#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rp3 n GLY 2 N 0.00 0.60 3.55 1.47 0.00 -1.22 -4.85 105.19 104.75 2rp3 n GLY 2 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2rp3 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rp3 n LYS 3 N 12.20 -1.27 0.09 1.61 4.01 0.72 -3.91 118.16 131.61 2rp3 n LYS 3 Ca 0.00 0.62 -0.21 0.00 -0.51 0.00 0.00 58.31 58.21 2rp3 n LYS 3 Cb 0.00 -1.80 -0.15 0.00 -0.51 0.00 0.00 35.03 32.58 2rp3 n LYS 3 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2rp3 h PHE 4 N -0.00 0.69 -0.24 2.13 -0.00 -1.69 -3.27 116.94 114.55 2rp3 h PHE 4 Ca -0.53 -0.50 0.07 0.00 -0.00 0.00 0.00 57.97 57.01 2rp3 h PHE 4 Cb 1.15 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 37.06 2rp3 h PHE 4 CO 0.18 1.52 0.29 0.77 -0.00 0.00 0.00 178.31 181.08 2rp3 h SER 5 N 0.10 0.00 -0.44 -0.68 0.02 -1.86 0.17 113.55 110.85 2rp3 h SER 5 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2rp3 h SER 5 Cb 2.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.60 2rp3 h SER 5 CO 0.20 0.00 0.29 1.56 -1.14 0.00 0.00 176.83 177.74 2rp3 h GLN 6 N 0.00 0.59 -0.41 3.45 4.20 -1.94 -2.95 115.11 118.05 2rp3 h GLN 6 Ca 0.11 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.49 2rp3 h GLN 6 Cb 0.70 -0.13 -0.35 0.00 0.30 0.00 0.00 27.48 28.00 2rp3 h GLN 6 CO -0.00 0.39 -0.92 -2.37 -0.67 0.00 0.00 178.83 175.26 2rp3 n THR 7 N -4.47 1.61 -3.80 -0.54 5.66 0.37 -5.04 114.28 108.07 2rp3 n THR 7 Ca 0.04 -3.08 -0.13 0.00 -3.05 0.00 0.00 64.05 57.83 2rp3 n THR 7 Cb 0.06 0.24 -0.12 0.00 -1.55 0.00 0.00 70.33 68.95 2rp3 n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rp3 s TYR 9 N 0.13 1.03 -1.29 0.00 1.13 0.32 -4.58 117.35 114.10 2rp3 s TYR 9 Ca -0.00 -1.20 -0.06 0.00 -1.41 0.00 0.00 57.07 54.40 2rp3 s TYR 9 Cb -0.02 -0.57 0.01 0.00 -1.10 0.00 0.00 41.96 40.28 2rp3 s TYR 9 CO 0.00 -0.45 1.11 -1.71 -2.51 0.00 0.00 175.55 171.99 2rp3 n ASN 10 N -0.18 -4.82 -4.82 -0.18 5.15 -1.26 -1.08 115.26 108.06 2rp3 n ASN 10 Ca -0.04 -0.56 -0.33 0.00 -0.60 0.00 0.00 54.58 53.05 2rp3 n ASN 10 Cb 0.64 -5.03 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 2rp3 n ASN 10 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2rp3 s SER 11 N -3.69 6.77 0.05 1.20 1.04 -1.26 -4.00 113.70 113.81 2rp3 s SER 11 Ca 0.38 1.69 -0.20 0.00 0.48 0.00 0.00 55.95 58.29 2rp3 s SER 11 Cb -0.17 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.46 2rp3 s SER 11 CO 0.72 -0.48 0.47 0.00 0.98 0.00 0.00 173.24 174.93 2rp3 s ALA 12 N -2.27 -1.17 -0.03 5.32 0.00 0.13 -4.96 121.76 118.77 2rp3 s ALA 12 Ca 0.62 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 2rp3 s ALA 12 Cb -0.10 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.43 2rp3 s ALA 12 CO 0.19 -0.50 0.08 0.42 0.00 0.00 0.00 175.76 175.95 2rp3 s ILE 13 N -2.58 -0.00 -0.37 0.00 1.01 -1.26 -0.75 121.20 117.25 2rp3 s ILE 13 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2rp3 s ILE 13 Cb -0.01 -0.12 0.16 0.00 0.01 0.00 0.00 42.46 42.50 2rp3 s ILE 13 CO -0.03 0.00 0.43 -1.58 0.00 0.00 0.00 174.94 173.77 2rp3 s GLN 14 N 0.07 0.65 0.06 2.79 -0.44 -1.14 -4.38 119.66 117.26 2rp3 s GLN 14 Ca -0.00 -0.61 0.00 0.00 -2.50 0.00 0.00 55.36 52.25 2rp3 s GLN 14 Cb -0.01 -0.50 0.00 0.00 -1.64 0.00 0.00 33.01 30.86 2rp3 s GLN 14 CO -0.00 -1.17 0.00 0.41 0.50 0.00 0.00 175.29 175.03 2rp3 n GLY 15 N 4.42 1.56 0.75 2.59 0.00 -1.25 -4.07 105.19 109.18 2rp3 n GLY 15 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 2rp3 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 16 N 3.82 -0.06 -4.11 1.61 2.88 -1.26 -4.60 113.62 111.90 2rp3 n SER 16 Ca 0.00 -1.62 -0.30 0.00 -1.33 0.00 0.00 58.87 55.62 2rp3 n SER 16 Cb 0.00 -0.04 -0.17 0.00 -0.75 0.00 0.00 64.21 63.26 2rp3 n SER 16 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rp3 s VAL 17 N 0.00 1.72 -0.14 2.46 0.11 -1.26 -0.79 120.40 122.51 2rp3 s VAL 17 Ca 0.05 -0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 58.21 2rp3 s VAL 17 Cb 0.06 -1.54 -0.05 0.00 -1.53 0.00 0.00 36.38 33.32 2rp3 s VAL 17 CO -0.03 0.49 0.19 -0.22 -3.33 0.00 0.00 175.10 172.20 2rp3 s LEU 18 N 0.83 4.32 -0.03 2.54 0.20 -0.17 -2.89 118.68 123.48 2rp3 s LEU 18 Ca -0.09 0.46 -0.00 0.00 0.69 0.00 0.00 54.13 55.19 2rp3 s LEU 18 Cb -0.16 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.45 2rp3 s LEU 18 CO -0.00 0.28 0.01 -0.89 -0.29 0.00 0.00 176.35 175.46 2rp3 s THR 19 N -0.38 0.11 -0.18 3.68 2.01 0.07 -0.85 115.64 120.11 2rp3 s THR 19 Ca 0.14 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.06 2rp3 s THR 19 Cb -0.12 -0.24 0.06 0.00 0.01 0.00 0.00 72.50 72.21 2rp3 s THR 19 CO 0.03 0.15 0.62 -0.55 -0.69 0.00 0.00 174.62 174.18 2rp3 s SER 20 N 1.25 -0.62 -0.15 3.53 0.15 -1.15 0.20 113.70 116.91 2rp3 s SER 20 Ca -0.07 1.05 -0.29 0.00 0.70 0.00 0.00 55.95 57.34 2rp3 s SER 20 Cb -0.13 1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 65.22 2rp3 s SER 20 CO -0.02 -0.33 1.04 -0.89 1.20 0.00 0.00 173.24 174.24 2rp3 s THR 21 N -0.14 4.71 0.15 6.45 2.01 -0.24 -3.86 115.64 124.71 2rp3 s THR 21 Ca -0.04 2.00 0.09 0.00 0.31 0.00 0.00 61.69 64.06 2rp3 s THR 21 Cb -0.03 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2rp3 s THR 21 CO 0.03 -0.07 -0.20 0.00 -0.69 0.00 0.00 174.62 173.69 2rp3 s GLU 23 N -2.53 3.69 0.97 0.00 2.02 -1.17 -1.71 118.70 119.97 2rp3 s GLU 23 Ca 0.14 0.84 -0.12 0.00 0.02 0.00 0.00 54.97 55.85 2rp3 s GLU 23 Cb -0.07 -3.95 0.12 0.00 0.10 0.00 0.00 34.13 30.33 2rp3 s GLU 23 CO 0.07 -1.41 0.81 0.54 0.02 0.00 0.00 175.26 175.28 2rp3 n ARG 24 N 7.84 -0.71 -0.07 1.61 1.74 0.17 -3.75 116.66 123.50 2rp3 n ARG 24 Ca 0.14 -0.16 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 2rp3 n ARG 24 Cb 0.48 -2.13 -0.15 0.00 -1.02 0.00 0.00 32.46 29.64 2rp3 n ARG 24 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2rp3 n THR 25 N -4.13 1.43 -0.05 0.55 -1.04 -1.26 -4.70 114.28 105.08 2rp3 n THR 25 Ca 0.08 -0.82 -0.06 0.00 -2.04 0.00 0.00 64.05 61.22 2rp3 n THR 25 Cb 0.53 -0.66 -0.02 0.00 -1.82 0.00 0.00 70.33 68.36 2rp3 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2rp3 n ASN 26 N -2.85 1.35 -0.28 8.00 2.85 -1.26 -5.04 115.26 118.03 2rp3 n ASN 26 Ca -0.26 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 2rp3 n ASN 26 Cb 1.10 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rp3 n GLY 27 N 1.85 0.50 0.00 8.20 0.00 -1.26 -5.11 105.19 109.37 2rp3 n GLY 27 Ca -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2rp3 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rp3 n GLY 28 N 4.57 0.25 3.63 -0.02 0.00 -1.26 -4.64 105.19 107.72 2rp3 n GLY 28 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2rp3 n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rp3 s TYR 29 N 1.07 3.02 -0.05 1.61 2.02 -1.26 0.46 117.35 124.21 2rp3 s TYR 29 Ca 0.00 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2rp3 s TYR 29 Cb 0.00 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2rp3 s TYR 29 CO 0.00 0.40 -0.03 1.21 -1.57 0.00 0.00 175.55 175.55 2rp3 s ASN 30 N -1.01 1.03 -0.63 2.29 2.47 -0.69 -4.87 114.94 113.53 2rp3 s ASN 30 Ca 0.14 -0.12 -0.04 0.00 0.42 0.00 0.00 52.86 53.26 2rp3 s ASN 30 Cb -0.11 -0.44 0.16 0.00 -1.45 0.00 0.00 41.25 39.41 2rp3 s ASN 30 CO 0.04 -0.08 0.46 -0.89 -3.72 0.00 0.00 177.10 172.91 2rp3 s THR 31 N 1.10 3.89 0.45 -5.21 2.01 -1.26 -1.43 115.64 115.20 2rp3 s THR 31 Ca -0.08 -2.87 0.05 0.00 0.31 0.00 0.00 61.69 59.10 2rp3 s THR 31 Cb -0.14 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.89 2rp3 s THR 31 CO -0.01 -0.88 0.37 -1.20 -0.69 0.00 0.00 174.62 172.21 2rp3 n SER 32 N 3.59 2.37 -3.91 3.53 7.64 -1.25 -4.94 113.62 120.64 2rp3 n SER 32 Ca 0.08 -2.52 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 2rp3 n SER 32 Cb 0.39 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.43 2rp3 n SER 32 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rp3 s SER 33 N -3.69 0.14 -0.02 6.43 1.04 -1.26 -2.91 113.70 113.42 2rp3 s SER 33 Ca 0.28 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.26 2rp3 s SER 33 Cb -0.02 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2rp3 s SER 33 CO 0.18 -0.50 -0.06 -0.51 0.98 0.00 0.00 173.24 173.34 2rp3 s ILE 34 N -2.45 0.53 -0.30 -1.02 -1.16 -0.03 -4.83 121.20 111.96 2rp3 s ILE 34 Ca -0.06 -0.20 -0.29 0.00 -0.51 0.00 0.00 60.65 59.58 2rp3 s ILE 34 Cb -0.02 -0.51 0.01 0.00 0.61 0.00 0.00 42.46 42.56 2rp3 s ILE 34 CO -0.04 0.19 1.09 -0.62 -2.81 0.00 0.00 174.94 172.75 2rp3 s ASP 35 N 0.38 6.94 0.00 4.50 2.15 -1.26 -1.00 116.67 128.38 2rp3 s ASP 35 Ca -0.05 1.14 0.26 0.00 0.43 0.00 0.00 52.55 54.33 2rp3 s ASP 35 Cb -0.09 -2.54 1.32 0.00 -0.30 0.00 0.00 42.92 41.30 2rp3 s ASP 35 CO -0.00 -0.86 1.89 0.18 -0.17 0.00 0.00 175.17 176.21 2rp3 n LEU 36 N 6.82 0.00 0.21 -1.34 4.77 0.03 -3.02 117.00 124.47 2rp3 n LEU 36 Ca 0.12 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.55 2rp3 n LEU 36 Cb 0.47 -0.30 0.52 0.00 -2.33 0.00 0.00 43.42 41.77 2rp3 n LEU 36 CO 0.58 -0.04 0.92 -1.13 -1.33 0.00 0.00 177.39 176.39 2rp3 h ASN 37 N 0.00 0.00 -0.20 -1.43 -0.73 -1.85 -1.40 115.58 109.96 2rp3 h ASN 37 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2rp3 h ASN 37 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.85 2rp3 h ASN 37 CO 0.00 0.00 0.00 -1.20 -0.37 0.00 0.00 177.43 175.86 2rp3 n SER 38 N -2.80 1.82 -0.22 1.15 7.64 -1.17 -3.46 113.62 116.59 2rp3 n SER 38 Ca 0.02 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2rp3 n SER 38 Cb 0.34 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2rp3 n SER 38 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2rp3 n VAL 39 N 0.43 0.00 -4.09 0.44 0.24 -0.39 -4.71 118.33 110.25 2rp3 n VAL 39 Ca 0.16 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.29 2rp3 n VAL 39 Cb 0.35 0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 32.97 2rp3 n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2rp3 s ILE 40 N 0.00 0.37 0.12 1.34 -1.09 0.64 -2.43 121.20 120.15 2rp3 s ILE 40 Ca 0.00 -0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.39 2rp3 s ILE 40 Cb 0.00 -0.38 -0.04 0.00 -1.58 0.00 0.00 42.46 40.47 2rp3 s ILE 40 CO 0.00 0.15 -0.19 0.00 -1.23 0.00 0.00 174.94 173.67 2rp3 s ALA 41 N 0.46 1.81 -0.30 9.38 0.00 -1.03 -2.13 121.76 129.96 2rp3 s ALA 41 Ca -0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 2rp3 s ALA 41 Cb -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2rp3 s ALA 41 CO -0.00 0.29 0.08 0.00 0.00 0.00 0.00 175.76 176.13 2rp3 s ALA 42 N -1.51 3.06 -0.29 0.00 0.00 -1.26 -3.01 121.76 118.75 2rp3 s ALA 42 Ca 0.09 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2rp3 s ALA 42 Cb -0.08 -2.16 0.09 0.00 0.00 0.00 0.00 23.12 20.96 2rp3 s ALA 42 CO 0.05 -0.98 0.05 0.08 0.00 0.00 0.00 175.76 174.96 2rp3 s VAL 43 N 1.48 1.35 -1.30 0.00 1.01 -0.98 -4.76 120.40 117.20 2rp3 s VAL 43 Ca 0.02 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 2rp3 s VAL 43 Cb -0.17 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2rp3 s VAL 43 CO 0.02 -0.50 0.17 -0.67 0.00 0.00 0.00 175.10 174.13 2rp3 n ASP 44 N 4.67 -4.88 -0.75 3.32 -0.08 -1.26 -2.77 116.55 114.80 2rp3 n ASP 44 Ca -0.03 -0.09 -0.02 0.00 -1.51 0.00 0.00 54.79 53.13 2rp3 n ASP 44 Cb 0.43 -3.90 0.01 0.00 2.34 0.00 0.00 41.12 40.00 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rp3 n GLY 45 N -1.14 0.75 2.76 0.27 0.00 -0.90 -4.47 105.19 102.46 2rp3 n GLY 45 Ca -0.15 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2rp3 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rp3 s SER 46 N -3.02 1.29 -0.21 1.61 0.15 -1.11 -4.70 113.70 107.70 2rp3 s SER 46 Ca 0.05 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 2rp3 s SER 46 Cb -0.02 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2rp3 s SER 46 CO 0.07 -0.19 0.51 -0.76 1.20 0.00 0.00 173.24 174.07 2rp3 s LEU 47 N 1.84 4.13 0.17 3.45 1.43 -1.26 -2.31 118.68 126.13 2rp3 s LEU 47 Ca 0.02 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2rp3 s LEU 47 Cb -0.12 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2rp3 s LEU 47 CO -0.04 -0.19 0.03 -1.59 0.23 0.00 0.00 176.35 174.79 2rp3 s LYS 48 N 1.72 1.10 0.00 1.70 0.00 -1.16 -4.83 119.74 118.26 2rp3 s LYS 48 Ca 0.23 -1.54 0.00 0.00 0.00 0.00 0.00 55.97 54.67 2rp3 s LYS 48 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.54 2rp3 s LYS 48 CO 0.09 -0.18 0.00 0.91 0.00 0.00 0.00 175.35 176.17 2rp3 n TRP 49 N -0.23 -2.81 -4.19 1.78 7.02 -1.26 -2.47 117.44 115.29 2rp3 n TRP 49 Ca -0.05 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.13 2rp3 n TRP 49 Cb 0.64 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.44 2rp3 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2rp3 n GLN 50 N -0.86 -0.93 -3.96 -0.99 10.64 -1.02 -4.58 117.38 115.68 2rp3 n GLN 50 Ca 0.00 0.09 -0.11 0.00 -1.83 0.00 0.00 57.00 55.15 2rp3 n GLN 50 Cb 0.00 -3.38 -0.02 0.00 -0.86 0.00 0.00 30.24 25.99 2rp3 n GLN 50 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2rp3 s GLY 51 N -4.21 0.81 0.29 2.61 0.00 -1.17 -4.91 107.32 100.74 2rp3 s GLY 51 Ca 0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 44.72 43.60 2rp3 s GLY 51 CO 0.93 -0.62 0.57 -1.35 0.00 0.00 0.00 173.10 172.62 2rp3 s SER 52 N -3.11 0.08 -0.88 1.64 1.04 -0.90 0.23 113.70 111.79 2rp3 s SER 52 Ca 0.22 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2rp3 s SER 52 Cb -0.03 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 2rp3 s SER 52 CO 0.14 -1.29 0.77 0.59 0.98 0.00 0.00 173.24 174.43 2rp3 n ASN 53 N -0.74 -5.19 -0.04 7.02 4.13 -1.22 -4.31 115.26 114.91 2rp3 n ASN 53 Ca -0.03 -0.57 -0.04 0.00 1.68 0.00 0.00 54.58 55.62 2rp3 n ASN 53 Cb 0.61 -4.37 -0.05 0.00 -1.54 0.00 0.00 39.78 34.44 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2rp3 n PHE 54 N -3.03 0.00 -0.22 3.10 1.16 -1.24 -4.00 117.46 113.22 2rp3 n PHE 54 Ca -0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.46 2rp3 n PHE 54 Cb 0.61 -0.32 0.15 0.00 -1.61 0.00 0.00 39.48 38.30 2rp3 n PHE 54 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 2rp3 h ILE 55 N 0.00 1.24 -0.52 1.97 6.09 -1.87 0.57 117.51 124.98 2rp3 h ILE 55 Ca -0.18 -0.72 0.09 0.00 -1.37 0.00 0.00 64.86 62.68 2rp3 h ILE 55 Cb 1.36 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.99 2rp3 h ILE 55 CO -0.00 0.29 0.35 -0.33 -3.07 0.00 0.00 178.15 175.40 2rp3 h GLU 56 N 1.02 0.30 -0.34 2.19 5.08 -1.99 -0.08 114.58 120.75 2rp3 h GLU 56 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2rp3 h GLU 56 Cb 0.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2rp3 h GLU 56 CO -0.02 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 2rp3 n ALA 57 N -2.54 3.00 -2.94 3.43 0.00 -0.59 -4.99 120.51 115.88 2rp3 n ALA 57 Ca 0.08 -2.05 -0.11 0.00 0.00 0.00 0.00 53.44 51.36 2rp3 n ALA 57 Cb 0.37 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 2rp3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rp3 s ARG 59 N -2.17 2.09 -1.17 0.00 3.03 -0.75 -4.63 118.95 115.35 2rp3 s ARG 59 Ca -0.08 -1.66 -0.14 0.00 2.03 0.00 0.00 55.73 55.88 2rp3 s ARG 59 Cb -0.03 0.52 -0.02 0.00 -1.03 0.00 0.00 34.95 34.40 2rp3 s ARG 59 CO -0.02 -0.92 0.78 0.09 -1.13 0.00 0.00 175.30 174.10 2rp3 n ASN 60 N -1.50 -4.59 -4.88 -2.89 3.02 -1.26 -2.39 115.26 100.76 2rp3 n ASN 60 Ca -0.03 -0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 53.24 2rp3 n ASN 60 Cb 0.61 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.94 2rp3 n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2rp3 s THR 61 N -3.52 5.25 0.31 3.41 -4.23 -1.26 -4.17 115.64 111.43 2rp3 s THR 61 Ca 0.37 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 2rp3 s THR 61 Cb -0.11 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.16 2rp3 s THR 61 CO 0.83 0.36 0.65 0.00 -0.54 0.00 0.00 174.62 175.93 2rp3 s GLN 62 N -1.75 1.87 -0.07 3.99 -2.07 -0.40 -3.97 119.66 117.27 2rp3 s GLN 62 Ca 0.28 -1.27 -0.22 0.00 -1.82 0.00 0.00 55.36 52.33 2rp3 s GLN 62 Cb -0.13 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 2rp3 s GLN 62 CO 0.16 -0.84 0.66 -1.17 -1.32 0.00 0.00 175.29 172.78 2rp3 s LEU 63 N -3.02 4.32 -0.06 2.60 2.96 -1.26 -2.10 118.68 122.12 2rp3 s LEU 63 Ca 0.17 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.26 2rp3 s LEU 63 Cb -0.04 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 2rp3 s LEU 63 CO 0.10 -0.08 -0.19 0.00 -1.32 0.00 0.00 176.35 174.87 2rp3 s ALA 64 N 0.67 1.72 0.00 5.97 0.00 -0.91 -4.87 121.76 124.34 2rp3 s ALA 64 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2rp3 s ALA 64 Cb -0.17 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2rp3 s ALA 64 CO 0.17 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2rp3 n GLY 65 N 3.34 0.98 0.00 0.00 0.00 -1.26 -2.32 105.19 105.92 2rp3 n GLY 65 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2rp3 n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rp3 n SER 66 N 2.29 0.00 -2.70 1.61 7.64 -1.26 -4.98 113.62 116.21 2rp3 n SER 66 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2rp3 n SER 66 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rp3 n SER 67 N 0.00 2.04 -4.43 6.43 3.41 -1.24 -4.95 113.62 114.88 2rp3 n SER 67 Ca 0.00 -2.39 -0.24 0.00 -0.26 0.00 0.00 58.87 55.98 2rp3 n SER 67 Cb 0.00 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 2rp3 n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rp3 s GLU 68 N -3.66 1.56 -0.34 4.33 2.02 -0.98 0.13 118.70 121.76 2rp3 s GLU 68 Ca 0.30 -1.64 0.03 0.00 0.02 0.00 0.00 54.97 53.68 2rp3 s GLU 68 Cb 0.36 -1.68 0.10 0.00 0.10 0.00 0.00 34.13 33.00 2rp3 s GLU 68 CO -0.02 0.33 0.04 -1.17 0.02 0.00 0.00 175.26 174.46 2rp3 s LEU 69 N -3.16 4.65 -0.09 1.80 1.98 0.39 -2.15 118.68 122.10 2rp3 s LEU 69 Ca 0.25 -2.05 -0.15 0.00 -2.89 0.00 0.00 54.13 49.29 2rp3 s LEU 69 Cb -0.06 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.11 2rp3 s LEU 69 CO 0.12 -0.37 0.39 0.00 -1.89 0.00 0.00 176.35 174.59 2rp3 s ALA 70 N 0.95 3.60 0.10 5.97 0.00 -0.89 -2.88 121.76 128.62 2rp3 s ALA 70 Ca 0.08 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 2rp3 s ALA 70 Cb -0.19 -2.46 0.08 0.00 0.00 0.00 0.00 23.12 20.55 2rp3 s ALA 70 CO -0.07 0.22 0.82 0.00 0.00 0.00 0.00 175.76 176.73 2rp3 s ALA 71 N -0.07 -1.66 -0.21 0.00 0.00 -0.32 -1.28 121.76 118.21 2rp3 s ALA 71 Ca 0.22 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 2rp3 s ALA 71 Cb -0.15 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2rp3 s ALA 71 CO 0.09 -0.83 0.06 -1.21 0.00 0.00 0.00 175.76 173.87 2rp3 s GLU 72 N -3.40 3.81 0.03 0.00 2.02 -1.01 -0.11 118.70 120.04 2rp3 s GLU 72 Ca 0.06 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 54.71 2rp3 s GLU 72 Cb -0.02 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2rp3 s GLU 72 CO -0.05 0.06 -0.23 0.00 0.02 0.00 0.00 175.26 175.06 2rp3 s LYS 74 N -0.99 4.47 0.74 0.00 2.20 -0.24 -1.00 119.74 124.92 2rp3 s LYS 74 Ca 0.09 1.86 -0.09 0.00 -0.36 0.00 0.00 55.97 57.46 2rp3 s LYS 74 Cb -0.09 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 33.02 2rp3 s LYS 74 CO 0.01 -0.15 1.08 0.95 -0.36 0.00 0.00 175.35 176.88 2rp3 s THR 75 N 0.29 2.46 0.62 3.43 -4.23 0.25 -2.12 115.64 116.34 2rp3 s THR 75 Ca 0.55 -0.03 0.32 0.00 -1.18 0.00 0.00 61.69 61.35 2rp3 s THR 75 Cb -0.32 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 70.78 2rp3 s THR 75 CO 0.34 -0.13 2.13 0.00 -0.54 0.00 0.00 174.62 176.42 2rp3 h ALA 76 N -0.75 1.57 0.00 3.99 0.00 -1.89 0.32 119.26 122.50 2rp3 h ALA 76 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2rp3 h ALA 76 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2rp3 h ALA 76 CO 0.63 -0.23 -0.59 0.00 0.00 0.00 0.00 179.25 179.06 2rp3 n ALA 77 N -2.22 3.06 -0.26 0.00 0.00 -1.26 -4.95 120.51 114.88 2rp3 n ALA 77 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2rp3 n ALA 77 Cb 0.27 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2rp3 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rp3 n GLY 78 N 1.38 1.17 3.12 0.00 0.00 0.11 -5.11 105.19 105.87 2rp3 n GLY 78 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2rp3 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rp3 s GLN 79 N -0.71 1.95 -0.33 1.61 -0.21 -1.25 -4.79 119.66 115.93 2rp3 s GLN 79 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 2rp3 s GLN 79 Cb 0.00 -1.63 0.02 0.00 1.00 0.00 0.00 33.01 32.39 2rp3 s GLN 79 CO 0.00 0.19 1.06 -0.06 -2.12 0.00 0.00 175.29 174.36 2rp3 s PHE 80 N 0.21 3.14 0.56 0.91 0.08 -1.26 0.86 117.98 122.48 2rp3 s PHE 80 Ca -0.08 1.15 0.07 0.00 0.12 0.00 0.00 56.93 58.18 2rp3 s PHE 80 Cb -0.13 -3.70 0.06 0.00 -0.57 0.00 0.00 43.02 38.68 2rp3 s PHE 80 CO 0.03 -0.78 0.55 0.14 -0.10 0.00 0.00 175.22 175.07 2rp3 s VAL 81 N 3.65 1.83 -0.40 -0.44 -7.23 -0.17 -4.85 120.40 112.78 2rp3 s VAL 81 Ca 0.45 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.16 2rp3 s VAL 81 Cb -0.12 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.70 2rp3 s VAL 81 CO 0.16 0.00 0.29 -0.55 -0.31 0.00 0.00 175.10 174.69 2rp3 s SER 82 N -4.43 6.07 0.01 4.85 0.15 -1.26 -2.26 113.70 116.84 2rp3 s SER 82 Ca 0.44 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2rp3 s SER 82 Cb -0.04 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 2rp3 s SER 82 CO 0.28 -0.43 -0.00 0.42 1.20 0.00 0.00 173.24 174.70 2rp3 s THR 83 N 1.67 4.11 0.01 6.45 -4.23 0.85 -4.99 115.64 119.52 2rp3 s THR 83 Ca 0.05 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2rp3 s THR 83 Cb -0.19 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 2rp3 s THR 83 CO 0.10 0.34 0.00 -1.59 -0.54 0.00 0.00 174.62 172.93 2rp3 s LYS 84 N -1.65 0.31 -0.26 3.99 0.00 -1.26 -1.18 119.74 119.70 2rp3 s LYS 84 Ca 0.20 -0.52 -0.23 0.00 0.00 0.00 0.00 55.97 55.42 2rp3 s LYS 84 Cb -0.12 0.12 0.07 0.00 0.00 0.00 0.00 37.83 37.90 2rp3 s LYS 84 CO 0.11 -0.06 0.68 -1.50 0.00 0.00 0.00 175.35 174.59 2rp3 s ILE 85 N -1.32 -0.00 -0.32 3.79 2.07 -1.14 -4.83 121.20 119.45 2rp3 s ILE 85 Ca -0.14 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.81 2rp3 s ILE 85 Cb -0.09 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.56 2rp3 s ILE 85 CO -0.01 0.00 1.19 0.21 -1.91 0.00 0.00 174.94 174.43 2rp3 s ASN 86 N 0.42 6.78 0.36 4.50 3.04 -1.26 -0.46 114.94 128.31 2rp3 s ASN 86 Ca -0.00 1.07 0.11 0.00 0.04 0.00 0.00 52.86 54.07 2rp3 s ASN 86 Cb -0.05 -2.54 0.68 0.00 -1.54 0.00 0.00 41.25 37.80 2rp3 s ASN 86 CO -0.00 -1.01 1.82 -0.07 -3.04 0.00 0.00 177.10 174.80 2rp3 h LEU 87 N 10.58 0.11 -1.70 3.21 3.38 0.79 -2.46 115.31 129.23 2rp3 h LEU 87 Ca -0.23 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rp3 h LEU 87 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2rp3 h LEU 87 CO 1.04 0.43 0.00 -2.24 0.09 0.00 0.00 178.44 177.77 2rp3 h ASP 88 N 0.10 0.00 -0.93 -0.43 3.04 -1.75 -0.65 116.42 115.81 2rp3 h ASP 88 Ca 0.01 0.00 0.10 0.00 -3.24 0.00 0.00 57.03 53.90 2rp3 h ASP 88 Cb 0.63 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.84 2rp3 h ASP 88 CO 0.05 0.00 0.56 -0.78 -2.04 0.00 0.00 179.24 177.03 2rp3 h ASP 89 N 0.00 0.83 0.00 4.15 1.82 -1.75 0.21 116.42 121.67 2rp3 h ASP 89 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2rp3 h ASP 89 Cb 0.18 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2rp3 h ASP 89 CO 0.00 0.47 -0.41 1.41 -1.61 0.00 0.00 179.24 179.09 2rp3 n HIS 90 N -4.66 0.00 -1.82 0.28 8.25 -1.14 -4.59 115.22 111.55 2rp3 n HIS 90 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2rp3 n HIS 90 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 2rp3 n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2rp3 s ILE 91 N -1.41 2.70 0.44 1.59 -1.09 -0.26 -1.77 121.20 121.40 2rp3 s ILE 91 Ca 0.00 0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2rp3 s ILE 91 Cb 0.00 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 2rp3 s ILE 91 CO 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 174.94 173.83 2rp3 s ALA 92 N 2.46 3.18 -0.23 9.38 0.00 -0.44 -2.09 121.76 134.02 2rp3 s ALA 92 Ca 0.77 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 2rp3 s ALA 92 Cb -0.44 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2rp3 s ALA 92 CO 0.34 -0.29 -0.03 1.21 0.00 0.00 0.00 175.76 176.99 2rp3 s ASN 93 N -3.66 4.41 -0.30 0.00 2.47 -1.26 -2.45 114.94 114.15 2rp3 s ASN 93 Ca 0.20 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 53.04 2rp3 s ASN 93 Cb 0.02 -1.75 0.07 0.00 -1.45 0.00 0.00 41.25 38.13 2rp3 s ASN 93 CO 0.13 -0.04 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.81 2rp3 s ILE 94 N 1.48 2.59 -1.42 -5.21 -1.09 0.79 -4.66 121.20 113.68 2rp3 s ILE 94 Ca 0.05 -1.67 -0.00 0.00 -2.23 0.00 0.00 60.65 56.80 2rp3 s ILE 94 Cb -0.15 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 2rp3 s ILE 94 CO -0.03 -0.19 0.01 0.47 -1.23 0.00 0.00 174.94 173.98 2rp3 n ASP 95 N 4.49 -4.93 0.00 3.58 9.92 -1.26 -0.61 116.55 127.75 2rp3 n ASP 95 Ca -0.10 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2rp3 n ASP 95 Cb 0.42 -4.13 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rp3 n GLY 96 N -0.92 0.59 3.49 0.44 0.00 -1.25 -4.05 105.19 103.50 2rp3 n GLY 96 Ca -0.19 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2rp3 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rp3 s THR 97 N -2.00 2.75 -0.24 2.61 -4.23 0.22 -4.23 115.64 110.52 2rp3 s THR 97 Ca 0.00 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 2rp3 s THR 97 Cb 0.00 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2rp3 s THR 97 CO 0.00 -0.11 0.37 -0.76 -0.54 0.00 0.00 174.62 173.59 2rp3 s LEU 98 N -2.73 4.09 0.19 4.79 1.43 -1.26 -0.15 118.68 125.04 2rp3 s LEU 98 Ca 0.23 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2rp3 s LEU 98 Cb -0.08 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2rp3 s LEU 98 CO 0.12 -0.13 0.07 -0.54 0.23 0.00 0.00 176.35 176.11 2rp3 s LYS 99 N 1.70 1.15 -0.15 1.70 3.01 -1.02 -4.51 119.74 121.61 2rp3 s LYS 99 Ca 0.16 -1.58 -0.08 0.00 -1.01 0.00 0.00 55.97 53.47 2rp3 s LYS 99 Cb -0.15 0.03 -0.04 0.00 -1.01 0.00 0.00 37.83 36.66 2rp3 s LYS 99 CO 0.09 -0.28 0.11 -0.47 0.51 0.00 0.00 175.35 175.31 2rp3 s TYR 100 N -3.93 3.43 -0.93 3.18 5.04 -1.26 -1.33 117.35 121.55 2rp3 s TYR 100 Ca 0.31 0.35 0.07 0.00 -2.44 0.00 0.00 57.07 55.37 2rp3 s TYR 100 Cb 0.07 -2.02 0.06 0.00 0.35 0.00 0.00 41.96 40.42 2rp3 s TYR 100 CO 0.08 0.47 0.74 0.39 -1.34 0.00 0.00 175.55 175.88