#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 1.68 4.45 -0.72 0.00 -1.18 -4.54 105.19 104.88 2rp3 n GLY 2 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 1.24 -0.73 0.06 1.61 4.76 0.01 -4.08 118.16 121.03 2rp3 n LYS 3 Ca 0.00 0.13 0.02 0.00 -2.87 0.00 0.00 58.31 55.59 2rp3 n LYS 3 Cb 0.00 -4.53 0.37 0.00 -1.84 0.00 0.00 35.03 29.03 2rp3 n LYS 3 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2rp3 h PHE 4 N -0.88 0.40 -0.33 2.13 -0.00 -1.67 -1.93 116.94 114.66 2rp3 h PHE 4 Ca -0.58 -0.03 0.10 0.00 -0.00 0.00 0.00 57.97 57.45 2rp3 h PHE 4 Cb 1.35 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 2rp3 h PHE 4 CO 0.68 0.41 0.35 0.66 -0.00 0.00 0.00 178.31 180.41 2rp3 h SER 5 N 0.38 0.00 0.06 -0.68 4.64 -1.84 0.35 113.55 116.45 2rp3 h SER 5 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2rp3 h SER 5 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2rp3 h SER 5 CO 0.01 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.43 2rp3 h GLN 6 N 0.00 0.09 0.00 4.77 4.20 -1.71 -2.95 115.11 119.51 2rp3 h GLN 6 Ca 0.16 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2rp3 h GLN 6 Cb 0.85 -0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.46 2rp3 h GLN 6 CO -0.00 0.20 -0.67 -2.37 -0.67 0.00 0.00 178.83 175.31 2rp3 n THR 7 N -4.37 1.08 -3.90 -0.54 5.66 0.57 -5.04 114.28 107.73 2rp3 n THR 7 Ca -0.02 -1.94 -0.14 0.00 -3.05 0.00 0.00 64.05 58.90 2rp3 n THR 7 Cb 0.20 0.33 -0.15 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.30 1.21 -1.50 0.00 1.13 0.26 -4.54 117.35 114.21 2rp3 s TYR 9 Ca -0.03 -1.29 -0.04 0.00 -1.41 0.00 0.00 57.07 54.31 2rp3 s TYR 9 Cb -0.04 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 2rp3 s TYR 9 CO -0.01 -0.52 0.53 -1.71 -2.51 0.00 0.00 175.55 171.33 2rp3 n ASN 10 N -0.29 -5.90 -4.77 -0.18 5.15 -1.26 -1.04 115.26 106.98 2rp3 n ASN 10 Ca -0.00 -0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.35 2rp3 n ASN 10 Cb 0.66 -4.73 -0.02 0.00 -0.53 0.00 0.00 39.78 35.15 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 -2.67 6.56 0.00 1.20 1.04 -1.26 -4.22 113.70 114.35 2rp3 s SER 11 Ca 0.26 2.26 -0.14 0.00 0.48 0.00 0.00 55.95 58.81 2rp3 s SER 11 Cb -0.12 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2rp3 s SER 11 CO 0.33 -0.64 0.29 0.00 0.98 0.00 0.00 173.24 174.19 2rp3 s ALA 12 N -1.49 -0.70 -0.02 5.32 0.00 0.11 -4.96 121.76 120.03 2rp3 s ALA 12 Ca 0.58 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2rp3 s ALA 12 Cb -0.28 0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2rp3 s ALA 12 CO 0.35 -0.29 -0.06 0.42 0.00 0.00 0.00 175.76 176.18 2rp3 s ILE 13 N -1.67 0.50 -0.37 0.00 1.01 -1.26 -1.09 121.20 118.32 2rp3 s ILE 13 Ca -0.11 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2rp3 s ILE 13 Cb -0.04 -0.46 0.16 0.00 0.01 0.00 0.00 42.46 42.12 2rp3 s ILE 13 CO 0.02 0.17 0.38 -1.58 0.00 0.00 0.00 174.94 173.93 2rp3 s GLN 14 N 0.23 0.63 0.05 2.79 -0.44 -1.15 -4.22 119.66 117.56 2rp3 s GLN 14 Ca -0.03 -0.80 0.00 0.00 -2.50 0.00 0.00 55.36 52.03 2rp3 s GLN 14 Cb -0.07 -0.69 0.00 0.00 -1.64 0.00 0.00 33.01 30.61 2rp3 s GLN 14 CO -0.00 -1.19 0.00 0.41 0.50 0.00 0.00 175.29 175.01 2rp3 n GLY 15 N 4.31 1.85 1.12 2.59 0.00 -1.26 -4.05 105.19 109.75 2rp3 n GLY 15 Ca 0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 2rp3 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rp3 n SER 16 N 4.06 -0.42 -3.98 1.61 3.41 -1.26 -4.63 113.62 112.40 2rp3 n SER 16 Ca 0.00 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.37 2rp3 n SER 16 Cb 0.00 0.12 -0.17 0.00 -0.26 0.00 0.00 64.21 63.91 2rp3 n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rp3 s VAL 17 N 0.00 1.14 -0.18 -3.33 0.11 -1.26 -1.62 120.40 115.26 2rp3 s VAL 17 Ca 0.09 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 2rp3 s VAL 17 Cb 0.11 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2rp3 s VAL 17 CO -0.05 0.37 0.18 -0.22 -3.33 0.00 0.00 175.10 172.05 2rp3 s LEU 18 N 1.10 4.25 -0.05 2.54 2.96 -0.95 -2.94 118.68 125.58 2rp3 s LEU 18 Ca -0.06 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2rp3 s LEU 18 Cb -0.14 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.40 2rp3 s LEU 18 CO -0.02 0.19 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.29 2rp3 s THR 19 N 0.18 0.45 -0.18 3.68 2.01 -0.25 -1.42 115.64 120.12 2rp3 s THR 19 Ca 0.11 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 2rp3 s THR 19 Cb -0.12 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 71.92 2rp3 s THR 19 CO 0.00 0.23 0.53 -0.55 -0.69 0.00 0.00 174.62 174.14 2rp3 s SER 20 N 1.22 -0.54 -0.17 3.53 0.15 -1.13 0.08 113.70 116.83 2rp3 s SER 20 Ca -0.06 1.00 -0.28 0.00 0.70 0.00 0.00 55.95 57.30 2rp3 s SER 20 Cb -0.14 1.01 -0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2rp3 s SER 20 CO -0.02 -0.22 0.96 -0.89 1.20 0.00 0.00 173.24 174.27 2rp3 s THR 21 N 0.11 4.78 0.12 6.45 2.01 -0.20 -3.69 115.64 125.22 2rp3 s THR 21 Ca -0.01 1.89 0.10 0.00 0.31 0.00 0.00 61.69 63.98 2rp3 s THR 21 Cb -0.04 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2rp3 s THR 21 CO 0.01 -0.06 -0.24 0.00 -0.69 0.00 0.00 174.62 173.65 2rp3 s GLU 23 N -2.03 4.15 0.77 0.00 2.02 -1.09 -1.38 118.70 121.14 2rp3 s GLU 23 Ca 0.11 1.67 -0.13 0.00 0.02 0.00 0.00 54.97 56.64 2rp3 s GLU 23 Cb -0.10 -3.83 0.06 0.00 0.10 0.00 0.00 34.13 30.36 2rp3 s GLU 23 CO 0.05 -0.83 1.14 1.03 0.02 0.00 0.00 175.26 176.67 2rp3 s ARG 24 N 3.75 2.05 0.05 1.61 0.52 0.16 -3.56 118.95 123.53 2rp3 s ARG 24 Ca 0.58 1.46 0.17 0.00 -0.52 0.00 0.00 55.73 57.43 2rp3 s ARG 24 Cb -0.23 -1.85 -0.14 0.00 0.52 0.00 0.00 34.95 33.25 2rp3 s ARG 24 CO 0.19 -1.84 0.80 2.41 0.02 0.00 0.00 175.30 176.87 2rp3 n THR 25 N -3.24 1.20 -0.03 0.02 -1.04 -1.26 -4.63 114.28 105.30 2rp3 n THR 25 Ca 0.11 -0.70 -0.08 0.00 -2.04 0.00 0.00 64.05 61.34 2rp3 n THR 25 Cb 0.52 -0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.88 0.88 0.00 8.00 2.85 -1.26 -5.06 115.26 117.79 2rp3 n ASN 26 Ca -0.10 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2rp3 n ASN 26 Cb 0.85 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 41.53 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 2.53 0.86 0.00 8.20 0.00 -1.26 -5.12 105.19 110.40 2rp3 n GLY 27 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 5.00 0.97 3.54 -0.02 0.00 -1.26 -4.75 105.19 108.67 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 1.44 2.88 -0.08 1.61 2.02 -1.26 0.39 117.35 124.35 2rp3 s TYR 29 Ca 0.00 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2rp3 s TYR 29 Cb 0.00 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2rp3 s TYR 29 CO 0.00 0.25 -0.08 1.21 -1.57 0.00 0.00 175.55 175.36 2rp3 s ASN 30 N -0.66 1.79 -0.55 2.29 2.47 -0.48 -4.88 114.94 114.93 2rp3 s ASN 30 Ca 0.10 -0.25 -0.06 0.00 0.42 0.00 0.00 52.86 53.07 2rp3 s ASN 30 Cb -0.11 -0.73 0.14 0.00 -1.45 0.00 0.00 41.25 39.10 2rp3 s ASN 30 CO 0.02 -0.07 0.39 -0.89 -3.72 0.00 0.00 177.10 172.83 2rp3 s THR 31 N 1.30 4.00 0.53 -5.21 2.01 -1.26 -1.19 115.64 115.82 2rp3 s THR 31 Ca -0.03 -2.31 0.05 0.00 0.31 0.00 0.00 61.69 59.70 2rp3 s THR 31 Cb -0.14 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.80 2rp3 s THR 31 CO -0.03 -0.82 0.41 -1.54 -0.69 0.00 0.00 174.62 171.95 2rp3 n SER 32 N 4.26 2.66 -3.82 3.53 3.41 -1.24 -4.94 113.62 117.48 2rp3 n SER 32 Ca 0.01 -2.81 -0.12 0.00 -0.26 0.00 0.00 58.87 55.70 2rp3 n SER 32 Cb 0.41 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 2rp3 n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rp3 s SER 33 N -4.12 -0.06 -0.03 4.04 1.04 -1.26 -2.85 113.70 110.46 2rp3 s SER 33 Ca 0.31 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 2rp3 s SER 33 Cb -0.02 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2rp3 s SER 33 CO 0.20 -0.44 0.05 -0.51 0.98 0.00 0.00 173.24 173.52 2rp3 s ILE 34 N -1.59 -0.09 -0.08 -1.02 1.10 -0.50 -4.92 121.20 114.10 2rp3 s ILE 34 Ca -0.13 0.33 -0.30 0.00 -0.51 0.00 0.00 60.65 60.05 2rp3 s ILE 34 Cb -0.06 -0.12 -0.04 0.00 0.15 0.00 0.00 42.46 42.39 2rp3 s ILE 34 CO 0.02 0.14 1.49 -1.81 -2.11 0.00 0.00 174.94 172.67 2rp3 s ASP 35 N 1.68 6.78 0.00 4.50 1.11 -1.26 -2.24 116.67 127.24 2rp3 s ASP 35 Ca -0.01 2.05 0.24 0.00 0.18 0.00 0.00 52.55 55.00 2rp3 s ASP 35 Cb -0.12 -2.54 1.24 0.00 1.07 0.00 0.00 42.92 42.56 2rp3 s ASP 35 CO -0.03 -0.84 1.79 0.18 1.18 0.00 0.00 175.17 177.44 2rp3 n LEU 36 N 6.69 0.00 0.25 1.23 4.77 -0.64 -2.93 117.00 126.38 2rp3 n LEU 36 Ca 0.16 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 2rp3 n LEU 36 Cb 0.43 -0.24 0.61 0.00 -2.33 0.00 0.00 43.42 41.89 2rp3 n LEU 36 CO 0.60 -0.05 0.91 -1.13 -1.33 0.00 0.00 177.39 176.38 2rp3 h ASN 37 N 0.00 0.00 -0.12 -1.43 -0.73 -1.85 0.13 115.58 111.58 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 0.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.78 2rp3 h ASN 37 CO 0.00 0.13 0.00 -1.20 -0.37 0.00 0.00 177.43 175.99 2rp3 n SER 38 N -3.34 1.68 0.00 1.15 7.64 -1.15 -3.60 113.62 116.00 2rp3 n SER 38 Ca -0.00 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2rp3 n SER 38 Cb 0.34 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.32 0.00 -4.17 0.44 0.24 -0.76 -4.64 118.33 109.76 2rp3 n VAL 39 Ca 0.17 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.30 2rp3 n VAL 39 Cb 0.35 1.02 -0.15 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.46 0.11 1.34 -1.09 0.11 -2.39 121.20 119.75 2rp3 s ILE 40 Ca 0.00 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.30 2rp3 s ILE 40 Cb 0.00 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.42 2rp3 s ILE 40 CO 0.00 0.15 -0.20 0.00 -1.23 0.00 0.00 174.94 173.67 2rp3 s ALA 41 N 0.18 1.78 -0.27 9.38 0.00 -0.87 -2.39 121.76 129.56 2rp3 s ALA 41 Ca -0.02 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 2rp3 s ALA 41 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2rp3 s ALA 41 CO -0.00 0.32 0.04 0.00 0.00 0.00 0.00 175.76 176.12 2rp3 s ALA 42 N -1.35 3.00 -0.20 0.00 0.00 -1.25 -2.06 121.76 119.89 2rp3 s ALA 42 Ca 0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2rp3 s ALA 42 Cb -0.09 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.07 2rp3 s ALA 42 CO 0.04 -0.79 -0.00 0.08 0.00 0.00 0.00 175.76 175.09 2rp3 s VAL 43 N 1.49 0.94 -1.83 0.00 1.01 -0.86 -4.78 120.40 116.36 2rp3 s VAL 43 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2rp3 s VAL 43 Cb -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2rp3 s VAL 43 CO 0.01 -0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.44 2rp3 n ASP 44 N 4.90 -5.89 -0.48 3.32 9.92 -1.26 -2.18 116.55 124.88 2rp3 n ASP 44 Ca -0.10 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2rp3 n ASP 44 Cb 0.46 -4.93 0.00 0.00 -0.64 0.00 0.00 41.12 36.01 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rp3 n GLY 45 N -0.95 0.94 2.71 0.44 0.00 -1.16 -4.51 105.19 102.66 2rp3 n GLY 45 Ca -0.24 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 2rp3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rp3 s SER 46 N -3.00 0.79 -0.34 1.61 0.01 -0.93 -4.73 113.70 107.12 2rp3 s SER 46 Ca 0.00 0.08 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 2rp3 s SER 46 Cb 0.00 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2rp3 s SER 46 CO 0.00 -0.21 0.80 -0.76 0.41 0.00 0.00 173.24 173.47 2rp3 s LEU 47 N 1.84 4.10 0.29 2.44 1.43 -1.26 -2.04 118.68 125.49 2rp3 s LEU 47 Ca 0.01 0.51 0.10 0.00 -1.03 0.00 0.00 54.13 53.72 2rp3 s LEU 47 Cb -0.12 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 2rp3 s LEU 47 CO -0.03 -0.69 -0.03 -0.54 0.23 0.00 0.00 176.35 175.29 2rp3 s LYS 48 N 3.07 2.12 0.00 1.70 -0.14 -0.88 -4.86 119.74 120.76 2rp3 s LYS 48 Ca 0.32 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 2rp3 s LYS 48 Cb -0.13 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 2rp3 s LYS 48 CO 0.15 0.28 0.00 0.91 -0.76 0.00 0.00 175.35 175.93 2rp3 n TRP 49 N -0.88 -2.13 -3.34 3.18 7.02 -1.26 -2.05 117.44 117.98 2rp3 n TRP 49 Ca -0.05 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.32 2rp3 n TRP 49 Cb 0.60 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 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 -0.55 -0.63 -3.39 -0.99 10.64 -1.00 -4.50 117.38 116.97 2rp3 n GLN 50 Ca 0.00 -0.04 -0.05 0.00 -1.83 0.00 0.00 57.00 55.08 2rp3 n GLN 50 Cb 0.00 -0.42 0.02 0.00 -0.86 0.00 0.00 30.24 28.98 2rp3 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2rp3 n GLY 51 N -1.06 0.93 3.70 2.61 0.00 -1.20 -4.91 105.19 105.25 2rp3 n GLY 51 Ca -0.07 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 2rp3 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rp3 s SER 52 N -2.88 0.26 -1.03 1.61 1.04 -1.00 0.05 113.70 111.74 2rp3 s SER 52 Ca 0.16 -1.19 -0.02 0.00 0.48 0.00 0.00 55.95 55.39 2rp3 s SER 52 Cb -0.03 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 2rp3 s SER 52 CO 0.07 -1.50 0.87 0.59 0.98 0.00 0.00 173.24 174.25 2rp3 n ASN 53 N -1.25 -3.28 -0.08 7.02 4.13 -1.24 -4.26 115.26 116.30 2rp3 n ASN 53 Ca -0.05 -0.58 -0.10 0.00 1.68 0.00 0.00 54.58 55.54 2rp3 n ASN 53 Cb 0.60 -4.65 -0.09 0.00 -1.54 0.00 0.00 39.78 34.11 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 -3.56 0.00 -0.03 3.10 1.16 -1.24 -3.95 117.46 112.94 2rp3 n PHE 54 Ca -0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.38 2rp3 n PHE 54 Cb 0.64 -0.64 0.29 0.00 -1.61 0.00 0.00 39.48 38.15 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 1.19 -0.15 1.97 6.09 -1.86 -0.21 117.51 124.54 2rp3 h ILE 55 Ca -0.37 -0.73 0.04 0.00 -1.37 0.00 0.00 64.86 62.44 2rp3 h ILE 55 Cb 1.65 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.76 2rp3 h ILE 55 CO -0.03 0.26 0.11 -0.33 -3.07 0.00 0.00 178.15 175.09 2rp3 h GLU 56 N 0.58 0.00 -0.25 2.19 5.08 -1.99 -0.90 114.58 119.30 2rp3 h GLU 56 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2rp3 h GLU 56 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2rp3 h GLU 56 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2rp3 n ALA 57 N -2.55 2.60 -2.66 3.43 0.00 -0.58 -5.01 120.51 115.75 2rp3 n ALA 57 Ca 0.01 -1.87 -0.09 0.00 0.00 0.00 0.00 53.44 51.49 2rp3 n ALA 57 Cb 0.24 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 2rp3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rp3 n ARG 59 N 0.78 0.86 -3.64 0.00 0.00 -0.71 -4.65 116.66 109.30 2rp3 n ARG 59 Ca -0.19 -2.47 -0.29 0.00 -0.00 0.00 0.00 57.85 54.90 2rp3 n ARG 59 Cb 0.58 2.64 0.04 0.00 -0.00 0.00 0.00 32.46 35.73 2rp3 n ARG 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2rp3 n ASN 60 N -1.58 -5.49 -4.90 2.89 3.02 -1.26 -2.40 115.26 105.54 2rp3 n ASN 60 Ca -0.03 -0.96 -0.33 0.00 -0.03 0.00 0.00 54.58 53.23 2rp3 n ASN 60 Cb 0.57 -3.43 -0.05 0.00 -0.61 0.00 0.00 39.78 36.27 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 -3.41 5.42 0.38 3.41 -4.23 -1.26 -4.08 115.64 111.86 2rp3 s THR 61 Ca 0.43 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 2rp3 s THR 61 Cb -0.15 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.18 2rp3 s THR 61 CO 0.85 0.31 0.69 0.00 -0.54 0.00 0.00 174.62 175.93 2rp3 s GLN 62 N -1.97 2.16 -0.14 3.99 -2.07 -0.42 -3.99 119.66 117.22 2rp3 s GLN 62 Ca 0.28 -1.58 -0.16 0.00 -1.82 0.00 0.00 55.36 52.09 2rp3 s GLN 62 Cb -0.13 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 2rp3 s GLN 62 CO 0.19 -0.98 0.37 -1.17 -1.32 0.00 0.00 175.29 172.39 2rp3 s LEU 63 N -3.14 4.26 -0.05 2.60 2.96 -1.26 -2.20 118.68 121.85 2rp3 s LEU 63 Ca 0.21 0.64 0.04 0.00 -0.22 0.00 0.00 54.13 54.80 2rp3 s LEU 63 Cb -0.04 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 2rp3 s LEU 63 CO 0.15 0.06 -0.19 0.00 -1.32 0.00 0.00 176.35 175.05 2rp3 s ALA 64 N 0.52 1.67 0.00 5.97 0.00 -0.66 -4.86 121.76 124.40 2rp3 s ALA 64 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2rp3 s ALA 64 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2rp3 s ALA 64 CO 0.07 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2rp3 n GLY 65 N 3.19 1.08 0.00 0.00 0.00 -1.26 -1.99 105.19 106.20 2rp3 n GLY 65 Ca -0.18 -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 -1.26 0.00 0.00 0.00 173.32 172.06 2rp3 n SER 66 N 2.63 0.00 -0.70 1.61 2.88 -1.26 -4.96 113.62 113.81 2rp3 n SER 66 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2rp3 n SER 66 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 2rp3 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rp3 n SER 67 N 0.00 1.25 -4.51 -3.46 3.41 -1.24 -4.84 113.62 104.23 2rp3 n SER 67 Ca 0.00 -2.75 -0.28 0.00 -0.26 0.00 0.00 58.87 55.58 2rp3 n SER 67 Cb 0.00 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.50 1.85 -0.25 4.33 2.02 -0.84 0.11 118.70 124.42 2rp3 s GLU 68 Ca 0.26 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 54.00 2rp3 s GLU 68 Cb 0.27 -2.09 0.04 0.00 0.10 0.00 0.00 34.13 32.45 2rp3 s GLU 68 CO -0.06 0.45 -0.10 -1.17 0.02 0.00 0.00 175.26 174.41 2rp3 s LEU 69 N -2.48 3.24 -0.12 1.80 1.98 0.06 -1.65 118.68 121.51 2rp3 s LEU 69 Ca 0.21 -1.13 -0.04 0.00 -2.89 0.00 0.00 54.13 50.28 2rp3 s LEU 69 Cb -0.09 -1.59 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 2rp3 s LEU 69 CO 0.12 -0.15 0.04 0.00 -1.89 0.00 0.00 176.35 174.46 2rp3 s ALA 70 N 1.21 3.40 -0.01 5.97 0.00 -0.93 -2.33 121.76 129.06 2rp3 s ALA 70 Ca -0.04 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 2rp3 s ALA 70 Cb -0.18 -1.67 0.10 0.00 0.00 0.00 0.00 23.12 21.37 2rp3 s ALA 70 CO -0.06 0.48 0.86 0.00 0.00 0.00 0.00 175.76 177.05 2rp3 s ALA 71 N -0.55 -1.81 -0.20 0.00 0.00 -0.51 -1.30 121.76 117.38 2rp3 s ALA 71 Ca 0.10 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 2rp3 s ALA 71 Cb -0.12 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2rp3 s ALA 71 CO 0.02 -0.64 0.26 -1.21 0.00 0.00 0.00 175.76 174.19 2rp3 s GLU 72 N -2.89 4.17 0.02 0.00 2.02 -1.01 -0.52 118.70 120.49 2rp3 s GLU 72 Ca 0.03 -0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.06 2rp3 s GLU 72 Cb -0.01 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2rp3 s GLU 72 CO -0.08 0.11 -0.22 0.00 0.02 0.00 0.00 175.26 175.09 2rp3 s LYS 74 N -0.96 4.54 0.89 0.00 2.20 -0.33 -1.33 119.74 124.75 2rp3 s LYS 74 Ca 0.09 1.52 -0.14 0.00 -0.36 0.00 0.00 55.97 57.07 2rp3 s LYS 74 Cb -0.09 -3.42 0.14 0.00 -1.51 0.00 0.00 37.83 32.95 2rp3 s LYS 74 CO 0.01 -0.08 1.25 0.95 -0.36 0.00 0.00 175.35 177.12 2rp3 s THR 75 N 0.93 2.01 0.63 3.43 -4.23 0.12 -2.97 115.64 115.57 2rp3 s THR 75 Ca 0.53 -0.01 0.37 0.00 -1.18 0.00 0.00 61.69 61.40 2rp3 s THR 75 Cb -0.23 -2.99 0.40 0.00 1.34 0.00 0.00 72.50 71.01 2rp3 s THR 75 CO 0.29 0.00 2.27 0.00 -0.54 0.00 0.00 174.62 176.63 2rp3 h ALA 76 N -1.36 1.29 0.00 3.99 0.00 -1.90 0.14 119.26 121.43 2rp3 h ALA 76 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rp3 h ALA 76 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2rp3 h ALA 76 CO 0.51 -0.07 -0.63 0.00 0.00 0.00 0.00 179.25 179.06 2rp3 h ALA 77 N 1.91 0.62 -0.05 0.00 0.00 -1.96 -3.48 119.26 116.30 2rp3 h ALA 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rp3 h ALA 77 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2rp3 h ALA 77 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2rp3 n GLY 78 N 1.28 1.43 3.22 0.00 0.00 0.48 -5.11 105.19 106.49 2rp3 n GLY 78 Ca 0.03 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2rp3 n GLY 78 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rp3 s GLN 79 N -0.99 2.13 -0.26 1.61 -2.07 -1.26 -4.81 119.66 114.02 2rp3 s GLN 79 Ca 0.00 -0.78 -0.25 0.00 -1.82 0.00 0.00 55.36 52.50 2rp3 s GLN 79 Cb 0.00 -1.87 0.00 0.00 -1.09 0.00 0.00 33.01 30.05 2rp3 s GLN 79 CO 0.00 0.36 0.88 -0.06 -1.32 0.00 0.00 175.29 175.14 2rp3 s PHE 80 N -0.17 3.28 0.42 9.60 0.08 -1.26 0.14 117.98 130.07 2rp3 s PHE 80 Ca -0.01 1.13 0.07 0.00 0.12 0.00 0.00 56.93 58.24 2rp3 s PHE 80 Cb -0.12 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2rp3 s PHE 80 CO 0.02 -0.48 0.23 0.14 -0.10 0.00 0.00 175.22 175.03 2rp3 s VAL 81 N 3.00 2.34 -0.29 -0.44 -7.23 -0.44 -4.87 120.40 112.47 2rp3 s VAL 81 Ca 0.37 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 58.74 2rp3 s VAL 81 Cb -0.15 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2rp3 s VAL 81 CO 0.09 0.00 0.58 -0.44 -0.31 0.00 0.00 175.10 175.02 2rp3 s SER 82 N -3.97 6.46 0.09 4.85 0.01 -1.26 -1.97 113.70 117.90 2rp3 s SER 82 Ca 0.42 0.42 0.07 0.00 1.31 0.00 0.00 55.95 58.18 2rp3 s SER 82 Cb 0.02 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2rp3 s SER 82 CO 0.23 -0.41 -0.14 0.42 0.41 0.00 0.00 173.24 173.76 2rp3 s THR 83 N 2.47 3.08 0.04 1.44 -4.23 0.32 -4.98 115.64 113.78 2rp3 s THR 83 Ca 0.23 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2rp3 s THR 83 Cb -0.15 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2rp3 s THR 83 CO 0.11 0.18 0.03 -1.59 -0.54 0.00 0.00 174.62 172.81 2rp3 s LYS 84 N -1.95 0.54 -0.27 3.99 -2.85 -1.26 -1.43 119.74 116.52 2rp3 s LYS 84 Ca 0.18 -0.87 -0.24 0.00 -1.00 0.00 0.00 55.97 54.04 2rp3 s LYS 84 Cb -0.11 0.20 0.07 0.00 -2.06 0.00 0.00 37.83 35.94 2rp3 s LYS 84 CO 0.10 -0.12 0.72 -1.50 0.10 0.00 0.00 175.35 174.65 2rp3 s ILE 85 N -2.81 0.00 -0.35 3.79 2.07 -0.99 -4.77 121.20 118.15 2rp3 s ILE 85 Ca -0.03 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 2rp3 s ILE 85 Cb -0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 2rp3 s ILE 85 CO -0.06 0.00 1.02 0.21 -1.91 0.00 0.00 174.94 174.20 2rp3 s ASN 86 N 0.45 6.81 0.41 4.50 3.04 -1.26 -0.76 114.94 128.14 2rp3 s ASN 86 Ca -0.01 0.84 0.15 0.00 0.04 0.00 0.00 52.86 53.88 2rp3 s ASN 86 Cb -0.05 -2.51 0.87 0.00 -1.54 0.00 0.00 41.25 38.02 2rp3 s ASN 86 CO -0.00 -0.89 1.90 -0.07 -3.04 0.00 0.00 177.10 174.99 2rp3 h LEU 87 N 10.15 0.00 -1.35 3.21 3.38 0.47 -1.70 115.31 129.47 2rp3 h LEU 87 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2rp3 h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2rp3 h LEU 87 CO 1.02 0.29 0.00 -2.24 0.09 0.00 0.00 178.44 177.60 2rp3 h ASP 88 N 0.00 0.00 0.25 -0.43 3.04 -1.78 0.28 116.42 117.78 2rp3 h ASP 88 Ca -0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2rp3 h ASP 88 Cb 0.52 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2rp3 h ASP 88 CO 0.04 0.00 -0.02 -0.78 -2.04 0.00 0.00 179.24 176.44 2rp3 h ASP 89 N 0.00 0.00 0.00 4.15 3.58 -1.59 0.07 116.42 122.63 2rp3 h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rp3 h ASP 89 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2rp3 h ASP 89 CO 0.00 0.02 0.00 1.41 -2.88 0.00 0.00 179.24 177.79 2rp3 n HIS 90 N -3.25 -0.36 -1.62 0.28 8.25 -0.85 -4.58 115.22 113.08 2rp3 n HIS 90 Ca -0.02 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.94 2rp3 n HIS 90 Cb 0.14 0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 2rp3 n HIS 90 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2rp3 n ILE 91 N -1.76 0.44 -4.22 1.59 2.08 0.92 -2.88 119.36 115.52 2rp3 n ILE 91 Ca 0.00 -0.17 -0.25 0.00 0.56 0.00 0.00 62.75 62.89 2rp3 n ILE 91 Cb 0.00 -1.81 -0.03 0.00 -0.75 0.00 0.00 39.64 37.05 2rp3 n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rp3 n ALA 92 N 7.72 0.56 -3.94 -1.39 0.00 0.42 -1.96 120.51 121.93 2rp3 n ALA 92 Ca 0.28 -1.93 -0.30 0.00 0.00 0.00 0.00 53.44 51.49 2rp3 n ALA 92 Cb 0.27 0.92 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 2rp3 n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2rp3 s ASN 93 N -3.59 3.46 -0.34 0.00 2.47 -1.26 -2.34 114.94 113.33 2rp3 s ASN 93 Ca 0.14 -0.97 -0.02 0.00 0.42 0.00 0.00 52.86 52.43 2rp3 s ASN 93 Cb -0.01 -1.12 0.07 0.00 -1.45 0.00 0.00 41.25 38.75 2rp3 s ASN 93 CO 0.09 -0.20 0.08 -0.63 -3.72 0.00 0.00 177.10 172.72 2rp3 s ILE 94 N 1.46 3.08 -1.58 -5.21 -1.09 0.91 -4.62 121.20 114.14 2rp3 s ILE 94 Ca -0.03 -1.67 -0.00 0.00 -2.23 0.00 0.00 60.65 56.72 2rp3 s ILE 94 Cb -0.17 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 2rp3 s ILE 94 CO -0.07 -0.34 0.01 -0.67 -1.23 0.00 0.00 174.94 172.64 2rp3 n ASP 95 N 4.60 -5.37 0.00 3.58 -0.08 -1.26 -1.85 116.55 116.17 2rp3 n ASP 95 Ca -0.08 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2rp3 n ASP 95 Cb 0.43 -4.43 0.00 0.00 2.34 0.00 0.00 41.12 39.46 2rp3 n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rp3 n GLY 96 N -1.02 0.63 3.35 0.27 0.00 -1.23 -4.07 105.19 103.10 2rp3 n GLY 96 Ca -0.22 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 2.13 -0.02 2.61 -4.23 -0.77 -4.25 115.64 109.11 2rp3 s THR 97 Ca 0.00 -1.48 -0.23 0.00 -1.18 0.00 0.00 61.69 58.79 2rp3 s THR 97 Cb 0.00 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 2rp3 s THR 97 CO 0.00 0.27 0.70 -0.76 -0.54 0.00 0.00 174.62 174.29 2rp3 s LEU 98 N -1.48 4.38 0.00 4.79 1.43 -1.26 -0.06 118.68 126.48 2rp3 s LEU 98 Ca 0.12 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 2rp3 s LEU 98 Cb -0.10 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.05 2rp3 s LEU 98 CO 0.03 -0.02 0.32 -0.54 0.23 0.00 0.00 176.35 176.37 2rp3 s LYS 99 N 0.30 0.72 0.02 1.70 3.01 -0.99 -4.74 119.74 119.76 2rp3 s LYS 99 Ca 0.36 -0.27 -0.23 0.00 -1.01 0.00 0.00 55.97 54.82 2rp3 s LYS 99 Cb -0.19 0.32 -0.05 0.00 -1.01 0.00 0.00 37.83 36.90 2rp3 s LYS 99 CO 0.19 -0.21 0.68 -0.47 0.51 0.00 0.00 175.35 176.05 2rp3 s TYR 100 N -1.70 3.71 -2.93 3.18 5.04 -1.26 -0.43 117.35 122.95 2rp3 s TYR 100 Ca -0.11 1.33 0.25 0.00 -2.44 0.00 0.00 57.07 56.09 2rp3 s TYR 100 Cb -0.04 -2.71 0.30 0.00 0.35 0.00 0.00 41.96 39.87 2rp3 s TYR 100 CO 0.02 0.31 1.32 0.39 -1.34 0.00 0.00 175.55 176.25