#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 s SER 2 N 0.00 -0.19 -0.12 1.61 1.04 -1.26 -5.15 113.70 109.62 1x43 s SER 2 Ca 0.00 0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.30 1x43 s SER 2 Cb 0.00 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1x43 s SER 2 CO 0.00 -0.31 0.37 -0.55 0.98 0.00 0.00 173.24 173.72 1x43 s SER 3 N -2.15 6.57 -1.32 7.02 0.15 -1.26 -4.99 113.70 117.73 1x43 s SER 3 Ca 0.08 0.68 -0.13 0.00 0.70 0.00 0.00 55.95 57.27 1x43 s SER 3 Cb -0.01 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1x43 s SER 3 CO -0.05 0.11 2.36 0.61 1.20 0.00 0.00 173.24 177.47 1x43 n GLY 4 N 3.06 3.90 3.37 9.45 0.00 -1.26 -4.82 105.19 118.89 1x43 n GLY 4 Ca -0.11 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1x43 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x43 s SER 5 N 3.27 -0.40 -0.12 1.61 0.01 -1.26 -5.08 113.70 111.73 1x43 s SER 5 Ca 0.54 0.30 -0.24 0.00 1.31 0.00 0.00 55.95 57.86 1x43 s SER 5 Cb 0.15 0.43 -0.21 0.00 0.21 0.00 0.00 66.02 66.60 1x43 s SER 5 CO -0.04 -0.58 0.67 0.28 0.41 0.00 0.00 173.24 173.98 1x43 h SER 6 N 3.28 -0.01 0.00 2.44 0.02 -2.00 -3.48 113.55 113.79 1x43 h SER 6 Ca -0.29 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 59.87 1x43 h SER 6 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x43 h SER 6 CO 0.40 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 1x43 n GLY 7 N 1.53 2.06 3.51 -3.77 0.00 -1.26 -4.99 105.19 102.27 1x43 n GLY 7 Ca -0.08 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1x43 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x43 n LEU 8 N 0.00 0.44 -0.08 0.99 4.32 -1.26 -4.91 117.00 116.50 1x43 n LEU 8 Ca 0.00 0.15 -0.04 0.00 -0.02 0.00 0.00 56.01 56.10 1x43 n LEU 8 Cb 0.00 -1.29 -0.03 0.00 -1.62 0.00 0.00 43.42 40.47 1x43 n LEU 8 CO 0.00 -2.91 0.50 -1.13 -1.22 0.00 0.00 177.39 172.63 1x43 h ASN 9 N -2.12 -0.64 -0.31 -1.43 -0.73 -2.06 -3.43 115.58 104.85 1x43 h ASN 9 Ca -0.50 0.09 0.22 0.00 1.87 0.00 0.00 56.30 57.98 1x43 h ASN 9 Cb 1.30 0.27 -0.20 0.00 0.27 0.00 0.00 38.32 39.96 1x43 h ASN 9 CO 0.42 -0.11 0.05 -0.62 -0.37 0.00 0.00 177.43 176.80 1x43 s ASP 10 N -3.60 -0.47 -0.16 1.15 2.15 -1.26 -5.12 116.67 109.35 1x43 s ASP 10 Ca -0.04 0.17 -0.01 0.00 0.43 0.00 0.00 52.55 53.10 1x43 s ASP 10 Cb 0.03 1.35 0.04 0.00 -0.30 0.00 0.00 42.92 44.04 1x43 s ASP 10 CO 0.20 -0.09 -0.03 -0.76 -0.17 0.00 0.00 175.17 174.32 1x43 s LEU 11 N 2.95 1.42 0.03 -1.34 1.02 -1.26 -5.13 118.68 116.38 1x43 s LEU 11 Ca 0.12 -0.64 0.05 0.00 0.02 0.00 0.00 54.13 53.68 1x43 s LEU 11 Cb -0.06 -0.79 -0.02 0.00 0.02 0.00 0.00 46.19 45.33 1x43 s LEU 11 CO -0.17 -0.21 -0.15 -0.54 0.02 0.00 0.00 176.35 175.30 1x43 s LYS 12 N 1.72 1.01 -0.12 1.70 1.02 -1.26 -5.04 119.74 118.77 1x43 s LYS 12 Ca 0.01 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1x43 s LYS 12 Cb -0.15 -1.03 -0.07 0.00 -0.52 0.00 0.00 37.83 36.05 1x43 s LYS 12 CO -0.07 0.26 -0.10 0.39 -0.92 0.00 0.00 175.35 174.90 1x43 n GLU 13 N 1.97 0.29 -1.17 1.68 1.02 -1.26 -4.65 120.64 118.51 1x43 n GLU 13 Ca -0.18 0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 56.85 1x43 n GLU 13 Cb 0.55 -1.22 -0.09 0.00 -0.02 0.00 0.00 31.44 30.66 1x43 n GLU 13 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x43 n SER 14 N -2.87 5.93 -4.44 1.62 7.64 -1.26 -4.84 113.62 115.40 1x43 n SER 14 Ca -0.21 -2.86 -0.44 0.00 1.01 0.00 0.00 58.87 56.37 1x43 n SER 14 Cb 0.71 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 1x43 n SER 14 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x43 s SER 15 N 1.07 6.56 -0.41 6.43 0.01 -1.26 -4.95 113.70 121.15 1x43 s SER 15 Ca 0.55 -1.93 0.03 0.00 1.31 0.00 0.00 55.95 55.90 1x43 s SER 15 Cb 0.32 -2.39 0.12 0.00 0.21 0.00 0.00 66.02 64.28 1x43 s SER 15 CO -0.10 -1.08 0.16 0.54 0.41 0.00 0.00 173.24 173.17 1x43 s ASN 16 N 3.55 4.22 0.27 2.44 2.20 -1.26 -5.09 114.94 121.28 1x43 s ASN 16 Ca 0.30 -2.41 -0.11 0.00 -0.94 0.00 0.00 52.86 49.70 1x43 s ASN 16 Cb -0.07 -1.33 -0.00 0.00 -2.00 0.00 0.00 41.25 37.84 1x43 s ASN 16 CO -0.06 -0.32 0.49 0.54 -2.94 0.00 0.00 177.10 174.80 1x43 s ASN 17 N 0.58 0.12 0.33 3.54 2.20 -1.26 -5.06 114.94 115.39 1x43 s ASN 17 Ca 0.14 -1.07 0.08 0.00 -0.94 0.00 0.00 52.86 51.08 1x43 s ASN 17 Cb -0.22 0.61 -0.04 0.00 -2.00 0.00 0.00 41.25 39.60 1x43 s ASN 17 CO -0.07 -1.20 0.16 -0.13 -2.94 0.00 0.00 177.10 172.92 1x43 s ARG 18 N -3.72 2.43 -0.03 3.55 0.52 -0.12 -4.98 118.95 116.60 1x43 s ARG 18 Ca 0.24 -1.49 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1x43 s ARG 18 Cb -0.01 -2.23 -0.00 0.00 0.52 0.00 0.00 34.95 33.23 1x43 s ARG 18 CO 0.11 0.13 -0.13 0.15 0.02 0.00 0.00 175.30 175.58 1x43 s LYS 19 N -3.86 1.31 -0.02 3.54 -0.14 -1.26 -0.68 119.74 118.64 1x43 s LYS 19 Ca 0.38 -0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.48 1x43 s LYS 19 Cb -0.03 -1.19 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1x43 s LYS 19 CO 0.23 0.20 0.10 0.00 -0.76 0.00 0.00 175.35 175.12 1x43 s ALA 20 N 0.03 -0.23 -0.04 5.17 0.00 -1.19 -3.44 121.76 122.06 1x43 s ALA 20 Ca -0.02 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 1x43 s ALA 20 Cb -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1x43 s ALA 20 CO 0.01 -0.12 0.48 0.50 0.00 0.00 0.00 175.76 176.63 1x43 s ARG 21 N -0.60 4.19 0.22 0.00 3.52 -1.22 -2.91 118.95 122.14 1x43 s ARG 21 Ca -0.07 0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 1x43 s ARG 21 Cb -0.04 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 29.94 1x43 s ARG 21 CO 0.00 0.42 1.04 0.08 -0.81 0.00 0.00 175.30 176.03 1x43 s VAL 22 N -0.26 3.89 -0.17 7.11 1.01 0.13 -1.13 120.40 130.98 1x43 s VAL 22 Ca 0.26 1.77 0.15 0.00 0.00 0.00 0.00 61.98 64.15 1x43 s VAL 22 Cb -0.17 -4.12 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 1x43 s VAL 22 CO 0.13 0.37 0.18 0.18 0.00 0.00 0.00 175.10 175.96 1x43 n LEU 23 N 1.84 0.55 -3.83 3.92 4.77 0.39 -2.30 117.00 122.34 1x43 n LEU 23 Ca 0.00 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1x43 n LEU 23 Cb 0.46 0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1x43 n LEU 23 CO 0.52 0.53 -0.12 -0.31 -1.33 0.00 0.00 177.39 176.68 1x43 s TYR 24 N -2.52 -0.09 -0.13 -1.77 1.51 -1.26 -4.69 117.35 108.40 1x43 s TYR 24 Ca -0.11 0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 1x43 s TYR 24 Cb 0.07 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 1x43 s TYR 24 CO 0.81 -0.26 1.58 0.16 -1.11 0.00 0.00 175.55 176.73 1x43 s ASP 25 N -0.92 6.60 0.11 2.29 -4.77 -1.26 -4.43 116.67 114.29 1x43 s ASP 25 Ca -0.10 1.93 0.03 0.00 -3.30 0.00 0.00 52.55 51.11 1x43 s ASP 25 Cb -0.05 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1x43 s ASP 25 CO 0.02 -1.02 0.14 -0.47 0.70 0.00 0.00 175.17 174.53 1x43 s TYR 26 N 4.40 3.25 -0.30 2.11 5.04 0.48 -4.90 117.35 127.43 1x43 s TYR 26 Ca 0.70 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1x43 s TYR 26 Cb -0.28 -1.61 0.09 0.00 0.35 0.00 0.00 41.96 40.50 1x43 s TYR 26 CO 0.27 0.53 0.02 -0.51 -1.34 0.00 0.00 175.55 174.52 1x43 s ASP 27 N -2.71 4.39 0.20 4.32 1.11 -1.26 -0.20 116.67 122.51 1x43 s ASP 27 Ca 0.31 -1.76 -0.24 0.00 0.18 0.00 0.00 52.55 51.04 1x43 s ASP 27 Cb -0.12 -1.37 -0.15 0.00 1.07 0.00 0.00 42.92 42.36 1x43 s ASP 27 CO 0.24 -0.33 0.42 0.00 1.18 0.00 0.00 175.17 176.67 1x43 n ALA 28 N 4.48 -2.67 -0.06 5.23 0.00 -1.25 -4.89 120.51 121.35 1x43 n ALA 28 Ca -0.03 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1x43 n ALA 28 Cb 0.42 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 1x43 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x43 n ALA 29 N -0.09 1.36 -3.61 0.00 0.00 -1.26 -4.97 120.51 111.94 1x43 n ALA 29 Ca 0.15 -0.95 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1x43 n ALA 29 Cb 0.23 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1x43 n ALA 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x43 n ASN 30 N -3.08 -0.52 0.00 0.00 2.04 -1.26 -5.01 115.26 107.43 1x43 n ASN 30 Ca -0.29 -2.08 0.05 0.00 -0.44 0.00 0.00 54.58 51.82 1x43 n ASN 30 Cb 1.07 1.08 0.23 0.00 -2.53 0.00 0.00 39.78 39.63 1x43 n ASN 30 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1x43 n SER 31 N -2.12 0.00 -2.11 0.53 3.41 -1.26 -2.04 113.62 110.03 1x43 n SER 31 Ca 0.02 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.82 1x43 n SER 31 Cb 0.31 -0.41 0.22 0.00 -0.26 0.00 0.00 64.21 64.07 1x43 n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x43 n THR 32 N -1.41 3.03 -3.58 6.66 -2.24 -1.26 -4.88 114.28 110.60 1x43 n THR 32 Ca 0.03 -1.74 -0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1x43 n THR 32 Cb 0.10 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 1x43 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x43 s GLU 33 N -3.07 1.06 0.16 -0.78 2.02 -0.86 -2.40 118.70 114.83 1x43 s GLU 33 Ca 0.54 -0.37 0.10 0.00 0.02 0.00 0.00 54.97 55.26 1x43 s GLU 33 Cb 0.45 0.48 -0.04 0.00 0.10 0.00 0.00 34.13 35.12 1x43 s GLU 33 CO 0.12 -0.40 -0.22 -0.51 0.02 0.00 0.00 175.26 174.26 1x43 s LEU 34 N -2.25 2.40 0.29 1.80 1.43 -1.10 -4.62 118.68 116.64 1x43 s LEU 34 Ca -0.03 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 51.97 1x43 s LEU 34 Cb -0.00 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 45.08 1x43 s LEU 34 CO -0.05 0.08 0.98 -0.94 0.23 0.00 0.00 176.35 176.64 1x43 s SER 35 N -2.47 7.39 0.17 2.29 1.04 -1.26 -3.86 113.70 116.99 1x43 s SER 35 Ca 0.16 1.97 0.10 0.00 0.48 0.00 0.00 55.95 58.67 1x43 s SER 35 Cb -0.08 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 1x43 s SER 35 CO 0.08 -0.03 -0.22 -0.76 0.98 0.00 0.00 173.24 173.28 1x43 s LEU 36 N -1.67 2.41 0.13 2.42 1.43 0.72 -4.92 118.68 119.20 1x43 s LEU 36 Ca 0.46 -0.83 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1x43 s LEU 36 Cb -0.24 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1x43 s LEU 36 CO 0.30 0.07 -0.25 -0.76 0.23 0.00 0.00 176.35 175.94 1x43 s LEU 37 N -2.51 2.33 0.06 1.79 1.43 -1.26 -0.39 118.68 120.14 1x43 s LEU 37 Ca 0.16 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.20 1x43 s LEU 37 Cb -0.08 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 1x43 s LEU 37 CO 0.08 0.14 1.30 0.00 0.23 0.00 0.00 176.35 178.10 1x43 s ALA 38 N -1.19 3.50 -0.33 4.21 0.00 -1.26 -3.25 121.76 123.44 1x43 s ALA 38 Ca 0.14 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1x43 s ALA 38 Cb -0.10 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1x43 s ALA 38 CO 0.06 -0.60 0.28 -0.25 0.00 0.00 0.00 175.76 175.25 1x43 n ASP 39 N 4.28 -2.76 -3.92 0.00 8.00 -0.97 -4.96 116.55 116.22 1x43 n ASP 39 Ca 0.11 -0.14 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 1x43 n ASP 39 Cb 0.44 -1.64 -0.15 0.00 -0.02 0.00 0.00 41.12 39.75 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x43 s GLU 40 N -5.02 0.58 -0.27 -1.24 -1.05 -1.20 -4.92 118.70 105.58 1x43 s GLU 40 Ca 0.10 -0.13 -0.05 0.00 -0.15 0.00 0.00 54.97 54.75 1x43 s GLU 40 Cb -0.04 -0.60 0.01 0.00 -0.44 0.00 0.00 34.13 33.06 1x43 s GLU 40 CO 0.18 0.01 0.01 0.08 0.95 0.00 0.00 175.26 176.50 1x43 s VAL 41 N 0.41 3.50 0.49 1.83 1.01 -1.26 0.20 120.40 126.59 1x43 s VAL 41 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1x43 s VAL 41 Cb -0.09 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1x43 s VAL 41 CO -0.00 0.17 0.16 0.27 0.00 0.00 0.00 175.10 175.69 1x43 s ILE 42 N 1.44 1.59 -0.26 2.22 -4.36 -1.15 -4.93 121.20 115.75 1x43 s ILE 42 Ca 0.02 -1.79 -0.23 0.00 -0.26 0.00 0.00 60.65 58.39 1x43 s ILE 42 Cb -0.17 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1x43 s ILE 42 CO -0.01 0.00 0.74 -0.89 0.24 0.00 0.00 174.94 175.02 1x43 s THR 43 N -2.78 4.89 0.10 8.37 2.01 -1.26 -3.16 115.64 123.82 1x43 s THR 43 Ca 0.23 1.34 0.10 0.00 0.31 0.00 0.00 61.69 63.67 1x43 s THR 43 Cb 0.02 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1x43 s THR 43 CO 0.13 -0.05 -0.27 0.68 -0.69 0.00 0.00 174.62 174.42 1x43 s VAL 44 N 2.71 2.21 -0.12 3.82 -7.23 0.14 -1.91 120.40 120.03 1x43 s VAL 44 Ca 0.31 -1.63 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 1x43 s VAL 44 Cb -0.15 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1x43 s VAL 44 CO 0.08 0.18 0.61 0.72 -0.31 0.00 0.00 175.10 176.38 1x43 s PHE 45 N -0.97 -0.60 0.10 2.82 -0.71 -0.58 -0.95 117.98 117.09 1x43 s PHE 45 Ca 0.13 1.23 -0.22 0.00 -1.04 0.00 0.00 56.93 57.03 1x43 s PHE 45 Cb -0.10 0.30 -0.07 0.00 -1.21 0.00 0.00 43.02 41.94 1x43 s PHE 45 CO 0.05 -0.47 0.66 -1.54 -1.34 0.00 0.00 175.22 172.58 1x43 s SER 46 N -0.62 7.19 -0.04 1.98 1.04 -1.26 0.63 113.70 122.62 1x43 s SER 46 Ca -0.07 1.41 0.05 0.00 0.48 0.00 0.00 55.95 57.83 1x43 s SER 46 Cb -0.02 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1x43 s SER 46 CO 0.06 0.22 -0.20 -0.69 0.98 0.00 0.00 173.24 173.60 1x43 s VAL 47 N -0.96 2.58 -0.17 5.02 1.01 -1.26 -4.96 120.40 121.65 1x43 s VAL 47 Ca 0.32 -0.90 -0.37 0.00 0.00 0.00 0.00 61.98 61.03 1x43 s VAL 47 Cb -0.21 -1.96 -0.17 0.00 0.00 0.00 0.00 36.38 34.03 1x43 s VAL 47 CO 0.22 0.58 1.11 0.52 0.00 0.00 0.00 175.10 177.54 1x43 n VAL 48 N 2.44 0.00 0.00 2.92 0.31 -1.26 0.12 118.33 122.86 1x43 n VAL 48 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1x43 n VAL 48 Cb 0.52 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1x43 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x43 n GLY 49 N 2.17 1.97 2.43 2.92 0.00 -1.26 -4.99 105.19 108.43 1x43 n GLY 49 Ca 0.21 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x43 n MET 50 N 0.00 0.00 -2.70 1.61 0.00 0.33 -4.87 117.12 111.49 1x43 n MET 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 1x43 n MET 50 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 33.22 32.42 1x43 n MET 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1x43 s ASP 51 N -0.74 6.68 0.55 6.12 1.01 -1.26 -4.90 116.67 124.13 1x43 s ASP 51 Ca 0.43 1.80 0.35 0.00 0.71 0.00 0.00 52.55 55.84 1x43 s ASP 51 Cb -0.41 -2.55 1.53 0.00 1.01 0.00 0.00 42.92 42.50 1x43 s ASP 51 CO 0.48 -0.54 2.03 -1.28 0.21 0.00 0.00 175.17 176.08 1x43 h SER 52 N 1.77 0.00 -0.56 0.27 0.87 -2.00 -1.94 113.55 111.96 1x43 h SER 52 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1x43 h SER 52 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1x43 h SER 52 CO 0.60 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.37 1x43 n ASP 53 N -3.03 4.60 -3.70 6.23 8.00 -1.26 -4.83 116.55 122.56 1x43 n ASP 53 Ca 0.00 -2.53 -0.11 0.00 0.71 0.00 0.00 54.79 52.87 1x43 n ASP 53 Cb 0.26 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x43 s TRP 54 N -2.04 -0.61 0.42 1.24 0.52 -0.73 -3.00 118.94 114.74 1x43 s TRP 54 Ca 0.47 1.32 0.07 0.00 0.02 0.00 0.00 56.10 57.98 1x43 s TRP 54 Cb 0.32 0.27 -0.06 0.00 -1.15 0.00 0.00 33.47 32.84 1x43 s TRP 54 CO 0.20 -0.33 0.09 -0.51 0.02 0.00 0.00 176.95 176.41 1x43 s LEU 55 N 1.16 2.93 -0.59 2.99 1.43 0.72 -4.19 118.68 123.13 1x43 s LEU 55 Ca -0.07 -1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 51.56 1x43 s LEU 55 Cb -0.07 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.13 1x43 s LEU 55 CO -0.10 -0.53 0.75 -0.32 0.23 0.00 0.00 176.35 176.38 1x43 s MET 56 N -3.81 3.09 0.30 1.70 1.75 0.20 -0.38 119.30 122.15 1x43 s MET 56 Ca 0.36 -1.07 -0.09 0.00 -1.25 0.00 0.00 55.69 53.64 1x43 s MET 56 Cb 0.07 -4.21 -0.06 0.00 2.84 0.00 0.00 34.83 33.46 1x43 s MET 56 CO 0.19 -1.53 0.62 0.20 -0.65 0.00 0.00 175.02 173.85 1x43 s GLY 57 N 3.40 2.05 -0.18 2.11 0.00 -0.05 -1.52 107.32 113.13 1x43 s GLY 57 Ca 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.50 1x43 s GLY 57 CO 0.09 -0.19 0.16 1.85 0.00 0.00 0.00 173.10 175.01 1x43 s GLU 58 N -3.33 0.13 -0.27 2.90 2.12 -0.80 -2.42 118.70 117.03 1x43 s GLU 58 Ca 0.48 0.10 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1x43 s GLU 58 Cb -0.11 -1.44 0.04 0.00 0.26 0.00 0.00 34.13 32.89 1x43 s GLU 58 CO 0.26 -0.65 -0.06 0.50 -0.54 0.00 0.00 175.26 174.78 1x43 s ARG 59 N 2.24 2.53 4.33 4.30 3.52 -1.06 -4.03 118.95 130.79 1x43 s ARG 59 Ca 0.05 -1.18 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 1x43 s ARG 59 Cb -0.16 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1x43 s ARG 59 CO -0.10 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.28 1x43 n GLY 60 N 4.59 0.54 1.98 8.12 0.00 -1.26 -1.39 105.19 117.77 1x43 n GLY 60 Ca -0.15 0.60 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 1x43 n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x43 n ASN 61 N 8.76 4.61 -4.21 1.61 3.02 -1.26 -5.04 115.26 122.76 1x43 n ASN 61 Ca 0.00 -3.68 -0.12 0.00 -0.03 0.00 0.00 54.58 50.75 1x43 n ASN 61 Cb 0.00 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x43 s GLN 62 N -3.58 1.09 -0.00 3.52 -0.21 -0.48 -5.17 119.66 114.82 1x43 s GLN 62 Ca 0.49 -1.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.12 1x43 s GLN 62 Cb 0.40 0.04 0.04 0.00 1.00 0.00 0.00 33.01 34.50 1x43 s GLN 62 CO 0.03 -0.25 0.46 0.15 -2.12 0.00 0.00 175.29 173.56 1x43 s LYS 63 N -4.03 0.88 0.00 2.91 1.02 -1.26 -2.55 119.74 116.71 1x43 s LYS 63 Ca 0.29 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1x43 s LYS 63 Cb 0.07 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1x43 s LYS 63 CO 0.06 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1x43 n GLY 64 N 0.87 -0.46 3.74 -3.33 0.00 -1.01 -4.74 105.19 100.25 1x43 n GLY 64 Ca -0.20 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1x43 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x43 s LYS 65 N -2.00 4.64 -0.06 1.61 1.02 -1.01 -0.87 119.74 123.07 1x43 s LYS 65 Ca 0.00 1.30 0.04 0.00 0.02 0.00 0.00 55.97 57.33 1x43 s LYS 65 Cb 0.00 -3.34 -0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1x43 s LYS 65 CO 0.00 0.32 -0.20 0.14 -0.92 0.00 0.00 175.35 174.69 1x43 s VAL 66 N -0.33 1.67 -0.11 3.17 -7.23 0.49 -2.69 120.40 115.38 1x43 s VAL 66 Ca 0.42 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.46 1x43 s VAL 66 Cb -0.23 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1x43 s VAL 66 CO 0.28 0.47 1.54 -2.16 -0.31 0.00 0.00 175.10 174.91 1x43 s PRO 67 N 0.14 4.15 0.36 4.82 0.04 -1.26 -0.20 135.00 143.04 1x43 s PRO 67 Ca -0.08 1.98 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1x43 s PRO 67 Cb -0.14 -3.93 0.68 0.00 0.04 0.00 0.00 34.50 31.16 1x43 s PRO 67 CO 0.04 -0.86 2.01 0.82 0.04 0.00 0.00 177.00 179.05 1x43 h ILE 68 N 5.62 1.13 -0.07 0.56 5.03 -1.86 -1.00 117.51 126.92 1x43 h ILE 68 Ca -0.35 -0.28 0.02 0.00 -0.12 0.00 0.00 64.86 64.14 1x43 h ILE 68 Cb 1.15 0.25 -0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1x43 h ILE 68 CO 0.96 0.15 0.26 0.71 -0.68 0.00 0.00 178.15 179.55 1x43 h THR 69 N 0.80 0.11 0.00 -0.27 1.35 -1.91 0.47 112.91 113.47 1x43 h THR 69 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1x43 h THR 69 Cb -0.03 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1x43 h THR 69 CO -0.06 0.00 -1.21 -1.22 -0.25 0.00 0.00 175.52 172.78 1x43 n TYR 70 N -3.15 0.03 -4.16 4.73 4.02 -0.39 -4.94 117.16 113.30 1x43 n TYR 70 Ca -0.01 0.01 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 1x43 n TYR 70 Cb 0.34 -0.18 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 1x43 n TYR 70 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1x43 s LEU 71 N -3.47 3.50 -0.58 7.72 1.43 0.17 -0.46 118.68 126.99 1x43 s LEU 71 Ca 0.04 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1x43 s LEU 71 Cb 0.15 -2.18 0.16 0.00 0.03 0.00 0.00 46.19 44.36 1x43 s LEU 71 CO 0.86 0.20 0.39 -0.70 0.23 0.00 0.00 176.35 177.34 1x43 s GLU 72 N -2.13 1.87 -0.42 1.70 2.12 -0.29 -4.85 118.70 116.69 1x43 s GLU 72 Ca 0.25 -2.77 -0.42 0.00 0.36 0.00 0.00 54.97 52.38 1x43 s GLU 72 Cb -0.12 -2.77 -0.17 0.00 0.26 0.00 0.00 34.13 31.33 1x43 s GLU 72 CO 0.17 -1.27 1.96 1.28 -0.54 0.00 0.00 175.26 176.85 1x43 n LEU 73 N 2.54 1.50 -4.57 2.70 4.77 -1.26 -3.39 117.00 119.29 1x43 n LEU 73 Ca 0.19 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.56 1x43 n LEU 73 Cb 0.38 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1x43 n LEU 73 CO 0.23 -0.70 1.22 -0.76 -1.33 0.00 0.00 177.39 176.04 1x43 s LEU 74 N 5.15 3.37 0.23 2.23 1.43 -1.22 -4.88 118.68 124.98 1x43 s LEU 74 Ca 1.10 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 54.27 1x43 s LEU 74 Cb -1.27 -2.98 0.32 0.00 0.03 0.00 0.00 46.19 42.29 1x43 s LEU 74 CO 0.66 -1.70 1.80 0.78 0.23 0.00 0.00 176.35 178.12 1x43 h ASN 75 N 10.71 0.59 -3.45 2.29 2.35 -1.92 -3.37 115.58 122.79 1x43 h ASN 75 Ca -0.27 0.04 -0.63 0.00 -0.55 0.00 0.00 56.30 54.90 1x43 h ASN 75 Cb 1.08 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 39.25 1x43 h ASN 75 CO 1.20 0.35 0.36 -0.94 -1.65 0.00 0.00 177.43 176.76 1x43 s SER 76 N -5.59 6.36 0.08 5.81 1.04 -1.26 -4.96 113.70 115.18 1x43 s SER 76 Ca -0.13 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 1x43 s SER 76 Cb 0.18 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1x43 s SER 76 CO 0.77 -1.00 0.16 0.61 0.98 0.00 0.00 173.24 174.76 1x43 n GLY 77 N 5.05 1.79 0.00 7.32 0.00 -1.26 -5.01 105.19 113.08 1x43 n GLY 77 Ca 0.01 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1x43 n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x43 n PRO 78 N -0.11 0.38 -1.58 1.61 -0.04 -1.26 -4.79 135.00 129.21 1x43 n PRO 78 Ca -0.02 0.06 -0.48 0.00 -0.04 0.00 0.00 63.50 63.02 1x43 n PRO 78 Cb 0.12 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1x43 n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x43 n SER 79 N -1.11 2.89 -3.99 3.54 7.64 -1.26 -4.94 113.62 116.39 1x43 n SER 79 Ca 0.10 0.59 -0.31 0.00 1.01 0.00 0.00 58.87 60.26 1x43 n SER 79 Cb 0.08 -1.37 -0.16 0.00 -1.01 0.00 0.00 64.21 61.76 1x43 n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x43 s SER 80 N 6.24 3.80 0.00 6.43 0.01 -1.26 -5.14 113.70 123.78 1x43 s SER 80 Ca 1.01 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1x43 s SER 80 Cb -0.68 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1x43 s SER 80 CO 0.47 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.54