#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 n SER 2 N 0.00 5.59 -4.03 1.61 7.64 -1.26 -5.01 113.62 118.17 1x43 n SER 2 Ca 0.00 -3.76 -0.09 0.00 1.01 0.00 0.00 58.87 56.04 1x43 n SER 2 Cb 0.00 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.57 1x43 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x43 s SER 3 N -3.11 0.37 0.00 6.43 0.01 -1.26 -5.08 113.70 111.06 1x43 s SER 3 Ca 0.54 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1x43 s SER 3 Cb 0.43 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1x43 s SER 3 CO -0.02 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1x43 n GLY 4 N 1.05 -1.81 3.45 3.44 0.00 -1.26 -5.15 105.19 104.90 1x43 n GLY 4 Ca -0.20 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.37 1.27 1.61 0.01 -1.26 -5.15 113.70 110.56 1x43 s SER 5 Ca 0.00 -1.26 -0.20 0.00 1.31 0.00 0.00 55.95 55.80 1x43 s SER 5 Cb 0.00 0.56 0.31 0.00 0.21 0.00 0.00 66.02 67.10 1x43 s SER 5 CO 0.00 -1.11 1.05 -0.94 0.41 0.00 0.00 173.24 172.64 1x43 s SER 6 N -3.14 0.29 0.00 2.44 1.04 -1.26 -3.76 113.70 109.30 1x43 s SER 6 Ca 0.30 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1x43 s SER 6 Cb 0.01 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1x43 s SER 6 CO 0.14 -4.52 0.00 0.61 0.98 0.00 0.00 173.24 170.45 1x43 n GLY 7 N -0.11 1.14 3.83 7.32 0.00 -1.26 -4.93 105.19 111.18 1x43 n GLY 7 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1x43 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x43 s LEU 8 N 0.00 2.15 0.52 0.99 1.43 -1.25 -4.89 118.68 117.62 1x43 s LEU 8 Ca 0.00 0.67 0.33 0.00 -1.03 0.00 0.00 54.13 54.11 1x43 s LEU 8 Cb 0.00 -2.87 1.48 0.00 0.03 0.00 0.00 46.19 44.82 1x43 s LEU 8 CO 0.00 -2.68 1.80 0.78 0.23 0.00 0.00 176.35 176.48 1x43 h ASN 9 N -1.59 0.08 -3.13 2.29 2.35 -1.91 -3.40 115.58 110.26 1x43 h ASN 9 Ca -0.47 0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 54.77 1x43 h ASN 9 Cb 1.30 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.72 1x43 h ASN 9 CO 0.52 0.01 0.81 -1.81 -1.65 0.00 0.00 177.43 175.31 1x43 s ASP 10 N -5.18 6.62 -0.12 5.81 1.01 -1.26 -5.01 116.67 118.54 1x43 s ASP 10 Ca -0.06 2.65 -0.01 0.00 0.71 0.00 0.00 52.55 55.84 1x43 s ASP 10 Cb 0.23 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1x43 s ASP 10 CO 0.80 -0.76 -0.07 -0.76 0.21 0.00 0.00 175.17 174.59 1x43 s LEU 11 N 0.30 3.09 0.63 1.23 1.43 -1.26 -4.54 118.68 119.56 1x43 s LEU 11 Ca 0.64 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1x43 s LEU 11 Cb -0.43 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1x43 s LEU 11 CO 0.38 0.24 1.04 -0.75 0.23 0.00 0.00 176.35 177.49 1x43 s LYS 12 N -0.08 3.29 -0.36 1.70 2.20 -1.26 -4.94 119.74 120.28 1x43 s LYS 12 Ca 0.00 0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1x43 s LYS 12 Cb -0.13 -2.04 0.15 0.00 -1.51 0.00 0.00 37.83 34.30 1x43 s LYS 12 CO 0.03 -0.82 2.31 -1.91 -0.36 0.00 0.00 175.35 174.60 1x43 n GLU 13 N -2.62 2.01 -3.19 4.03 2.13 -1.26 -4.79 120.64 116.95 1x43 n GLU 13 Ca 0.07 -1.82 -0.45 0.00 0.66 0.00 0.00 57.16 55.63 1x43 n GLU 13 Cb 0.54 -1.80 -0.00 0.00 0.27 0.00 0.00 31.44 30.44 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1x43 s SER 14 N 0.27 7.19 -0.67 4.31 0.01 -1.26 -4.88 113.70 118.67 1x43 s SER 14 Ca 0.41 -3.30 -0.04 0.00 1.31 0.00 0.00 55.95 54.33 1x43 s SER 14 Cb 0.29 -2.28 0.14 0.00 0.21 0.00 0.00 66.02 64.38 1x43 s SER 14 CO -0.07 -0.48 2.54 -1.20 0.41 0.00 0.00 173.24 174.43 1x43 n SER 15 N 3.88 6.93 -1.72 2.44 7.64 -1.26 -4.70 113.62 126.82 1x43 n SER 15 Ca 0.28 -3.34 -0.10 0.00 1.01 0.00 0.00 58.87 56.72 1x43 n SER 15 Cb 0.41 -1.22 0.03 0.00 -1.01 0.00 0.00 64.21 62.42 1x43 n SER 15 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x43 n ASN 16 N 0.68 5.87 -3.49 6.43 3.02 -1.26 -4.83 115.26 121.68 1x43 n ASN 16 Ca 0.52 -2.80 -0.11 0.00 -0.03 0.00 0.00 54.58 52.15 1x43 n ASN 16 Cb 0.44 -1.05 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 1x43 n ASN 16 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x43 s ASN 17 N 0.82 -0.50 0.26 6.41 4.22 -1.26 -5.06 114.94 119.82 1x43 s ASN 17 Ca 0.19 -0.10 0.06 0.00 -2.14 0.00 0.00 52.86 50.87 1x43 s ASN 17 Cb 0.15 0.60 -0.03 0.00 1.28 0.00 0.00 41.25 43.25 1x43 s ASN 17 CO -0.00 -0.99 0.32 -0.13 -2.04 0.00 0.00 177.10 174.25 1x43 s ARG 18 N -3.77 3.20 0.03 3.55 1.81 -0.62 -4.97 118.95 118.17 1x43 s ARG 18 Ca 0.02 -0.91 0.06 0.00 -1.72 0.00 0.00 55.73 53.18 1x43 s ARG 18 Cb -0.01 -2.75 -0.02 0.00 -0.45 0.00 0.00 34.95 31.71 1x43 s ARG 18 CO -0.11 0.36 -0.17 0.15 -0.68 0.00 0.00 175.30 174.85 1x43 s LYS 19 N -3.96 1.17 0.02 3.54 -0.14 -1.26 -0.97 119.74 118.15 1x43 s LYS 19 Ca 0.35 -0.79 -0.16 0.00 -1.36 0.00 0.00 55.97 54.01 1x43 s LYS 19 Cb -0.08 -1.21 0.03 0.00 -1.68 0.00 0.00 37.83 34.88 1x43 s LYS 19 CO 0.28 0.31 0.36 0.00 -0.76 0.00 0.00 175.35 175.54 1x43 s ALA 20 N -0.73 -0.86 -0.19 5.17 0.00 -1.20 -3.86 121.76 120.08 1x43 s ALA 20 Ca 0.05 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 1x43 s ALA 20 Cb -0.08 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1x43 s ALA 20 CO 0.01 -0.39 0.08 0.50 0.00 0.00 0.00 175.76 175.96 1x43 s ARG 21 N -2.16 4.00 0.30 0.00 3.52 -1.22 -2.94 118.95 120.45 1x43 s ARG 21 Ca -0.08 -0.33 -0.29 0.00 -0.13 0.00 0.00 55.73 54.91 1x43 s ARG 21 Cb -0.02 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 30.00 1x43 s ARG 21 CO -0.00 0.24 1.17 0.08 -0.81 0.00 0.00 175.30 175.97 1x43 s VAL 22 N 0.48 3.24 -0.15 7.11 1.01 0.14 -1.42 120.40 130.81 1x43 s VAL 22 Ca 0.04 1.25 0.17 0.00 0.00 0.00 0.00 61.98 63.44 1x43 s VAL 22 Cb -0.12 -3.80 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 1x43 s VAL 22 CO 0.00 0.30 0.26 0.18 0.00 0.00 0.00 175.10 175.84 1x43 n LEU 23 N 1.07 0.22 -3.77 3.92 4.77 0.84 -1.72 117.00 122.33 1x43 n LEU 23 Ca -0.01 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1x43 n LEU 23 Cb 0.44 0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 1x43 n LEU 23 CO 0.56 0.43 -0.03 -0.31 -1.33 0.00 0.00 177.39 176.70 1x43 s TYR 24 N -2.60 -0.31 0.11 -1.77 1.51 -1.26 -4.55 117.35 108.48 1x43 s TYR 24 Ca -0.08 0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 56.42 1x43 s TYR 24 Cb 0.07 0.11 -0.10 0.00 -0.11 0.00 0.00 41.96 41.93 1x43 s TYR 24 CO 0.83 -0.18 1.83 0.16 -1.11 0.00 0.00 175.55 177.08 1x43 s ASP 25 N 0.04 6.44 -0.16 2.29 -4.77 -1.26 -4.53 116.67 114.72 1x43 s ASP 25 Ca -0.01 2.73 -0.04 0.00 -3.30 0.00 0.00 52.55 51.93 1x43 s ASP 25 Cb -0.02 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.22 1x43 s ASP 25 CO 0.01 -1.00 -0.03 -0.47 0.70 0.00 0.00 175.17 174.38 1x43 s TYR 26 N 2.88 3.04 -0.51 2.11 5.04 0.22 -4.92 117.35 125.21 1x43 s TYR 26 Ca 0.81 -0.30 -0.17 0.00 -2.44 0.00 0.00 57.07 54.98 1x43 s TYR 26 Cb -0.45 -1.97 0.09 0.00 0.35 0.00 0.00 41.96 39.97 1x43 s TYR 26 CO 0.36 -0.04 0.50 0.16 -1.34 0.00 0.00 175.55 175.18 1x43 s ASP 27 N 0.41 6.18 -0.06 4.32 -4.77 -1.26 0.00 116.67 121.49 1x43 s ASP 27 Ca -0.03 -1.36 -0.38 0.00 -3.30 0.00 0.00 52.55 47.47 1x43 s ASP 27 Cb -0.14 -2.22 -0.17 0.00 -1.09 0.00 0.00 42.92 39.30 1x43 s ASP 27 CO 0.03 -0.79 1.47 0.00 0.70 0.00 0.00 175.17 176.57 1x43 n ALA 28 N 5.52 -0.89 0.08 2.11 0.00 -1.26 -4.86 120.51 121.21 1x43 n ALA 28 Ca -0.11 0.48 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1x43 n ALA 28 Cb 0.43 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 1x43 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x43 h ALA 29 N 5.37 0.40 -2.81 0.00 0.00 -1.92 -3.48 119.26 116.82 1x43 h ALA 29 Ca -0.47 -0.83 -0.34 0.00 0.00 0.00 0.00 54.91 53.27 1x43 h ALA 29 Cb 1.34 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1x43 h ALA 29 CO 0.84 1.08 -0.44 0.54 0.00 0.00 0.00 179.25 181.27 1x43 s ASN 30 N -6.85 0.97 0.10 0.00 6.03 -1.26 -5.05 114.94 108.87 1x43 s ASN 30 Ca -0.01 -1.54 -0.34 0.00 -1.03 0.00 0.00 52.86 49.94 1x43 s ASN 30 Cb 0.10 0.53 -0.14 0.00 -3.03 0.00 0.00 41.25 38.70 1x43 s ASN 30 CO 0.83 -1.05 1.58 0.28 -2.03 0.00 0.00 177.10 176.71 1x43 h SER 31 N 2.28 -1.27 -1.34 3.54 0.02 -1.99 -1.67 113.55 113.12 1x43 h SER 31 Ca -0.29 0.11 0.46 0.00 -0.84 0.00 0.00 61.79 61.23 1x43 h SER 31 Cb 1.24 0.44 -0.14 0.00 0.14 0.00 0.00 62.40 64.08 1x43 h SER 31 CO 0.42 -0.58 0.86 0.71 -1.14 0.00 0.00 176.83 177.09 1x43 h THR 32 N -0.85 0.06 -3.59 -2.27 1.35 -1.98 -3.39 112.91 102.24 1x43 h THR 32 Ca -0.03 -0.01 -0.50 0.00 -0.55 0.00 0.00 66.41 65.31 1x43 h THR 32 Cb 0.78 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 1x43 h THR 32 CO -0.12 0.01 0.05 -1.61 -0.25 0.00 0.00 175.52 173.60 1x43 s GLU 33 N -5.29 3.79 0.09 4.72 2.02 -0.63 0.52 118.70 123.93 1x43 s GLU 33 Ca -0.08 0.40 0.10 0.00 0.02 0.00 0.00 54.97 55.42 1x43 s GLU 33 Cb 0.31 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 1x43 s GLU 33 CO 0.82 0.07 -0.27 -0.51 0.02 0.00 0.00 175.26 175.40 1x43 s LEU 34 N -3.55 2.25 0.18 1.80 1.43 -0.96 -4.69 118.68 115.14 1x43 s LEU 34 Ca 0.50 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1x43 s LEU 34 Cb -0.10 -1.24 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 1x43 s LEU 34 CO 0.28 0.21 0.96 -0.44 0.23 0.00 0.00 176.35 177.59 1x43 s SER 35 N -1.70 7.56 0.07 2.29 0.01 -1.26 -4.16 113.70 116.51 1x43 s SER 35 Ca 0.13 1.89 0.10 0.00 1.31 0.00 0.00 55.95 59.37 1x43 s SER 35 Cb -0.10 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1x43 s SER 35 CO 0.04 0.04 -0.26 -0.76 0.41 0.00 0.00 173.24 172.71 1x43 s LEU 36 N -0.61 2.23 0.20 2.44 1.43 0.10 -4.93 118.68 119.54 1x43 s LEU 36 Ca 0.44 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1x43 s LEU 36 Cb -0.25 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1x43 s LEU 36 CO 0.31 0.23 0.30 -0.76 0.23 0.00 0.00 176.35 176.67 1x43 s LEU 37 N -1.51 4.26 -0.04 1.79 1.43 -1.26 0.69 118.68 124.05 1x43 s LEU 37 Ca 0.13 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 1x43 s LEU 37 Cb -0.10 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1x43 s LEU 37 CO 0.03 -0.01 0.87 0.00 0.23 0.00 0.00 176.35 177.48 1x43 s ALA 38 N -1.87 3.25 -0.46 4.21 0.00 -1.26 -3.55 121.76 122.08 1x43 s ALA 38 Ca 0.34 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1x43 s ALA 38 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1x43 s ALA 38 CO 0.28 -0.22 0.00 -0.25 0.00 0.00 0.00 175.76 175.57 1x43 n ASP 39 N 3.96 -2.31 -4.84 0.00 8.00 -0.70 -4.92 116.55 115.74 1x43 n ASP 39 Ca 0.03 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1x43 n ASP 39 Cb 0.51 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 39.95 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 -4.18 2.23 -0.11 -1.24 -1.05 -1.23 -4.89 118.70 108.23 1x43 s GLU 40 Ca 0.00 -2.16 -0.04 0.00 -0.15 0.00 0.00 54.97 52.62 1x43 s GLU 40 Cb 0.00 -1.88 0.06 0.00 -0.44 0.00 0.00 34.13 31.87 1x43 s GLU 40 CO 0.00 -0.50 0.23 0.08 0.95 0.00 0.00 175.26 176.02 1x43 s VAL 41 N -2.80 -0.31 0.38 1.83 1.01 -1.26 0.23 120.40 119.47 1x43 s VAL 41 Ca 0.23 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1x43 s VAL 41 Cb -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1x43 s VAL 41 CO 0.14 0.12 0.07 0.27 0.00 0.00 0.00 175.10 175.70 1x43 s ILE 42 N 2.19 1.08 -0.20 2.22 -4.36 -1.15 -4.98 121.20 116.01 1x43 s ILE 42 Ca -0.00 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.16 1x43 s ILE 42 Cb -0.12 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 1x43 s ILE 42 CO -0.08 0.00 0.71 -0.89 0.24 0.00 0.00 174.94 174.93 1x43 s THR 43 N -3.17 4.96 -0.01 8.37 2.01 -1.25 -3.28 115.64 123.27 1x43 s THR 43 Ca 0.29 1.36 0.08 0.00 0.31 0.00 0.00 61.69 63.73 1x43 s THR 43 Cb 0.06 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1x43 s THR 43 CO 0.14 0.06 -0.25 0.68 -0.69 0.00 0.00 174.62 174.56 1x43 s VAL 44 N 2.11 1.99 -0.09 3.82 -7.23 -0.14 -1.79 120.40 119.07 1x43 s VAL 44 Ca 0.32 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 1x43 s VAL 44 Cb -0.16 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1x43 s VAL 44 CO 0.11 0.52 0.33 0.72 -0.31 0.00 0.00 175.10 176.46 1x43 s PHE 45 N -0.63 -0.30 0.24 2.82 -0.71 -0.54 -1.60 117.98 117.26 1x43 s PHE 45 Ca 0.10 0.68 -0.24 0.00 -1.04 0.00 0.00 56.93 56.43 1x43 s PHE 45 Cb -0.10 0.11 -0.09 0.00 -1.21 0.00 0.00 43.02 41.74 1x43 s PHE 45 CO -0.00 -0.25 0.83 -1.12 -1.34 0.00 0.00 175.22 173.34 1x43 s SER 46 N -0.34 7.29 -0.01 1.98 0.01 -1.26 0.23 113.70 121.60 1x43 s SER 46 Ca -0.05 1.66 0.05 0.00 1.31 0.00 0.00 55.95 58.92 1x43 s SER 46 Cb -0.03 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1x43 s SER 46 CO 0.02 0.06 -0.15 -0.69 0.41 0.00 0.00 173.24 172.89 1x43 s VAL 47 N -1.42 1.18 0.03 3.43 1.01 -1.26 -4.95 120.40 118.41 1x43 s VAL 47 Ca 0.43 -0.66 -0.39 0.00 0.00 0.00 0.00 61.98 61.36 1x43 s VAL 47 Cb -0.20 -0.99 -0.19 0.00 0.00 0.00 0.00 36.38 35.00 1x43 s VAL 47 CO 0.24 0.32 1.11 0.52 0.00 0.00 0.00 175.10 177.29 1x43 n VAL 48 N 2.66 0.10 0.00 2.92 0.31 -1.26 0.25 118.33 123.31 1x43 n VAL 48 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1x43 n VAL 48 Cb 0.55 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 1.74 2.07 3.27 2.92 0.00 -1.26 -5.00 105.19 108.93 1x43 n GLY 49 Ca 0.19 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 0.09 -3.04 1.61 0.00 0.14 -4.91 117.12 111.01 1x43 n MET 50 Ca 0.00 0.04 -0.37 0.00 0.00 0.00 0.00 57.70 57.37 1x43 n MET 50 Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 33.22 32.01 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 -1.05 7.13 0.64 6.12 1.11 -1.26 -4.92 116.67 124.44 1x43 s ASP 51 Ca 0.57 1.51 0.43 0.00 0.18 0.00 0.00 52.55 55.24 1x43 s ASP 51 Cb -0.45 -2.45 2.31 0.00 1.07 0.00 0.00 42.92 43.40 1x43 s ASP 51 CO 0.66 0.03 2.31 0.77 1.18 0.00 0.00 175.17 180.12 1x43 h SER 52 N 3.47 0.00 -0.54 0.27 4.64 -1.99 0.16 113.55 119.55 1x43 h SER 52 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1x43 h SER 52 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1x43 h SER 52 CO 0.65 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.08 1x43 n ASP 53 N -3.02 3.78 -3.70 4.97 9.92 -1.26 -4.83 116.55 122.41 1x43 n ASP 53 Ca -0.03 -2.28 -0.11 0.00 -0.53 0.00 0.00 54.79 51.84 1x43 n ASP 53 Cb 0.08 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 39.96 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x43 s TRP 54 N -1.66 -0.57 0.34 1.24 0.52 0.56 -2.83 118.94 116.54 1x43 s TRP 54 Ca 0.41 1.24 0.10 0.00 0.02 0.00 0.00 56.10 57.87 1x43 s TRP 54 Cb 0.25 0.24 -0.06 0.00 -1.15 0.00 0.00 33.47 32.75 1x43 s TRP 54 CO 0.22 -0.31 -0.10 -0.51 0.02 0.00 0.00 176.95 176.26 1x43 s LEU 55 N 1.12 2.73 -0.68 2.99 1.43 0.83 -4.11 118.68 123.00 1x43 s LEU 55 Ca -0.07 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 1x43 s LEU 55 Cb -0.07 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1x43 s LEU 55 CO -0.10 -0.18 1.17 -0.32 0.23 0.00 0.00 176.35 177.15 1x43 s MET 56 N -3.61 3.23 0.08 1.70 1.75 0.13 0.16 119.30 122.75 1x43 s MET 56 Ca 0.32 -0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.35 1x43 s MET 56 Cb 0.02 -4.16 -0.06 0.00 2.84 0.00 0.00 34.83 33.47 1x43 s MET 56 CO 0.16 -1.95 0.43 0.20 -0.65 0.00 0.00 175.02 173.21 1x43 s GLY 57 N 3.54 2.38 -0.18 2.11 0.00 0.13 -1.47 107.32 113.83 1x43 s GLY 57 Ca 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 1x43 s GLY 57 CO 0.16 -0.06 0.02 1.85 0.00 0.00 0.00 173.10 175.06 1x43 s GLU 58 N -1.80 0.75 -0.26 2.90 2.12 -0.74 -1.92 118.70 119.76 1x43 s GLU 58 Ca 0.32 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 1x43 s GLU 58 Cb -0.14 -2.02 0.03 0.00 0.26 0.00 0.00 34.13 32.25 1x43 s GLU 58 CO 0.18 -0.59 -0.05 0.50 -0.54 0.00 0.00 175.26 174.76 1x43 s ARG 59 N 1.83 2.81 4.66 4.30 3.52 -1.15 -3.92 118.95 131.00 1x43 s ARG 59 Ca -0.01 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1x43 s ARG 59 Cb -0.17 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1x43 s ARG 59 CO -0.08 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1x43 n GLY 60 N 4.68 1.12 2.35 8.12 0.00 -1.26 -1.52 105.19 118.68 1x43 n GLY 60 Ca -0.16 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 9.89 5.42 -4.12 1.61 3.02 -1.26 -5.02 115.26 124.79 1x43 n ASN 61 Ca 0.00 -3.75 -0.10 0.00 -0.03 0.00 0.00 54.58 50.69 1x43 n ASN 61 Cb 0.00 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.54 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 -3.65 1.13 -0.08 3.52 -0.21 -0.57 -5.18 119.66 114.61 1x43 s GLN 62 Ca 0.51 -1.45 -0.20 0.00 0.02 0.00 0.00 55.36 54.25 1x43 s GLN 62 Cb 0.42 0.30 0.04 0.00 1.00 0.00 0.00 33.01 34.77 1x43 s GLN 62 CO -0.11 -0.37 0.47 0.15 -2.12 0.00 0.00 175.29 173.30 1x43 s LYS 63 N -4.07 0.74 0.00 2.91 1.02 -1.26 -2.95 119.74 116.12 1x43 s LYS 63 Ca 0.28 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1x43 s LYS 63 Cb 0.06 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.71 1x43 s LYS 63 CO 0.06 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1x43 n GLY 64 N 1.71 -1.25 3.85 -3.33 0.00 -0.81 -4.81 105.19 100.55 1x43 n GLY 64 Ca -0.18 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.30 3.97 -0.04 1.61 1.02 0.19 -0.69 119.74 125.49 1x43 s LYS 65 Ca 0.00 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.51 1x43 s LYS 65 Cb 0.00 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1x43 s LYS 65 CO 0.00 0.38 -0.06 0.14 -0.92 0.00 0.00 175.35 174.89 1x43 s VAL 66 N -1.64 0.58 -0.09 3.17 -7.23 0.12 -2.27 120.40 113.04 1x43 s VAL 66 Ca 0.43 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 1x43 s VAL 66 Cb -0.13 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1x43 s VAL 66 CO 0.20 0.22 1.52 -2.16 -0.31 0.00 0.00 175.10 174.57 1x43 s PRO 67 N 0.65 4.20 0.34 4.82 0.04 -1.26 -0.12 135.00 143.67 1x43 s PRO 67 Ca -0.09 2.01 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1x43 s PRO 67 Cb -0.12 -3.91 0.61 0.00 0.04 0.00 0.00 34.50 31.12 1x43 s PRO 67 CO 0.00 -0.80 1.93 0.82 0.04 0.00 0.00 177.00 178.99 1x43 h ILE 68 N 5.55 1.18 0.00 0.56 5.03 -1.84 -1.61 117.51 126.37 1x43 h ILE 68 Ca -0.35 -0.57 0.00 0.00 -0.12 0.00 0.00 64.86 63.82 1x43 h ILE 68 Cb 1.15 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 1x43 h ILE 68 CO 0.96 0.22 0.15 0.71 -0.68 0.00 0.00 178.15 179.51 1x43 h THR 69 N 0.66 0.00 0.00 -0.27 1.35 -1.91 0.35 112.91 113.10 1x43 h THR 69 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1x43 h THR 69 Cb 0.15 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1x43 h THR 69 CO -0.01 0.00 -1.20 -1.22 -0.25 0.00 0.00 175.52 172.84 1x43 n TYR 70 N -2.84 0.00 -4.12 4.73 4.02 -0.62 -4.95 117.16 113.38 1x43 n TYR 70 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 1x43 n TYR 70 Cb 0.20 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.35 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 -3.31 3.51 -0.50 7.72 1.43 0.12 -0.11 118.68 127.55 1x43 s LEU 71 Ca 0.05 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1x43 s LEU 71 Cb 0.16 -2.23 0.14 0.00 0.03 0.00 0.00 46.19 44.29 1x43 s LEU 71 CO 0.88 0.17 0.29 -0.70 0.23 0.00 0.00 176.35 177.21 1x43 s GLU 72 N -2.36 1.60 -0.57 1.70 2.12 -0.51 -4.87 118.70 115.81 1x43 s GLU 72 Ca 0.26 -2.36 -0.35 0.00 0.36 0.00 0.00 54.97 52.88 1x43 s GLU 72 Cb -0.12 -2.66 -0.15 0.00 0.26 0.00 0.00 34.13 31.46 1x43 s GLU 72 CO 0.19 -1.19 2.34 1.28 -0.54 0.00 0.00 175.26 177.34 1x43 n LEU 73 N 3.15 1.35 -4.57 2.70 4.77 -1.26 -3.39 117.00 119.75 1x43 n LEU 73 Ca 0.11 0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1x43 n LEU 73 Cb 0.35 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.25 1x43 n LEU 73 CO 0.26 -0.85 1.43 -0.76 -1.33 0.00 0.00 177.39 176.14 1x43 s LEU 74 N 8.05 3.06 -0.05 2.23 1.43 -1.25 -4.92 118.68 127.22 1x43 s LEU 74 Ca 1.17 -1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1x43 s LEU 74 Cb -1.03 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1x43 s LEU 74 CO 0.50 -3.06 0.10 0.20 0.23 0.00 0.00 176.35 174.32 1x43 s ASN 75 N 7.18 5.94 -0.30 2.29 0.02 -1.26 -5.04 114.94 123.77 1x43 s ASN 75 Ca 0.70 0.28 -0.10 0.00 -1.02 0.00 0.00 52.86 52.72 1x43 s ASN 75 Cb -0.03 -1.80 0.18 0.00 0.02 0.00 0.00 41.25 39.61 1x43 s ASN 75 CO 0.09 0.33 0.91 -0.55 0.02 0.00 0.00 177.10 177.90 1x43 s SER 76 N -1.42 -0.74 -0.21 -1.22 0.15 -1.26 -4.99 113.70 104.01 1x43 s SER 76 Ca 0.20 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 57.13 1x43 s SER 76 Cb -0.12 1.67 0.14 0.00 -1.71 0.00 0.00 66.02 66.00 1x43 s SER 76 CO 0.10 -0.14 1.10 -0.83 1.20 0.00 0.00 173.24 174.67 1x43 s GLY 77 N 2.83 -0.15 0.10 9.45 0.00 -1.15 -5.01 107.32 113.38 1x43 s GLY 77 Ca 0.04 2.36 0.18 0.00 0.00 0.00 0.00 44.72 47.30 1x43 s GLY 77 CO -0.15 1.21 1.55 -1.55 0.00 0.00 0.00 173.10 174.17 1x43 n PRO 78 N 0.95 0.08 -0.07 2.90 -0.04 -1.26 -3.77 135.00 133.79 1x43 n PRO 78 Ca -0.09 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1x43 n PRO 78 Cb 0.58 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1x43 n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x43 n SER 79 N -1.79 1.68 -4.56 3.54 2.88 -1.26 -5.07 113.62 109.05 1x43 n SER 79 Ca 0.03 0.28 -0.26 0.00 -1.33 0.00 0.00 58.87 57.59 1x43 n SER 79 Cb 0.19 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 62.85 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x43 s SER 80 N -5.72 3.40 0.00 -3.46 1.04 -1.25 -5.23 113.70 102.49 1x43 s SER 80 Ca -0.24 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1x43 s SER 80 Cb 0.03 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1x43 s SER 80 CO 0.36 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.71