 -0.76 0.00 0.00 0.00 175.10 174.27 1srd s LEU 9 N 3.38 4.44 -0.29 3.92 2.01 0.11 -4.57 118.68 127.68 1srd s LEU 9 Ca 0.21 2.20 -0.13 0.00 0.01 0.00 0.00 54.13 56.41 1srd s LEU 9 Cb -0.17 -3.60 0.12 0.00 0.01 0.00 0.00 46.19 42.55 1srd s LEU 9 CO 0.13 -0.39 0.76 -0.54 1.01 0.00 0.00 176.35 177.33 1srd s LYS 10 N 0.01 0.54 0.00 1.70 1.02 -1.04 -3.40 119.74 118.58 1srd s LYS 10 Ca 0.54 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.68 1srd s LYS 10 Cb -0.32 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1srd s LYS 10 CO 0.35 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1srd n GLY 11 N 4.78 4.46 1.19 -3.33 0.00 -1.23 -3.85 105.19 107.21 1srd n GLY 11 Ca -0.15 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.10 1srd n GLY 11 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1srd n THR 12 N 0.00 1.68 -3.20 2.61 5.66 -1.26 -4.92 114.28 114.86 1srd n THR 12 Ca 0.00 -1.28 -0.03 0.00 -3.05 0.00 0.00 64.05 59.68 1srd n THR 12 Cb 0.00 0.16 0.01 0.00 -1.55 0.00 0.00 70.33 68.95 1srd n THR 12 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1srd n SER 13 N 0.65 0.64 -2.56 1.09 7.64 -1.26 -5.00 113.62 114.82 1srd n SER 13 Ca 0.21 -1.25 -0.36 0.00 1.01 0.00 0.00 58.87 58.48 1srd n SER 13 Cb 0.76 -0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.98 1srd n SER 13 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1srd n ASN 14 N -2.58 7.42 -4.26 6.43 4.13 -1.26 -4.85 115.26 120.28 1srd n ASN 14 Ca 0.01 -3.81 -0.35 0.00 1.68 0.00 0.00 54.58 52.12 1srd n ASN 14 Cb 0.09 -0.97 -0.14 0.00 -1.54 0.00 0.00 39.78 37.22 1srd n ASN 14 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1srd s VAL 15 N -4.95 3.22 0.00 2.41 1.01 -1.26 -4.30 120.40 116.54 1srd s VAL 15 Ca 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1srd s VAL 15 Cb 0.47 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1srd s VAL 15 CO -0.18 0.24 0.00 1.21 0.00 0.00 0.00 175.10 176.36 1srd n GLU 16 N 4.74 0.00 0.00 2.72 4.07 -0.84 -3.53 120.64 127.80 1srd n GLU 16 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1srd n GLU 16 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1srd n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1srd n GLY 17 N 5.00 2.13 3.54 8.31 0.00 -1.22 -3.89 105.19 119.06 1srd n GLY 17 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1srd n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd s VAL 18 N -2.11 -0.00 -0.01 1.61 0.11 0.24 0.09 120.40 120.31 1srd s VAL 18 Ca 0.00 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1srd s VAL 18 Cb 0.00 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1srd s VAL 18 CO 0.00 0.01 -0.09 0.54 -3.33 0.00 0.00 175.10 172.23 1srd s VAL 19 N 1.21 0.70 0.03 2.04 0.11 0.13 -2.08 120.40 122.55 1srd s VAL 19 Ca -0.07 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1srd s VAL 19 Cb -0.05 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1srd s VAL 19 CO -0.13 0.21 -0.24 0.42 -3.33 0.00 0.00 175.10 172.03 1srd s THR 20 N -0.09 1.90 0.02 5.04 -4.23 -0.42 -0.10 115.64 117.76 1srd s THR 20 Ca 0.02 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1srd s THR 20 Cb -0.05 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1srd s THR 20 CO -0.00 0.34 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.52 1srd s LEU 21 N -1.08 2.12 -0.02 4.79 1.02 -0.46 -0.81 118.68 124.24 1srd s LEU 21 Ca 0.10 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 1srd s LEU 21 Cb -0.09 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.49 1srd s LEU 21 CO 0.01 0.08 0.07 -0.89 0.02 0.00 0.00 176.35 175.65 1srd s THR 22 N -0.66 0.03 -0.11 5.49 2.01 -0.46 -1.01 115.64 120.93 1srd s THR 22 Ca 0.03 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1srd s THR 22 Cb -0.07 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.30 1srd s THR 22 CO 0.01 -0.13 0.27 -1.58 -0.69 0.00 0.00 174.62 172.50 1srd s GLN 23 N -0.40 0.25 0.19 4.92 0.74 0.70 -0.52 119.66 125.54 1srd s GLN 23 Ca -0.05 0.53 0.09 0.00 0.05 0.00 0.00 55.36 55.98 1srd s GLN 23 Cb -0.03 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 1srd s GLN 23 CO 0.00 -0.14 -0.10 -1.21 -0.55 0.00 0.00 175.29 173.29 1srd s GLU 24 N 1.04 2.03 0.00 1.67 2.02 -1.26 0.76 118.70 124.95 1srd s GLU 24 Ca -0.07 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1srd s GLU 24 Cb -0.08 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1srd s GLU 24 CO -0.07 0.43 0.00 -0.25 0.02 0.00 0.00 175.26 175.39 1srd n ASP 25 N 0.00 0.00 0.00 -0.19 8.00 -0.82 -0.42 116.55 123.13 1srd n ASP 25 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1srd n ASP 25 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1srd n ASP 25 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1srd n ASP 26 N 0.00 0.00 0.00 -2.24 -0.08 -1.26 -4.98 116.55 107.98 1srd n ASP 26 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1srd n ASP 26 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1srd n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1srd n GLY 27 N 0.00 5.08 3.56 0.27 0.00 0.44 -5.13 105.19 109.41 1srd n GLY 27 Ca 0.00 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1srd n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1srd n PRO 28 N 0.00 0.13 -4.84 1.61 -0.04 -1.26 -4.78 135.00 125.81 1srd n PRO 28 Ca 0.00 0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.29 1srd n PRO 28 Cb 0.00 -2.12 -0.15 0.00 -0.04 0.00 0.00 33.50 31.19 1srd n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1srd s THR 29 N -2.10 1.88 -0.24 0.52 -4.23 0.13 -4.31 115.64 107.28 1srd s THR 29 Ca 0.67 -1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1srd s THR 29 Cb -0.29 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1srd s THR 29 CO 0.56 0.33 0.02 -0.89 -0.54 0.00 0.00 174.62 174.10 1srd s THR 30 N -0.75 3.87 -0.18 3.99 2.01 0.32 -2.12 115.64 122.78 1srd s THR 30 Ca 0.09 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1srd s THR 30 Cb -0.09 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1srd s THR 30 CO 0.01 0.37 0.01 0.54 -0.69 0.00 0.00 174.62 174.87 1srd s VAL 31 N 1.55 4.24 -0.15 3.82 0.11 0.50 -1.36 120.40 129.11 1srd s VAL 31 Ca 0.06 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1srd s VAL 31 Cb -0.15 -2.90 -0.01 0.00 -1.53 0.00 0.00 36.38 31.79 1srd s VAL 31 CO 0.00 0.45 -0.12 0.20 -3.33 0.00 0.00 175.10 172.31 1srd s ASN 32 N 0.65 4.00 -0.04 3.54 -0.87 0.01 -0.14 114.94 122.09 1srd s ASN 32 Ca 0.00 -0.36 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 1srd s ASN 32 Cb -0.14 -1.62 0.01 0.00 -0.02 0.00 0.00 41.25 39.48 1srd s ASN 32 CO 0.02 0.12 -0.09 0.68 -2.57 0.00 0.00 177.10 175.26 1srd s VAL 33 N 0.62 0.84 -0.16 1.60 -7.23 -0.67 -1.30 120.40 114.10 1srd s VAL 33 Ca -0.07 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.71 1srd s VAL 33 Cb -0.15 -0.78 0.08 0.00 0.56 0.00 0.00 36.38 36.09 1srd s VAL 33 CO 0.03 0.28 0.31 -0.60 -0.31 0.00 0.00 175.10 174.80 1srd s ARG 34 N 0.51 0.21 -0.02 4.82 3.52 -0.88 -1.93 118.95 125.17 1srd s ARG 34 Ca -0.09 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.27 1srd s ARG 34 Cb -0.12 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1srd s ARG 34 CO 0.01 -0.33 0.04 0.42 -0.81 0.00 0.00 175.30 174.63 1srd s ILE 35 N 2.47 -0.04 -0.09 4.11 1.09 -0.21 -0.59 121.20 127.94 1srd s ILE 35 Ca 0.02 0.15 0.04 0.00 -1.10 0.00 0.00 60.65 59.76 1srd s ILE 35 Cb -0.13 -0.09 -0.01 0.00 -1.06 0.00 0.00 42.46 41.18 1srd s ILE 35 CO -0.10 0.06 -0.22 -0.55 -0.10 0.00 0.00 174.94 174.03 1srd s SER 36 N 0.76 3.33 0.00 3.58 0.15 -1.26 -1.35 113.70 118.91 1srd s SER 36 Ca -0.06 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1srd s SER 36 Cb -0.09 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1srd s SER 36 CO -0.02 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1srd n GLY 37 N 3.23 1.71 3.65 9.45 0.00 -0.55 -1.99 105.19 120.70 1srd n GLY 37 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1srd n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1srd s LEU 38 N 0.00 3.43 0.26 0.99 2.96 -1.16 -4.45 118.68 120.71 1srd s LEU 38 Ca 0.00 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.65 1srd s LEU 38 Cb 0.00 -1.84 -0.10 0.00 0.50 0.00 0.00 46.19 44.75 1srd s LEU 38 CO 0.00 0.34 1.34 0.00 -1.32 0.00 0.00 176.35 176.71 1srd s ALA 39 N -0.93 3.55 0.37 5.97 0.00 -1.26 -4.25 121.76 125.21 1srd s ALA 39 Ca 0.15 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 1srd s ALA 39 Cb -0.11 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1srd s ALA 39 CO 0.05 -0.62 0.78 -0.35 0.00 0.00 0.00 175.76 175.61 1srd n PRO 40 N 1.90 0.91 0.00 0.00 -0.04 -1.26 -4.69 135.00 131.82 1srd n PRO 40 Ca 0.04 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1srd n PRO 40 Cb 0.42 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1srd n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1srd n GLY 41 N 1.51 -0.08 3.80 0.55 0.00 -0.96 -4.85 105.19 105.17 1srd n GLY 41 Ca 0.11 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1srd n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd s LYS 42 N -0.95 3.97 0.00 1.61 1.02 -1.26 0.16 119.74 124.29 1srd s LYS 42 Ca 0.00 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.33 1srd s LYS 42 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1srd s LYS 42 CO 0.00 -0.28 0.00 0.72 -0.92 0.00 0.00 175.35 174.87 1srd n HIS 43 N -0.71 0.00 -3.77 3.18 8.25 -0.92 -3.84 115.22 117.42 1srd n HIS 43 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 1srd n HIS 43 Cb 0.52 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 1srd n HIS 43 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1srd s GLY 44 N 0.00 -0.17 -0.26 -1.41 0.00 -1.20 -1.28 107.32 103.00 1srd s GLY 44 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 1srd s GLY 44 CO 0.00 0.28 0.30 -0.12 0.00 0.00 0.00 173.10 173.57 1srd s PHE 45 N -0.93 -0.54 0.21 1.90 5.36 -1.18 -1.84 117.98 120.97 1srd s PHE 45 Ca -0.10 0.15 0.08 0.00 -0.96 0.00 0.00 56.93 56.09 1srd s PHE 45 Cb -0.05 -0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.26 1srd s PHE 45 CO 0.03 -0.82 -0.14 -1.01 -1.46 0.00 0.00 175.22 171.83 1srd s HIS 46 N 2.41 1.75 -0.44 10.12 3.76 -0.93 -1.91 115.29 130.04 1srd s HIS 46 Ca 0.09 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.33 1srd s HIS 46 Cb -0.14 -0.83 0.10 0.00 1.11 0.00 0.00 32.58 32.81 1srd s HIS 46 CO -0.25 0.36 0.29 -1.17 -0.85 0.00 0.00 174.74 173.12 1srd s LEU 47 N -3.33 5.39 0.29 0.89 1.98 0.40 -1.55 118.68 122.75 1srd s LEU 47 Ca 0.23 -1.69 -0.17 0.00 -2.89 0.00 0.00 54.13 49.61 1srd s LEU 47 Cb -0.00 -1.99 -0.09 0.00 0.66 0.00 0.00 46.19 44.77 1srd s LEU 47 CO 0.08 -0.60 0.74 -1.00 -1.89 0.00 0.00 176.35 173.67 1srd s HIS 48 N 1.39 3.48 0.22 5.38 3.76 0.11 -0.20 115.29 129.42 1srd s HIS 48 Ca 0.04 1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 56.16 1srd s HIS 48 Cb -0.24 -2.59 0.33 0.00 1.11 0.00 0.00 32.58 31.19 1srd s HIS 48 CO 0.01 0.18 1.67 0.93 -0.85 0.00 0.00 174.74 176.67 1srd h GLU 49 N 2.68 0.14 -6.47 1.40 5.08 -0.36 -2.93 114.58 114.12 1srd h GLU 49 Ca -0.48 -0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.24 1srd h GLU 49 Cb 1.18 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 1srd h GLU 49 CO 0.65 0.10 -0.73 -0.06 -1.00 0.00 0.00 179.01 177.97 1srd s PHE 50 N -6.13 2.64 -1.71 4.33 0.08 0.40 -4.70 117.98 112.90 1srd s PHE 50 Ca -0.13 -0.22 0.28 0.00 0.12 0.00 0.00 56.93 56.98 1srd s PHE 50 Cb 0.19 -1.31 1.15 0.00 -0.57 0.00 0.00 43.02 42.49 1srd s PHE 50 CO 0.74 0.50 1.81 0.41 -0.10 0.00 0.00 175.22 178.58 1srd n GLY 51 N 0.14 -0.85 0.00 4.36 0.00 -1.18 -3.62 105.19 104.04 1srd n GLY 51 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1srd n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1srd n ASP 52 N -0.86 0.00 0.00 1.61 8.00 -1.26 -4.80 116.55 119.24 1srd n ASP 52 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1srd n ASP 52 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1srd n ASP 52 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1srd n THR 53 N 0.00 0.00 0.22 -3.53 -1.04 -1.25 -4.89 114.28 103.79 1srd n THR 53 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1srd n THR 53 Cb 0.00 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 68.74 1srd n THR 53 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1srd h THR 54 N 0.00 0.10 -2.42 12.58 1.35 -1.95 -3.22 112.91 119.35 1srd h THR 54 Ca 0.00 -1.06 -0.60 0.00 -0.55 0.00 0.00 66.41 64.20 1srd h THR 54 Cb 0.00 1.98 -0.41 0.00 -1.73 0.00 0.00 68.15 67.99 1srd h THR 54 CO 0.00 0.05 -0.73 -3.20 -0.25 0.00 0.00 175.52 171.39 1srd n ASN 55 N -3.12 2.36 0.00 5.36 4.05 -1.26 -5.06 115.26 117.58 1srd n ASN 55 Ca 0.03 -3.11 0.00 0.00 0.45 0.00 0.00 54.58 51.96 1srd n ASN 55 Cb 0.52 -0.67 0.00 0.00 1.23 0.00 0.00 39.78 40.86 1srd n ASN 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1srd n GLY 56 N 1.50 1.87 0.20 8.20 0.00 -1.22 -2.44 105.19 113.30 1srd n GLY 56 Ca 0.26 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1srd n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srd n MET 58 N -3.00 0.63 -0.01 0.00 2.00 -1.02 -2.31 117.12 113.40 1srd n MET 58 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.80 1srd n MET 58 Cb 0.53 -1.04 -0.12 0.00 0.00 0.00 0.00 33.22 32.59 1srd n MET 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1srd n SER 59 N -0.54 1.39 0.14 7.83 3.41 -1.16 -4.48 113.62 120.22 1srd n SER 59 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.68 1srd n SER 59 Cb 0.01 1.64 0.33 0.00 -0.26 0.00 0.00 64.21 65.93 1srd n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1srd n THR 60 N -2.10 0.78 -4.09 6.66 -2.24 -0.98 -4.60 114.28 107.73 1srd n THR 60 Ca -0.05 0.70 0.00 0.00 -2.27 0.00 0.00 64.05 62.44 1srd n THR 60 Cb 0.46 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 1srd n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1srd n GLY 61 N -1.29 -1.12 2.29 3.38 0.00 -1.26 -0.46 105.19 106.74 1srd n GLY 61 Ca -0.01 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 1srd n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1srd n PRO 62 N 0.00 -1.63 -2.55 1.61 -0.05 -1.26 -4.69 135.00 126.42 1srd n PRO 62 Ca 0.00 -1.18 -0.35 0.00 -0.05 0.00 0.00 63.50 61.92 1srd n PRO 62 Cb 0.00 -0.94 -0.04 0.00 -0.05 0.00 0.00 33.50 32.47 1srd n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1srd s HIS 63 N -2.51 3.09 -0.13 0.54 3.76 -1.26 -0.05 115.29 118.73 1srd s HIS 63 Ca 0.46 1.60 -0.29 0.00 -0.15 0.00 0.00 55.06 56.67 1srd s HIS 63 Cb -0.03 -3.08 -0.05 0.00 1.11 0.00 0.00 32.58 30.53 1srd s HIS 63 CO 0.34 -0.74 1.77 0.12 -0.85 0.00 0.00 174.74 175.38 1srd s PHE 64 N -1.88 1.79 -0.42 1.40 5.36 0.72 -4.48 117.98 120.47 1srd s PHE 64 Ca 0.64 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.93 1srd s PHE 64 Cb -0.18 -4.01 0.17 0.00 -0.34 0.00 0.00 43.02 38.66 1srd s PHE 64 CO 0.22 -3.80 0.37 1.21 -1.46 0.00 0.00 175.22 171.77 1srd s ASN 65 N 4.62 1.20 0.15 6.13 2.47 -1.26 -0.58 114.94 127.67 1srd s ASN 65 Ca 0.79 -2.80 -0.09 0.00 0.42 0.00 0.00 52.86 51.18 1srd s ASN 65 Cb -0.31 -0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.33 1srd s ASN 65 CO 0.32 -0.17 1.43 1.55 -3.72 0.00 0.00 177.10 176.52 1srd h PRO 66 N 5.72 0.77 0.00 0.43 0.13 -1.92 -2.97 132.00 134.16 1srd h PRO 66 Ca 0.22 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1srd h PRO 66 Cb 0.94 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1srd h PRO 66 CO 0.32 1.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.96 1srd n ASP 67 N -3.98 0.00 -2.93 1.44 8.00 -1.26 -4.98 116.55 112.83 1srd n ASP 67 Ca -0.04 0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.49 1srd n ASP 67 Cb 0.63 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1srd n ASP 67 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1srd n LYS 68 N -1.32 -2.08 -1.12 -1.24 4.76 -1.12 -5.05 118.16 110.99 1srd n LYS 68 Ca 0.10 1.90 0.00 0.00 -2.87 0.00 0.00 58.31 57.44 1srd n LYS 68 Cb 0.20 -3.40 0.00 0.00 -1.84 0.00 0.00 35.03 29.99 1srd n LYS 68 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1srd n LYS 69 N 1.00 0.00 -3.22 1.97 5.02 -1.26 -5.12 118.16 116.54 1srd n LYS 69 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1srd n LYS 69 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1srd n LYS 69 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1srd s THR 70 N -1.57 4.03 0.79 -0.18 -4.23 -1.06 -4.83 115.64 108.59 1srd s THR 70 Ca 0.00 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 1srd s THR 70 Cb 0.00 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 70.47 1srd s THR 70 CO 0.00 -0.24 1.15 -2.28 -0.54 0.00 0.00 174.62 172.71 1srd s HIS 71 N -2.37 2.06 0.00 3.99 2.46 0.16 -1.19 115.29 120.41 1srd s HIS 71 Ca 0.47 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.65 1srd s HIS 71 Cb -0.10 -3.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 1srd s HIS 71 CO 0.35 -2.43 0.00 0.41 -2.47 0.00 0.00 174.74 170.60 1srd n GLY 72 N -0.08 1.48 3.53 1.59 0.00 -1.25 -4.55 105.19 105.90 1srd n GLY 72 Ca 0.12 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1srd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srd s ALA 73 N -1.00 2.82 0.24 4.61 0.00 -1.25 -4.65 121.76 122.53 1srd s ALA 73 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 1srd s ALA 73 Cb 0.00 -0.65 0.44 0.00 0.00 0.00 0.00 23.12 22.91 1srd s ALA 73 CO 0.00 0.49 1.68 -1.35 0.00 0.00 0.00 175.76 176.58 1srd h PRO 74 N 3.15 0.22 -4.45 0.00 0.11 -1.91 -2.53 132.00 126.59 1srd h PRO 74 Ca -0.47 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 64.89 1srd h PRO 74 Cb 1.20 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 1srd h PRO 74 CO 0.51 0.15 1.90 -0.85 -0.21 0.00 0.00 178.00 179.50 1srd n GLU 75 N -5.19 3.37 -3.64 1.05 -0.00 -1.26 -4.71 120.64 110.26 1srd n GLU 75 Ca 0.14 -3.52 -0.06 0.00 -0.00 0.00 0.00 57.16 53.71 1srd n GLU 75 Cb 0.45 -3.11 -0.07 0.00 -0.00 0.00 0.00 31.44 28.72 1srd n GLU 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1srd s ASP 76 N 2.47 -0.26 0.07 -1.84 1.01 -0.95 -5.07 116.67 112.09 1srd s ASP 76 Ca 0.44 0.48 0.14 0.00 0.71 0.00 0.00 52.55 54.32 1srd s ASP 76 Cb 0.04 0.47 -0.15 0.00 1.01 0.00 0.00 42.92 44.30 1srd s ASP 76 CO 0.01 -0.10 0.92 1.05 0.21 0.00 0.00 175.17 177.25 1srd h GLU 77 N 3.54 0.00 0.00 8.23 9.09 -1.84 -3.34 114.58 130.26 1srd h GLU 77 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1srd h GLU 77 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1srd h GLU 77 CO 0.16 0.48 0.00 0.28 0.05 0.00 0.00 179.01 179.97 1srd h VAL 78 N 0.00 0.00 -1.41 -1.06 2.07 -1.92 -3.48 116.25 110.45 1srd h VAL 78 Ca -0.16 -0.65 -0.45 0.00 0.82 0.00 0.00 66.70 66.26 1srd h VAL 78 Cb 1.72 1.63 0.13 0.00 -1.52 0.00 0.00 31.29 33.25 1srd h VAL 78 CO 0.07 0.00 -0.81 -1.14 0.02 0.00 0.00 177.57 175.71 1srd n ARG 79 N -2.60 0.00 0.00 1.57 0.63 -1.24 -2.56 116.66 112.46 1srd n ARG 79 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1srd n ARG 79 Cb 0.45 -0.74 0.00 0.00 0.45 0.00 0.00 32.46 32.61 1srd n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1srd n HIS 80 N -1.00 0.00 0.00 -0.14 8.25 -0.33 -4.61 115.22 117.39 1srd n HIS 80 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1srd n HIS 80 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1srd n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1srd n ALA 81 N -2.56 0.00 0.94 -1.41 0.00 -1.15 -4.62 120.51 111.72 1srd n ALA 81 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1srd n ALA 81 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 1srd n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1srd n GLY 82 N 0.00 -1.51 3.60 0.00 0.00 0.25 -4.67 105.19 102.86 1srd n GLY 82 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1srd n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1srd s ASP 83 N -3.17 6.34 -0.31 1.61 1.01 -1.26 0.15 116.67 121.04 1srd s ASP 83 Ca 0.13 0.81 0.08 0.00 0.71 0.00 0.00 52.55 54.29 1srd s ASP 83 Cb 0.18 -2.54 0.49 0.00 1.01 0.00 0.00 42.92 42.06 1srd s ASP 83 CO 0.53 -1.43 1.44 0.18 0.21 0.00 0.00 175.17 176.10 1srd n LEU 84 N 8.81 4.36 0.00 1.23 7.99 -0.80 -4.04 117.00 134.55 1srd n LEU 84 Ca 0.16 -3.98 0.00 0.00 -0.01 0.00 0.00 56.01 52.19 1srd n LEU 84 Cb 0.48 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 1srd n LEU 84 CO 0.70 1.42 0.00 0.61 -1.51 0.00 0.00 177.39 178.62 1srd n GLY 85 N -1.06 2.32 3.04 -0.72 0.00 -1.25 -4.77 105.19 102.76 1srd n GLY 85 Ca 0.36 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1srd n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1srd s ASN 86 N -4.00 0.27 0.02 1.61 -0.87 -1.26 -3.12 114.94 107.58 1srd s ASN 86 Ca 0.00 -0.60 0.06 0.00 -1.57 0.00 0.00 52.86 50.75 1srd s ASN 86 Cb 0.00 0.16 -0.02 0.00 -0.02 0.00 0.00 41.25 41.37 1srd s ASN 86 CO 0.00 -0.42 -0.18 0.27 -2.57 0.00 0.00 177.10 174.20 1srd s ILE 87 N -2.26 1.41 -0.14 0.60 -4.36 -1.26 -4.96 121.20 110.22 1srd s ILE 87 Ca -0.08 -0.94 -0.02 0.00 -0.26 0.00 0.00 60.65 59.35 1srd s ILE 87 Cb -0.04 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.44 1srd s ILE 87 CO -0.04 0.25 -0.07 -0.69 0.24 0.00 0.00 174.94 174.63 1srd s VAL 88 N -0.62 3.56 -0.06 8.37 1.01 -1.26 -2.17 120.40 129.24 1srd s VAL 88 Ca 0.06 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1srd s VAL 88 Cb -0.08 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1srd s VAL 88 CO 0.01 0.51 0.55 0.00 0.00 0.00 0.00 175.10 176.16 1srd s ALA 89 N 0.30 3.48 1.17 5.51 0.00 0.12 -4.13 121.76 128.21 1srd s ALA 89 Ca -0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 1srd s ALA 89 Cb -0.15 -2.71 0.15 0.00 0.00 0.00 0.00 23.12 20.42 1srd s ALA 89 CO 0.04 0.09 0.34 0.09 0.00 0.00 0.00 175.76 176.32 1srd n ASN 90 N 3.18 -2.84 -0.18 0.00 5.03 0.29 -2.25 115.26 118.48 1srd n ASN 90 Ca -0.07 -0.35 0.14 0.00 0.87 0.00 0.00 54.58 55.18 1srd n ASN 90 Cb 0.51 -0.40 0.59 0.00 -1.02 0.00 0.00 39.78 39.46 1srd n ASN 90 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1srd n THR 91 N -4.11 0.00 0.80 3.41 5.66 -1.26 -2.19 114.28 116.58 1srd n THR 91 Ca 0.05 -0.10 0.11 0.00 -3.05 0.00 0.00 64.05 61.07 1srd n THR 91 Cb 0.24 0.04 0.11 0.00 -1.55 0.00 0.00 70.33 69.17 1srd n THR 91 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1srd n ASP 92 N -0.73 2.88 -0.32 1.09 9.92 -1.26 -4.97 116.55 123.15 1srd n ASP 92 Ca 0.16 -1.91 -0.02 0.00 -0.53 0.00 0.00 54.79 52.49 1srd n ASP 92 Cb 0.28 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1srd n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1srd n GLY 93 N 1.23 0.41 3.26 0.44 0.00 -0.93 -4.71 105.19 104.89 1srd n GLY 93 Ca 0.13 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1srd n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1srd s VAL 94 N -2.29 1.76 -0.14 1.61 -7.23 -1.26 -1.48 120.40 111.38 1srd s VAL 94 Ca 0.01 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1srd s VAL 94 Cb -0.00 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.48 1srd s VAL 94 CO 0.01 0.41 -0.09 0.00 -0.31 0.00 0.00 175.10 175.12 1srd s ALA 95 N -0.62 1.55 -0.28 1.32 0.00 -0.46 0.10 121.76 123.38 1srd s ALA 95 Ca 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1srd s ALA 95 Cb -0.09 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1srd s ALA 95 CO 0.00 -0.54 -0.07 -1.21 0.00 0.00 0.00 175.76 173.95 1srd s GLU 96 N 1.61 2.16 0.09 0.00 2.02 -1.25 -1.05 118.70 122.28 1srd s GLU 96 Ca 0.03 -1.42 0.07 0.00 0.02 0.00 0.00 54.97 53.68 1srd s GLU 96 Cb -0.14 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 1srd s GLU 96 CO -0.09 -0.64 -0.19 0.00 0.02 0.00 0.00 175.26 174.36 1srd s ALA 97 N 1.10 1.65 -0.26 5.21 0.00 -0.82 -4.97 121.76 123.67 1srd s ALA 97 Ca -0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1srd s ALA 97 Cb -0.20 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1srd s ALA 97 CO -0.05 0.32 0.02 0.99 0.00 0.00 0.00 175.76 177.04 1srd s THR 98 N -1.15 1.23 -0.12 0.00 2.01 -1.26 -1.67 115.64 114.68 1srd s THR 98 Ca 0.05 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 1srd s THR 98 Cb -0.10 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1srd s THR 98 CO 0.04 -0.33 0.00 -0.63 -0.69 0.00 0.00 174.62 173.00 1srd s ILE 99 N 1.49 4.28 -0.33 1.82 -1.09 0.81 -4.98 121.20 123.20 1srd s ILE 99 Ca 0.01 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 1srd s ILE 99 Cb -0.18 -2.84 0.10 0.00 -1.58 0.00 0.00 42.46 37.95 1srd s ILE 99 CO -0.12 0.55 0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 1srd s VAL 100 N -0.29 1.94 0.12 2.92 1.01 -1.26 -0.37 120.40 124.47 1srd s VAL 100 Ca 0.06 -2.11 0.08 0.00 0.00 0.00 0.00 61.98 60.02 1srd s VAL 100 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1srd s VAL 100 CO 0.02 -0.60 -0.14 -0.62 0.00 0.00 0.00 175.10 173.76 1srd s ASP 101 N 1.08 4.13 0.00 3.32 2.15 -0.90 -4.93 116.67 121.51 1srd s ASP 101 Ca 0.10 -0.49 0.12 0.00 0.43 0.00 0.00 52.55 52.71 1srd s ASP 101 Cb -0.19 -0.68 0.28 0.00 -0.30 0.00 0.00 42.92 42.03 1srd s ASP 101 CO -0.12 0.17 1.18 -3.20 -0.17 0.00 0.00 175.17 173.03 1srd n ASN 102 N 0.67 2.78 -0.86 -0.34 4.05 -1.26 -0.69 115.26 119.61 1srd n ASN 102 Ca -0.14 -1.87 0.08 0.00 0.45 0.00 0.00 54.58 53.10 1srd n ASN 102 Cb 0.53 -0.19 0.24 0.00 1.23 0.00 0.00 39.78 41.58 1srd n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1srd n GLN 103 N 0.68 2.99 -3.16 1.20 6.02 -1.26 -4.70 117.38 119.15 1srd n GLN 103 Ca 0.12 -2.62 -0.20 0.00 -0.01 0.00 0.00 57.00 54.29 1srd n GLN 103 Cb 0.41 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 1srd n GLN 103 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1srd n ILE 104 N -0.14 0.30 -0.58 5.09 -5.35 -1.26 -4.78 119.36 112.64 1srd n ILE 104 Ca 0.19 -4.71 -0.29 0.00 -0.27 0.00 0.00 62.75 57.67 1srd n ILE 104 Cb 0.77 -0.56 0.26 0.00 -1.74 0.00 0.00 39.64 38.37 1srd n ILE 104 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1srd s PRO 105 N -2.50 -1.41 0.00 6.28 0.04 -1.26 -4.63 135.00 131.52 1srd s PRO 105 Ca 0.41 0.56 0.08 0.00 0.04 0.00 0.00 61.00 62.09 1srd s PRO 105 Cb 0.33 -1.52 0.10 0.00 0.04 0.00 0.00 34.50 33.44 1srd s PRO 105 CO -0.09 -3.98 0.84 1.28 0.04 0.00 0.00 177.00 175.10 1srd n LEU 106 N -5.06 1.88 -3.91 -3.56 7.99 -1.26 -0.59 117.00 112.49 1srd n LEU 106 Ca 0.06 -1.20 -0.10 0.00 -0.01 0.00 0.00 56.01 54.76 1srd n LEU 106 Cb 0.56 -0.03 -0.09 0.00 -0.11 0.00 0.00 43.42 43.75 1srd n LEU 106 CO 0.54 0.40 -0.19 0.42 -1.51 0.00 0.00 177.39 177.05 1srd s THR 107 N -0.75 0.12 0.08 -5.08 -4.23 -1.26 -4.81 115.64 99.72 1srd s THR 107 Ca 0.11 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1srd s THR 107 Cb 0.07 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1srd s THR 107 CO 0.11 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1srd n GLY 108 N 0.83 -1.93 3.78 3.99 0.00 -1.26 -4.20 105.19 106.40 1srd n GLY 108 Ca -0.19 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1srd n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1srd n PRO 109 N -1.67 2.70 -0.52 1.61 -0.04 -1.26 -1.88 135.00 133.94 1srd n PRO 109 Ca 0.00 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1srd n PRO 109 Cb 0.16 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1srd n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1srd n ASN 110 N 0.61 0.00 -4.72 3.54 5.03 -1.26 -4.98 115.26 113.48 1srd n ASN 110 Ca 0.02 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.04 1srd n ASN 110 Cb 0.39 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.12 1srd n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1srd n SER 111 N 0.00 3.68 -1.55 6.41 2.88 -0.79 -4.31 113.62 119.94 1srd n SER 111 Ca 0.00 1.11 -0.09 0.00 -1.33 0.00 0.00 58.87 58.56 1srd n SER 111 Cb 0.00 -1.55 0.12 0.00 -0.75 0.00 0.00 64.21 62.03 1srd n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1srd n VAL 112 N 2.91 2.00 -3.21 2.46 0.24 0.24 -4.94 118.33 118.03 1srd n VAL 112 Ca 0.13 -0.93 -0.39 0.00 -2.04 0.00 0.00 64.34 61.10 1srd n VAL 112 Cb 0.34 -0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 31.99 1srd n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1srd s VAL 113 N -1.74 4.71 0.00 3.34 1.01 -1.26 -3.83 120.40 122.64 1srd s VAL 113 Ca 0.29 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1srd s VAL 113 Cb 0.24 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1srd s VAL 113 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1srd n GLY 114 N 1.86 0.69 0.00 4.51 0.00 -0.42 -5.00 105.19 106.82 1srd n GLY 114 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1srd n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1srd n ARG 115 N -2.17 1.45 -3.98 1.61 1.74 -1.25 -3.13 116.66 110.93 1srd n ARG 115 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1srd n ARG 115 Cb 0.03 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.35 1srd n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1srd s ALA 116 N -2.29 0.18 -0.18 7.54 0.00 -1.11 -0.44 121.76 125.46 1srd s ALA 116 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1srd s ALA 116 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1srd s ALA 116 CO 0.00 -0.09 0.00 -0.51 0.00 0.00 0.00 175.76 175.16 1srd s LEU 117 N -1.11 3.41 0.03 0.00 1.43 -1.05 0.06 118.68 121.46 1srd s LEU 117 Ca -0.11 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1srd s LEU 117 Cb -0.08 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1srd s LEU 117 CO -0.01 0.14 -0.22 -0.69 0.23 0.00 0.00 176.35 175.80 1srd s VAL 118 N 0.56 1.76 -0.29 -1.59 1.01 -0.59 -1.81 120.40 119.45 1srd s VAL 118 Ca -0.01 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 1srd s VAL 118 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1srd s VAL 118 CO 0.02 0.31 0.07 0.68 0.00 0.00 0.00 175.10 176.18 1srd s VAL 119 N -0.71 3.89 0.60 2.92 -7.23 -0.03 -2.19 120.40 117.64 1srd s VAL 119 Ca 0.08 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.42 1srd s VAL 119 Cb -0.09 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1srd s VAL 119 CO 0.01 0.10 1.03 -1.00 -0.31 0.00 0.00 175.10 174.93 1srd s HIS 120 N 1.49 3.27 0.04 2.82 3.76 -0.76 -1.08 115.29 124.83 1srd s HIS 120 Ca 0.03 1.44 -0.16 0.00 -0.15 0.00 0.00 55.06 56.21 1srd s HIS 120 Cb -0.17 -2.86 -0.29 0.00 1.11 0.00 0.00 32.58 30.37 1srd s HIS 120 CO 0.02 -0.84 1.08 1.05 -0.85 0.00 0.00 174.74 175.20 1srd h GLU 121 N 0.19 0.57 -6.13 1.40 4.11 -0.00 -3.34 114.58 111.39 1srd h GLU 121 Ca -0.46 -0.75 -0.53 0.00 0.07 0.00 0.00 59.36 57.70 1srd h GLU 121 Cb 1.20 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1srd h GLU 121 CO 0.59 1.33 -0.33 -0.51 0.07 0.00 0.00 179.01 180.17 1srd s LEU 122 N -7.94 3.12 0.50 3.06 2.01 0.91 -4.79 118.68 115.54 1srd s LEU 122 Ca -0.10 -0.94 -0.21 0.00 0.01 0.00 0.00 54.13 52.89 1srd s LEU 122 Cb 0.05 -1.69 -0.07 0.00 0.01 0.00 0.00 46.19 44.48 1srd s LEU 122 CO 0.91 -0.87 1.11 -0.70 1.01 0.00 0.00 176.35 177.81 1srd s GLU 123 N -4.23 3.62 -0.23 1.70 2.12 -1.24 -3.25 118.70 117.20 1srd s GLU 123 Ca 0.45 1.60 -0.26 0.00 0.36 0.00 0.00 54.97 57.11 1srd s GLU 123 Cb -0.03 -2.18 -0.00 0.00 0.26 0.00 0.00 34.13 32.18 1srd s GLU 123 CO 0.27 -0.62 0.88 0.34 -0.54 0.00 0.00 175.26 175.58 1srd s ASP 124 N -1.69 6.92 0.28 -1.70 2.15 -0.41 -3.29 116.67 118.93 1srd s ASP 124 Ca 0.68 1.14 -0.03 0.00 0.43 0.00 0.00 52.55 54.77 1srd s ASP 124 Cb -0.23 -2.46 0.37 0.00 -0.30 0.00 0.00 42.92 40.30 1srd s ASP 124 CO 0.28 -0.53 1.95 0.44 -0.17 0.00 0.00 175.17 177.13 1srd h ASP 125 N 7.57 1.03 0.00 -0.34 5.19 0.11 -3.46 116.42 126.52 1srd h ASP 125 Ca -0.23 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1srd h ASP 125 Cb 1.09 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1srd h ASP 125 CO 0.89 0.74 0.00 0.18 -3.12 0.00 0.00 179.24 177.93 1srd n LEU 126 N -4.41 0.00 0.00 1.55 4.32 -1.26 -2.55 117.00 114.65 1srd n LEU 126 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1srd n LEU 126 Cb 0.04 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1srd n LEU 126 CO 0.36 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1srd n GLY 127 N -2.30 1.07 0.27 -0.72 0.00 -1.26 -3.87 105.19 98.37 1srd n GLY 127 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1srd n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srd h LYS 128 N 3.57 0.00 0.00 1.61 1.57 -1.85 -3.44 116.57 118.04 1srd h LYS 128 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1srd h LYS 128 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1srd h LYS 128 CO 0.00 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 1srd n GLY 129 N -0.66 -1.07 2.81 3.86 0.00 -1.26 -5.02 105.19 103.85 1srd n GLY 129 Ca -0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1srd n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srd n GLY 130 N 4.56 1.81 0.26 -0.02 0.00 -1.26 -4.95 105.19 105.58 1srd n GLY 130 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1srd n GLY 130 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1srd h HIS 131 N 2.38 -0.53 0.00 1.61 6.17 -1.95 -3.48 115.15 119.35 1srd h HIS 131 Ca -0.19 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.88 1srd h HIS 131 Cb 1.27 0.18 0.00 0.00 2.52 0.00 0.00 27.41 31.38 1srd h HIS 131 CO 0.41 -0.21 0.00 -0.85 0.71 0.00 0.00 177.93 177.99 1srd n GLU 132 N -5.21 0.00 0.00 5.26 0.28 -1.26 -4.88 120.64 114.83 1srd n GLU 132 Ca -0.10 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.01 1srd n GLU 132 Cb 0.29 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.24 1srd n GLU 132 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1srd n LEU 133 N 0.00 0.79 -0.24 -1.84 -0.00 -1.26 -4.16 117.00 110.29 1srd n LEU 133 Ca 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 56.01 55.74 1srd n LEU 133 Cb 0.00 -0.12 0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1srd n LEU 133 CO 0.00 0.19 0.69 0.28 -0.00 0.00 0.00 177.39 178.55 1srd h SER 134 N 0.11 -0.83 0.40 1.45 0.02 -1.90 0.81 113.55 113.62 1srd h SER 134 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1srd h SER 134 Cb 0.51 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1srd h SER 134 CO 0.00 -0.26 0.00 1.55 -1.14 0.00 0.00 176.83 176.98 1srd h PRO 135 N -0.04 0.00 0.00 3.45 0.13 -1.88 -3.19 132.00 130.46 1srd h PRO 135 Ca 0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.38 1srd h PRO 135 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1srd h PRO 135 CO -0.74 0.00 -0.89 0.25 -0.23 0.00 0.00 178.00 176.39 1srd n THR 136 N -2.44 0.99 0.10 1.56 -2.24 0.18 0.40 114.28 112.84 1srd n THR 136 Ca -0.00 0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1srd n THR 136 Cb 0.15 -1.76 -0.03 0.00 -2.10 0.00 0.00 70.33 66.59 1srd n THR 136 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1srd n THR 137 N -3.67 0.00 -0.94 4.28 -1.04 0.26 -4.72 114.28 108.45 1srd n THR 137 Ca -0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1srd n THR 137 Cb 0.39 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 1srd n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1srd n GLY 138 N 1.61 0.49 4.02 3.41 0.00 -1.12 -3.56 105.19 110.05 1srd n GLY 138 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1srd n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1srd n ASN 139 N 0.71 -3.61 0.11 1.61 5.15 -1.26 0.83 115.26 118.80 1srd n ASN 139 Ca 0.00 -0.85 0.05 0.00 -0.60 0.00 0.00 54.58 53.18 1srd n ASN 139 Cb 0.00 -2.95 0.01 0.00 -0.53 0.00 0.00 39.78 36.31 1srd n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1srd h ALA 140 N 0.94 0.68 0.00 5.20 0.00 -1.60 -3.42 119.26 121.06 1srd h ALA 140 Ca -0.55 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1srd h ALA 140 Cb 1.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1srd h ALA 140 CO 0.72 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.87 1srd n GLY 141 N 1.25 0.00 0.00 0.00 0.00 -1.26 -0.06 105.19 105.12 1srd n GLY 141 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1srd n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srd n GLY 142 N 0.00 2.06 3.51 -0.02 0.00 -1.26 -4.18 105.19 105.30 1srd n GLY 142 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1srd n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srd s ARG 143 N -1.96 3.32 0.17 1.61 0.52 -1.26 0.38 118.95 121.72 1srd s ARG 143 Ca 0.00 -0.32 0.17 0.00 -0.52 0.00 0.00 55.73 55.06 1srd s ARG 143 Cb 0.00 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 1srd s ARG 143 CO 0.00 -1.35 1.11 -0.07 0.02 0.00 0.00 175.30 175.01 1srd h LEU 144 N 10.55 0.00 -7.00 2.53 3.38 -1.40 -3.47 115.31 119.90 1srd h LEU 144 Ca -0.26 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1srd h LEU 144 Cb 1.08 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 1srd h LEU 144 CO 1.04 0.47 0.52 0.00 0.09 0.00 0.00 178.44 180.55 1srd s ALA 145 N -2.99 -1.91 0.24 1.53 0.00 -1.20 -3.86 121.76 113.56 1srd s ALA 145 Ca 0.00 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 1srd s ALA 145 Cb 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1srd s ALA 145 CO 0.78 -0.35 0.49 0.00 0.00 0.00 0.00 175.76 176.68 1srd s GLY 147 N -2.99 -0.41 -0.33 0.00 0.00 -0.75 -2.48 107.32 100.36 1srd s GLY 147 Ca 0.19 1.36 -0.28 0.00 0.00 0.00 0.00 44.72 45.99 1srd s GLY 147 CO 0.07 1.12 1.02 0.14 0.00 0.00 0.00 173.10 175.45 1srd s VAL 148 N -0.16 4.55 -0.38 1.40 1.01 -1.26 -2.52 120.40 123.03 1srd s VAL 148 Ca -0.04 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 1srd s VAL 148 Cb -0.03 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1srd s VAL 148 CO 0.03 -0.48 1.98 -0.69 0.00 0.00 0.00 175.10 175.94 1srd s VAL 149 N 3.57 3.30 0.24 2.92 1.01 0.41 -4.57 120.40 127.28 1srd s VAL 149 Ca 0.43 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1srd s VAL 149 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1srd s VAL 149 CO 0.16 -0.37 0.13 -0.83 0.00 0.00 0.00 175.10 174.19 1srd s GLY 150 N 7.76 1.51 0.39 4.51 0.00 0.40 -1.30 107.32 120.59 1srd s GLY 150 Ca 0.84 -1.46 -0.25 0.00 0.00 0.00 0.00 44.72 43.85 1srd s GLY 150 CO 0.30 -1.50 1.13 1.08 0.00 0.00 0.00 173.10 174.11 1srd s LEU 151 N -3.70 4.21 0.05 0.66 1.43 -1.26 -0.47 118.68 119.60 1srd s LEU 151 Ca 0.32 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 1srd s LEU 151 Cb -0.08 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1srd s LEU 151 CO 0.23 -0.58 -0.09 0.28 0.23 0.00 0.00 176.35 176.42 1srd s THR 152 N -1.46 0.61 1.10 5.49 -1.32 -1.14 -4.77 115.64 114.15 1srd s THR 152 Ca 0.56 -1.12 -0.15 0.00 -1.21 0.00 0.00 61.69 59.77 1srd s THR 152 Cb -0.28 -0.68 0.16 0.00 -1.51 0.00 0.00 72.50 70.19 1srd s THR 152 CO 0.36 -0.37 0.48 -0.81 -2.21 0.00 0.00 174.62 172.07 1srd n PRO 153 N 1.42 -1.65 0.00 7.08 -0.04 -1.26 -4.42 135.00 136.13 1srd n PRO 153 Ca -0.22 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1srd n PRO 153 Cb 0.55 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1srd n PRO 153 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01