#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 6.73 0.04 1.61 1.04 -1.26 -4.92 113.70 116.94 1x43 s SER 2 Ca 0.00 -2.12 -0.04 0.00 0.48 0.00 0.00 55.95 54.27 1x43 s SER 2 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1x43 s SER 2 CO 0.00 -1.24 0.07 -0.44 0.98 0.00 0.00 173.24 172.60 1x43 s SER 3 N 4.32 0.24 0.00 7.02 0.01 -1.26 -5.10 113.70 118.94 1x43 s SER 3 Ca 0.49 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1x43 s SER 3 Cb 0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1x43 s SER 3 CO -0.00 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x43 n GLY 4 N 0.66 -1.92 2.77 3.44 0.00 -1.26 -5.10 105.19 103.78 1x43 n GLY 4 Ca -0.18 0.93 -0.28 0.00 0.00 0.00 0.00 46.02 46.48 1x43 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x43 s SER 5 N 0.00 3.89 0.29 1.61 1.04 -1.26 -4.96 113.70 114.31 1x43 s SER 5 Ca 0.00 -3.50 0.02 0.00 0.48 0.00 0.00 55.95 52.95 1x43 s SER 5 Cb 0.00 -1.30 0.71 0.00 0.10 0.00 0.00 66.02 65.53 1x43 s SER 5 CO 0.00 -0.13 1.64 0.28 0.98 0.00 0.00 173.24 176.01 1x43 h SER 6 N 5.66 -0.01 0.00 7.02 0.02 -2.06 -3.45 113.55 120.73 1x43 h SER 6 Ca 0.14 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1x43 h SER 6 Cb 0.82 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1x43 h SER 6 CO 0.61 -0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 1x43 n GLY 7 N -1.38 2.78 0.22 -3.77 0.00 -1.26 -5.06 105.19 96.71 1x43 n GLY 7 Ca 0.21 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 2.37 -3.82 0.99 4.32 -1.26 -5.08 117.00 114.52 1x43 n LEU 8 Ca 0.00 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.91 1x43 n LEU 8 Cb 0.00 -0.54 -0.05 0.00 -1.62 0.00 0.00 43.42 41.21 1x43 n LEU 8 CO 0.00 0.62 0.16 0.54 -1.22 0.00 0.00 177.39 177.50 1x43 s ASN 9 N -5.88 -0.15 0.00 -1.43 4.22 -1.26 -5.15 114.94 105.29 1x43 s ASN 9 Ca -0.22 -0.61 -0.20 0.00 -2.14 0.00 0.00 52.86 49.69 1x43 s ASN 9 Cb 0.07 0.52 -0.06 0.00 1.28 0.00 0.00 41.25 43.06 1x43 s ASN 9 CO 0.34 -0.99 0.57 -0.62 -2.04 0.00 0.00 177.10 174.36 1x43 s ASP 10 N -2.90 6.96 0.12 3.54 -1.08 -1.26 -5.08 116.67 116.96 1x43 s ASP 10 Ca 0.12 1.14 0.06 0.00 -0.52 0.00 0.00 52.55 53.34 1x43 s ASP 10 Cb 0.01 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1x43 s ASP 10 CO -0.02 0.15 -0.01 -0.76 0.52 0.00 0.00 175.17 175.04 1x43 s LEU 11 N -0.39 3.36 0.45 -1.34 1.43 -1.26 -5.09 118.68 115.85 1x43 s LEU 11 Ca 0.30 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 1x43 s LEU 11 Cb -0.18 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 1x43 s LEU 11 CO 0.17 0.15 1.08 0.29 0.23 0.00 0.00 176.35 178.27 1x43 n LYS 12 N 0.39 1.44 -0.56 1.70 4.76 -1.26 -4.85 118.16 119.78 1x43 n LYS 12 Ca -0.11 0.52 -0.10 0.00 -2.87 0.00 0.00 58.31 55.76 1x43 n LYS 12 Cb 0.53 -2.17 0.05 0.00 -1.84 0.00 0.00 35.03 31.60 1x43 n LYS 12 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1x43 n GLU 13 N -0.09 1.49 -0.32 1.97 0.28 -1.26 -4.65 120.64 118.06 1x43 n GLU 13 Ca 0.09 -1.08 -0.06 0.00 -0.16 0.00 0.00 57.16 55.95 1x43 n GLU 13 Cb 0.41 -1.42 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 1x43 n GLU 13 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x43 n SER 14 N 0.19 -0.73 -2.00 -1.84 7.64 -1.26 -4.82 113.62 110.80 1x43 n SER 14 Ca 0.21 1.41 -0.11 0.00 1.01 0.00 0.00 58.87 61.39 1x43 n SER 14 Cb 0.78 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.79 1x43 n SER 14 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x43 n SER 15 N -5.06 -3.86 -4.29 6.43 2.88 -1.26 -4.97 113.62 103.49 1x43 n SER 15 Ca 0.04 -0.26 -0.44 0.00 -1.33 0.00 0.00 58.87 56.87 1x43 n SER 15 Cb 0.25 -2.67 0.00 0.00 -0.75 0.00 0.00 64.21 61.04 1x43 n SER 15 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x43 n ASN 16 N -0.82 5.61 -3.56 -3.46 3.02 -1.26 -4.95 115.26 109.84 1x43 n ASN 16 Ca -0.01 -3.09 -0.07 0.00 -0.03 0.00 0.00 54.58 51.37 1x43 n ASN 16 Cb 0.53 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 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 1.04 -0.27 0.33 6.41 2.20 -1.26 -5.06 114.94 118.33 1x43 s ASN 17 Ca 0.33 0.12 0.07 0.00 -0.94 0.00 0.00 52.86 52.44 1x43 s ASN 17 Cb -0.06 0.26 -0.01 0.00 -2.00 0.00 0.00 41.25 39.44 1x43 s ASN 17 CO -0.03 -0.38 0.46 -0.13 -2.94 0.00 0.00 177.10 174.08 1x43 s ARG 18 N -2.17 3.12 0.01 3.55 0.52 -0.48 -4.96 118.95 118.54 1x43 s ARG 18 Ca 0.05 -1.01 0.05 0.00 -0.52 0.00 0.00 55.73 54.29 1x43 s ARG 18 Cb -0.01 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.63 1x43 s ARG 18 CO -0.05 0.08 -0.15 0.15 0.02 0.00 0.00 175.30 175.35 1x43 s LYS 19 N -4.16 1.14 0.03 3.54 -0.14 -1.26 -1.13 119.74 117.76 1x43 s LYS 19 Ca 0.45 -0.62 -0.13 0.00 -1.36 0.00 0.00 55.97 54.30 1x43 s LYS 19 Cb -0.09 -1.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.95 1x43 s LYS 19 CO 0.31 0.30 0.28 0.00 -0.76 0.00 0.00 175.35 175.48 1x43 s ALA 20 N -0.51 -0.64 -0.18 5.17 0.00 -1.19 -3.65 121.76 120.75 1x43 s ALA 20 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1x43 s ALA 20 Cb -0.06 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1x43 s ALA 20 CO 0.00 -0.37 0.12 0.50 0.00 0.00 0.00 175.76 176.01 1x43 s ARG 21 N -2.28 4.00 0.10 0.00 3.52 -1.23 -2.80 118.95 120.26 1x43 s ARG 21 Ca -0.07 -0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 54.99 1x43 s ARG 21 Cb -0.02 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1x43 s ARG 21 CO -0.02 0.38 1.26 0.08 -0.81 0.00 0.00 175.30 176.19 1x43 s VAL 22 N 0.11 3.71 -0.07 7.11 1.01 0.13 -1.94 120.40 130.46 1x43 s VAL 22 Ca 0.08 1.27 0.14 0.00 0.00 0.00 0.00 61.98 63.47 1x43 s VAL 22 Cb -0.11 -3.81 -0.20 0.00 0.00 0.00 0.00 36.38 32.26 1x43 s VAL 22 CO -0.01 0.12 0.72 0.18 0.00 0.00 0.00 175.10 176.11 1x43 n LEU 23 N 3.64 0.87 -3.77 3.92 4.77 0.68 -1.71 117.00 125.39 1x43 n LEU 23 Ca 0.09 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1x43 n LEU 23 Cb 0.45 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1x43 n LEU 23 CO 0.57 0.31 -0.02 -0.31 -1.33 0.00 0.00 177.39 176.60 1x43 s TYR 24 N -2.71 -0.24 -0.09 -1.77 1.51 -1.26 -4.60 117.35 108.21 1x43 s TYR 24 Ca -0.04 0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1x43 s TYR 24 Cb 0.08 0.09 -0.05 0.00 -0.11 0.00 0.00 41.96 41.97 1x43 s TYR 24 CO 0.82 -0.27 1.72 0.16 -1.11 0.00 0.00 175.55 176.87 1x43 s ASP 25 N -0.63 6.51 0.09 2.29 -4.77 -1.26 -4.50 116.67 114.41 1x43 s ASP 25 Ca -0.07 2.14 0.01 0.00 -3.30 0.00 0.00 52.55 51.33 1x43 s ASP 25 Cb -0.04 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 1x43 s ASP 25 CO 0.02 -1.07 0.22 -0.47 0.70 0.00 0.00 175.17 174.57 1x43 s TYR 26 N 4.59 3.47 -0.33 2.11 5.04 0.26 -4.92 117.35 127.57 1x43 s TYR 26 Ca 0.76 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 1x43 s TYR 26 Cb -0.33 -1.71 0.09 0.00 0.35 0.00 0.00 41.96 40.36 1x43 s TYR 26 CO 0.31 0.56 0.04 0.34 -1.34 0.00 0.00 175.55 175.46 1x43 s ASP 27 N -2.75 4.81 0.15 4.32 -1.08 -1.26 -1.47 116.67 119.38 1x43 s ASP 27 Ca 0.34 -1.86 -0.34 0.00 -0.52 0.00 0.00 52.55 50.18 1x43 s ASP 27 Cb -0.12 -1.66 -0.13 0.00 -1.46 0.00 0.00 42.92 39.54 1x43 s ASP 27 CO 0.28 -0.36 1.63 0.00 0.52 0.00 0.00 175.17 177.23 1x43 n ALA 28 N 4.40 1.53 -0.11 3.66 0.00 -1.25 -4.89 120.51 123.85 1x43 n ALA 28 Ca -0.03 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1x43 n ALA 28 Cb 0.42 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 6.35 0.52 -3.68 0.00 0.00 -1.91 -3.47 119.26 117.07 1x43 h ALA 29 Ca -0.45 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 53.81 1x43 h ALA 29 Cb 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1x43 h ALA 29 CO 0.90 0.63 -0.01 0.27 0.00 0.00 0.00 179.25 181.04 1x43 n ASN 30 N -4.09 -1.63 -0.26 0.00 0.23 -1.26 -5.02 115.26 103.23 1x43 n ASN 30 Ca -0.03 -2.77 -0.01 0.00 -0.53 0.00 0.00 54.58 51.24 1x43 n ASN 30 Cb 0.54 2.90 0.05 0.00 -2.08 0.00 0.00 39.78 41.19 1x43 n ASN 30 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1x43 h SER 31 N 1.94 -1.04 -1.33 0.53 0.87 -1.97 0.60 113.55 113.15 1x43 h SER 31 Ca -0.29 0.25 0.40 0.00 -1.23 0.00 0.00 61.79 60.92 1x43 h SER 31 Cb 1.18 0.57 -0.10 0.00 -0.44 0.00 0.00 62.40 63.62 1x43 h SER 31 CO 0.38 -0.28 0.90 0.71 -0.53 0.00 0.00 176.83 178.00 1x43 h THR 32 N -0.07 0.25 -3.10 2.23 1.35 -1.97 -3.39 112.91 108.21 1x43 h THR 32 Ca 0.31 -0.04 -0.63 0.00 -0.55 0.00 0.00 66.41 65.50 1x43 h THR 32 Cb 0.57 0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.02 1x43 h THR 32 CO -0.79 0.02 -0.59 -1.61 -0.25 0.00 0.00 175.52 172.30 1x43 s GLU 33 N -5.20 2.91 0.12 4.72 2.02 0.21 0.29 118.70 123.76 1x43 s GLU 33 Ca -0.07 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.30 1x43 s GLU 33 Cb 0.27 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1x43 s GLU 33 CO 0.82 0.56 -0.19 -0.51 0.02 0.00 0.00 175.26 175.96 1x43 s LEU 34 N -2.50 2.67 0.17 1.80 1.43 -1.09 -4.49 118.68 116.67 1x43 s LEU 34 Ca 0.30 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.54 1x43 s LEU 34 Cb -0.12 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 1x43 s LEU 34 CO 0.22 0.18 0.89 -0.44 0.23 0.00 0.00 176.35 177.43 1x43 s SER 35 N -2.13 7.51 0.00 2.29 0.01 -1.26 -3.90 113.70 116.22 1x43 s SER 35 Ca 0.18 1.79 0.08 0.00 1.31 0.00 0.00 55.95 59.31 1x43 s SER 35 Cb -0.11 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1x43 s SER 35 CO 0.10 0.11 -0.26 -0.76 0.41 0.00 0.00 173.24 172.84 1x43 s LEU 36 N -0.81 2.09 0.21 2.44 1.43 -0.54 -4.94 118.68 118.56 1x43 s LEU 36 Ca 0.41 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1x43 s LEU 36 Cb -0.24 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1x43 s LEU 36 CO 0.29 0.29 0.36 -0.76 0.23 0.00 0.00 176.35 176.76 1x43 s LEU 37 N -0.84 4.28 0.15 1.79 1.43 -1.26 0.89 118.68 125.13 1x43 s LEU 37 Ca 0.10 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 1x43 s LEU 37 Cb -0.10 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 1x43 s LEU 37 CO 0.00 -0.04 0.97 0.00 0.23 0.00 0.00 176.35 177.51 1x43 s ALA 38 N -1.90 3.28 -1.04 4.21 0.00 -1.26 -3.59 121.76 121.46 1x43 s ALA 38 Ca 0.36 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 1x43 s ALA 38 Cb -0.10 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1x43 s ALA 38 CO 0.29 0.01 0.66 -0.25 0.00 0.00 0.00 175.76 176.47 1x43 n ASP 39 N 2.39 -5.01 -4.74 0.00 8.00 -0.69 -4.93 116.55 111.56 1x43 n ASP 39 Ca 0.01 -0.30 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 1x43 n ASP 39 Cb 0.48 -3.73 -0.07 0.00 -0.02 0.00 0.00 41.12 37.78 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1x43 n GLU 40 N -3.44 0.74 -3.71 -1.24 0.28 -1.24 -4.91 120.64 107.14 1x43 n GLU 40 Ca -0.04 -3.79 -0.13 0.00 -0.16 0.00 0.00 57.16 53.04 1x43 n GLU 40 Cb 0.56 1.01 -0.13 0.00 1.43 0.00 0.00 31.44 34.31 1x43 n GLU 40 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1x43 s VAL 41 N -2.88 -0.17 0.29 3.84 1.01 -1.26 0.22 120.40 121.45 1x43 s VAL 41 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1x43 s VAL 41 Cb 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1x43 s VAL 41 CO 0.00 0.09 0.11 0.27 0.00 0.00 0.00 175.10 175.57 1x43 s ILE 42 N 1.68 0.59 -0.16 2.22 -4.36 -1.12 -5.00 121.20 115.05 1x43 s ILE 42 Ca -0.05 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.10 1x43 s ILE 42 Cb -0.11 -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 0.74 -0.89 0.24 0.00 0.00 174.94 174.95 1x43 s THR 43 N -3.61 4.96 0.10 8.37 2.01 -1.26 -3.15 115.64 123.06 1x43 s THR 43 Ca 0.36 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.91 1x43 s THR 43 Cb 0.07 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1x43 s THR 43 CO 0.15 0.10 -0.25 0.68 -0.69 0.00 0.00 174.62 174.60 1x43 s VAL 44 N 1.82 2.09 -0.21 3.82 -7.23 -0.28 -1.62 120.40 118.79 1x43 s VAL 44 Ca 0.35 -1.58 -0.27 0.00 -1.81 0.00 0.00 61.98 58.67 1x43 s VAL 44 Cb -0.17 -1.84 0.08 0.00 0.56 0.00 0.00 36.38 35.02 1x43 s VAL 44 CO 0.13 0.15 0.79 0.72 -0.31 0.00 0.00 175.10 176.57 1x43 s PHE 45 N -0.98 -0.67 0.59 2.82 -0.71 -0.62 -1.38 117.98 117.04 1x43 s PHE 45 Ca 0.12 1.49 -0.13 0.00 -1.04 0.00 0.00 56.93 57.36 1x43 s PHE 45 Cb -0.10 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1x43 s PHE 45 CO 0.04 -0.41 1.02 0.45 -1.34 0.00 0.00 175.22 174.99 1x43 s SER 46 N -0.17 6.25 -0.05 1.98 0.15 -1.26 0.73 113.70 121.34 1x43 s SER 46 Ca -0.02 1.50 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1x43 s SER 46 Cb -0.03 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1x43 s SER 46 CO 0.02 -0.85 0.09 -0.69 1.20 0.00 0.00 173.24 173.01 1x43 s VAL 47 N -2.97 -0.09 -0.07 4.45 1.01 -1.26 -4.89 120.40 116.58 1x43 s VAL 47 Ca 0.57 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1x43 s VAL 47 Cb -0.11 -0.17 -0.14 0.00 0.00 0.00 0.00 36.38 35.96 1x43 s VAL 47 CO 0.47 0.11 0.81 0.52 0.00 0.00 0.00 175.10 177.01 1x43 n VAL 48 N 4.52 0.00 -0.92 2.92 0.31 -1.26 0.12 118.33 124.02 1x43 n VAL 48 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1x43 n VAL 48 Cb 0.50 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 1.38 0.70 3.63 2.92 0.00 -1.26 -5.01 105.19 107.55 1x43 n GLY 49 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x43 s MET 50 N -0.08 4.07 1.06 1.61 0.00 0.33 -5.06 119.30 121.23 1x43 s MET 50 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 55.69 55.52 1x43 s MET 50 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 34.83 31.20 1x43 s MET 50 CO 0.00 -0.16 -0.67 -0.25 0.00 0.00 0.00 175.02 173.94 1x43 n ASP 51 N 4.93 -2.65 0.03 1.11 9.92 -1.26 -4.77 116.55 123.85 1x43 n ASP 51 Ca -0.09 -0.08 0.12 0.00 -0.53 0.00 0.00 54.79 54.20 1x43 n ASP 51 Cb 0.51 -0.75 0.19 0.00 -0.64 0.00 0.00 41.12 40.43 1x43 n ASP 51 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1x43 n SER 52 N 0.58 0.59 -1.53 -2.24 3.41 -1.26 -3.69 113.62 109.47 1x43 n SER 52 Ca -0.00 -0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1x43 n SER 52 Cb 0.67 0.27 0.34 0.00 -0.26 0.00 0.00 64.21 65.24 1x43 n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x43 n ASP 53 N -1.82 4.54 -3.67 4.04 9.92 -1.26 -4.79 116.55 123.51 1x43 n ASP 53 Ca 0.04 -2.40 -0.09 0.00 -0.53 0.00 0.00 54.79 51.81 1x43 n ASP 53 Cb 0.39 -0.56 -0.10 0.00 -0.64 0.00 0.00 41.12 40.21 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 -1.80 -0.75 0.50 1.24 0.52 -1.24 -2.93 118.94 114.48 1x43 s TRP 54 Ca 0.49 1.48 0.05 0.00 0.02 0.00 0.00 56.10 58.14 1x43 s TRP 54 Cb 0.31 0.31 0.01 0.00 -1.15 0.00 0.00 33.47 32.95 1x43 s TRP 54 CO 0.24 -0.44 0.30 -0.51 0.02 0.00 0.00 176.95 176.56 1x43 s LEU 55 N 2.17 2.80 -0.55 2.99 1.43 0.79 -4.42 118.68 123.89 1x43 s LEU 55 Ca -0.05 -1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 51.65 1x43 s LEU 55 Cb -0.11 -1.26 0.08 0.00 0.03 0.00 0.00 46.19 44.93 1x43 s LEU 55 CO -0.13 -0.91 0.65 -0.32 0.23 0.00 0.00 176.35 175.87 1x43 s MET 56 N -4.13 3.07 0.16 1.70 1.75 0.22 -0.16 119.30 121.92 1x43 s MET 56 Ca 0.33 -1.14 -0.09 0.00 -1.25 0.00 0.00 55.69 53.54 1x43 s MET 56 Cb -0.00 -4.19 -0.06 0.00 2.84 0.00 0.00 34.83 33.41 1x43 s MET 56 CO 0.20 -1.37 0.47 0.20 -0.65 0.00 0.00 175.02 173.86 1x43 s GLY 57 N 3.16 2.30 -0.22 2.11 0.00 0.12 -1.59 107.32 113.21 1x43 s GLY 57 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 1x43 s GLY 57 CO 0.09 -0.21 0.00 1.85 0.00 0.00 0.00 173.10 174.83 1x43 s GLU 58 N -2.47 1.06 0.02 2.90 2.12 -0.64 -1.32 118.70 120.37 1x43 s GLU 58 Ca 0.41 -0.69 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 1x43 s GLU 58 Cb -0.12 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.94 1x43 s GLU 58 CO 0.21 -0.64 0.10 0.50 -0.54 0.00 0.00 175.26 174.89 1x43 s ARG 59 N 1.65 0.52 -1.08 4.30 3.52 -0.13 -4.01 118.95 123.73 1x43 s ARG 59 Ca -0.03 -0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 54.73 1x43 s ARG 59 Cb -0.18 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.44 1x43 s ARG 59 CO -0.08 -0.13 0.69 0.41 -0.81 0.00 0.00 175.30 175.39 1x43 n GLY 60 N 1.08 -1.01 1.90 8.12 0.00 -1.26 0.75 105.19 114.78 1x43 n GLY 60 Ca -0.21 0.44 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.37 -0.90 -4.39 1.61 3.02 -1.26 -4.85 115.26 106.12 1x43 n ASN 61 Ca -0.15 0.28 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 1x43 n ASN 61 Cb 0.60 -1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 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 -3.77 1.46 0.02 3.52 -0.21 0.23 -5.16 119.66 115.74 1x43 s GLN 62 Ca 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 55.36 53.67 1x43 s GLN 62 Cb 0.00 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 32.92 1x43 s GLN 62 CO 0.00 0.07 -0.04 0.15 -2.12 0.00 0.00 175.29 173.35 1x43 s LYS 63 N -3.72 0.30 0.02 2.91 1.02 -1.26 -0.95 119.74 118.06 1x43 s LYS 63 Ca 0.27 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.72 1x43 s LYS 63 Cb 0.03 -0.06 0.03 0.00 -0.52 0.00 0.00 37.83 37.31 1x43 s LYS 63 CO 0.10 0.00 0.37 0.41 -0.92 0.00 0.00 175.35 175.31 1x43 n GLY 64 N 2.05 0.76 3.84 -3.33 0.00 -0.44 -4.82 105.19 103.26 1x43 n GLY 64 Ca -0.20 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.01 4.03 -0.03 1.61 1.02 0.14 0.15 119.74 124.66 1x43 s LYS 65 Ca 0.08 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.70 1x43 s LYS 65 Cb -0.01 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1x43 s LYS 65 CO 0.01 0.33 -0.03 0.14 -0.92 0.00 0.00 175.35 174.88 1x43 s VAL 66 N -1.69 0.40 -0.24 3.17 -7.23 0.78 -2.68 120.40 112.91 1x43 s VAL 66 Ca 0.46 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.25 1x43 s VAL 66 Cb -0.13 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1x43 s VAL 66 CO 0.19 0.17 1.62 -2.16 -0.31 0.00 0.00 175.10 174.62 1x43 s PRO 67 N 0.66 3.75 0.50 4.82 0.04 -1.26 -0.15 135.00 143.36 1x43 s PRO 67 Ca -0.08 1.61 0.20 0.00 0.04 0.00 0.00 61.00 62.77 1x43 s PRO 67 Cb -0.11 -4.05 1.26 0.00 0.04 0.00 0.00 34.50 31.64 1x43 s PRO 67 CO -0.00 -1.35 2.01 0.82 0.04 0.00 0.00 177.00 178.52 1x43 h ILE 68 N 6.21 0.82 0.00 0.56 5.03 -1.84 0.13 117.51 128.42 1x43 h ILE 68 Ca -0.33 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 1x43 h ILE 68 Cb 1.15 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.61 1x43 h ILE 68 CO 1.01 0.02 0.00 0.71 -0.68 0.00 0.00 178.15 179.21 1x43 h THR 69 N 0.13 0.00 0.00 -0.27 1.35 -1.90 0.49 112.91 112.72 1x43 h THR 69 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1x43 h THR 69 Cb 0.74 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1x43 h THR 69 CO -0.03 0.00 -1.15 -1.22 -0.25 0.00 0.00 175.52 172.87 1x43 n TYR 70 N -2.82 0.00 -4.23 4.73 4.02 0.44 -4.95 117.16 114.35 1x43 n TYR 70 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.54 1x43 n TYR 70 Cb 0.06 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.18 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 -3.27 3.64 -0.58 7.72 1.43 0.16 -0.23 118.68 127.55 1x43 s LEU 71 Ca 0.03 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1x43 s LEU 71 Cb 0.14 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.44 1x43 s LEU 71 CO 0.78 0.29 0.36 -0.70 0.23 0.00 0.00 176.35 177.31 1x43 s GLU 72 N -1.53 2.01 -0.67 1.70 2.12 -0.82 -4.86 118.70 116.65 1x43 s GLU 72 Ca 0.20 -2.81 -0.35 0.00 0.36 0.00 0.00 54.97 52.37 1x43 s GLU 72 Cb -0.12 -3.10 -0.18 0.00 0.26 0.00 0.00 34.13 31.00 1x43 s GLU 72 CO 0.10 -1.21 2.41 1.28 -0.54 0.00 0.00 175.26 177.30 1x43 n LEU 73 N 2.68 0.98 -4.69 2.70 4.77 -1.26 -3.58 117.00 118.60 1x43 n LEU 73 Ca 0.13 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 1x43 n LEU 73 Cb 0.35 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1x43 n LEU 73 CO 0.28 -0.83 1.14 -0.76 -1.33 0.00 0.00 177.39 175.89 1x43 s LEU 74 N 8.11 4.32 -0.32 2.23 1.43 -1.24 -5.00 118.68 128.21 1x43 s LEU 74 Ca 1.22 2.15 -0.08 0.00 -1.03 0.00 0.00 54.13 56.39 1x43 s LEU 74 Cb -1.15 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 41.52 1x43 s LEU 74 CO 0.52 -0.74 0.12 0.21 0.23 0.00 0.00 176.35 176.70 1x43 s ASN 75 N 1.95 5.37 0.09 2.29 3.84 -1.26 -4.96 114.94 122.25 1x43 s ASN 75 Ca 0.65 -0.77 0.06 0.00 0.21 0.00 0.00 52.86 53.00 1x43 s ASN 75 Cb -0.32 -1.94 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1x43 s ASN 75 CO 0.27 -0.24 -0.15 -0.94 -2.79 0.00 0.00 177.10 173.24 1x43 s SER 76 N 1.52 1.86 0.40 -4.21 1.04 -1.26 -5.14 113.70 107.92 1x43 s SER 76 Ca 0.02 -0.68 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 1x43 s SER 76 Cb -0.18 -0.06 -0.11 0.00 0.10 0.00 0.00 66.02 65.77 1x43 s SER 76 CO 0.04 -0.08 0.94 -0.83 0.98 0.00 0.00 173.24 174.29 1x43 s GLY 77 N -1.96 2.47 -0.12 7.32 0.00 -1.26 -5.00 107.32 108.78 1x43 s GLY 77 Ca 0.02 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 1x43 s GLY 77 CO 0.03 0.72 1.54 2.56 0.00 0.00 0.00 173.10 177.95 1x43 s PRO 78 N -2.94 4.10 -0.61 2.90 0.04 -1.26 -4.97 135.00 132.27 1x43 s PRO 78 Ca 0.59 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.60 1x43 s PRO 78 Cb -0.11 -3.94 0.17 0.00 0.04 0.00 0.00 34.50 30.66 1x43 s PRO 78 CO 0.15 -0.91 0.44 -1.12 0.04 0.00 0.00 177.00 175.60 1x43 s SER 79 N 3.19 3.76 0.18 6.66 0.01 -1.26 -5.07 113.70 121.17 1x43 s SER 79 Ca 0.68 -3.58 -0.24 0.00 1.31 0.00 0.00 55.95 54.12 1x43 s SER 79 Cb -0.28 -1.26 0.06 0.00 0.21 0.00 0.00 66.02 64.75 1x43 s SER 79 CO 0.26 -0.12 0.93 -0.94 0.41 0.00 0.00 173.24 173.78 1x43 s SER 80 N -0.95 -0.16 0.00 2.44 1.04 -1.26 -5.33 113.70 109.48 1x43 s SER 80 Ca 0.27 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1x43 s SER 80 Cb -0.03 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x43 s SER 80 CO -0.17 -0.99 0.08 0.61 0.98 0.00 0.00 173.24 173.75