#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 2.06 4.25 -0.72 0.00 -1.20 -4.70 105.19 104.88 2rp3 n GLY 2 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 12.10 -0.82 -0.20 1.61 4.01 -0.23 -3.97 118.16 130.65 2rp3 n LYS 3 Ca 0.00 0.11 -0.06 0.00 -0.51 0.00 0.00 58.31 57.85 2rp3 n LYS 3 Cb 0.00 -3.93 0.09 0.00 -0.51 0.00 0.00 35.03 30.68 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 -1.11 1.08 -0.29 2.13 -0.00 -1.59 -2.23 116.94 114.94 2rp3 h PHE 4 Ca -0.57 -0.14 0.08 0.00 -0.00 0.00 0.00 57.97 57.34 2rp3 h PHE 4 Cb 1.28 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.92 2rp3 h PHE 4 CO 0.58 0.91 0.39 1.03 -0.00 0.00 0.00 178.31 181.23 2rp3 h SER 5 N 0.96 0.00 -0.18 -0.68 0.87 -1.84 0.17 113.55 112.86 2rp3 h SER 5 Ca 0.19 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2rp3 h SER 5 Cb 0.41 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2rp3 h SER 5 CO 0.01 0.00 -0.02 1.56 -0.53 0.00 0.00 176.83 177.85 2rp3 h GLN 6 N 0.00 0.46 -0.15 2.24 4.20 -1.76 -3.09 115.11 117.01 2rp3 h GLN 6 Ca 0.14 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 2rp3 h GLN 6 Cb 0.92 -0.07 -0.21 0.00 0.30 0.00 0.00 27.48 28.42 2rp3 h GLN 6 CO -0.00 0.50 -0.76 -2.37 -0.67 0.00 0.00 178.83 175.53 2rp3 n THR 7 N -4.29 1.53 -4.01 -0.54 5.66 0.37 -5.04 114.28 107.97 2rp3 n THR 7 Ca 0.01 -2.71 -0.12 0.00 -3.05 0.00 0.00 64.05 58.18 2rp3 n THR 7 Cb 0.24 0.13 -0.12 0.00 -1.55 0.00 0.00 70.33 69.02 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 -0.86 0.41 -1.21 0.00 -0.85 0.44 -4.67 117.35 110.62 2rp3 s TYR 9 Ca -0.08 -0.83 -0.00 0.00 -0.52 0.00 0.00 57.07 55.65 2rp3 s TYR 9 Cb -0.06 -0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.09 2rp3 s TYR 9 CO -0.00 -0.57 0.97 -1.71 -1.52 0.00 0.00 175.55 172.71 2rp3 n ASN 10 N -0.09 -2.10 -4.89 -0.18 5.15 -1.26 -1.41 115.26 110.48 2rp3 n ASN 10 Ca -0.11 -0.64 -0.29 0.00 -0.60 0.00 0.00 54.58 52.94 2rp3 n ASN 10 Cb 0.63 -5.03 -0.03 0.00 -0.53 0.00 0.00 39.78 34.82 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 -4.33 6.49 0.08 1.20 1.04 -1.26 -3.90 113.70 113.02 2rp3 s SER 11 Ca 0.01 0.91 -0.26 0.00 0.48 0.00 0.00 55.95 57.10 2rp3 s SER 11 Cb -0.00 -2.23 0.08 0.00 0.10 0.00 0.00 66.02 63.97 2rp3 s SER 11 CO 0.74 -0.28 0.68 0.00 0.98 0.00 0.00 173.24 175.36 2rp3 s ALA 12 N -2.20 -1.68 -0.02 5.32 0.00 0.16 -4.95 121.76 118.39 2rp3 s ALA 12 Ca 0.47 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.24 2rp3 s ALA 12 Cb -0.11 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2rp3 s ALA 12 CO 0.30 -0.66 -0.07 0.42 0.00 0.00 0.00 175.76 175.75 2rp3 s ILE 13 N -3.03 0.59 -0.33 0.00 1.01 -1.26 -1.04 121.20 117.14 2rp3 s ILE 13 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2rp3 s ILE 13 Cb -0.01 -0.53 0.14 0.00 0.01 0.00 0.00 42.46 42.08 2rp3 s ILE 13 CO -0.07 0.19 0.32 -1.58 0.00 0.00 0.00 174.94 173.80 2rp3 s GLN 14 N 0.10 0.48 0.00 2.79 -0.44 -1.04 -4.06 119.66 117.49 2rp3 s GLN 14 Ca -0.01 -0.57 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 2rp3 s GLN 14 Cb -0.06 -0.74 0.00 0.00 -1.64 0.00 0.00 33.01 30.57 2rp3 s GLN 14 CO -0.00 -1.12 0.00 0.41 0.50 0.00 0.00 175.29 175.08 2rp3 n GLY 15 N 4.72 2.07 0.29 2.59 0.00 -1.25 -3.74 105.19 109.87 2rp3 n GLY 15 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 4.18 0.00 -4.30 1.61 3.41 -1.26 -4.62 113.62 112.64 2rp3 n SER 16 Ca 0.00 -1.03 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 2rp3 n SER 16 Cb 0.00 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 2.86 -0.22 -3.33 0.11 -1.25 -0.93 120.40 117.66 2rp3 s VAL 17 Ca 0.00 -0.70 -0.10 0.00 -2.93 0.00 0.00 61.98 58.25 2rp3 s VAL 17 Cb 0.00 -2.22 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 2rp3 s VAL 17 CO 0.00 0.51 0.14 -0.22 -3.33 0.00 0.00 175.10 172.19 2rp3 s LEU 18 N 0.78 4.12 -0.06 2.54 2.96 -0.81 -2.50 118.68 125.71 2rp3 s LEU 18 Ca -0.05 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2rp3 s LEU 18 Cb -0.15 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.46 2rp3 s LEU 18 CO 0.01 0.13 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.14 2rp3 s THR 19 N 0.69 1.19 -0.16 3.68 2.01 -0.21 -1.09 115.64 121.76 2rp3 s THR 19 Ca 0.07 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 2rp3 s THR 19 Cb -0.12 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.38 2rp3 s THR 19 CO 0.01 0.36 0.70 -0.55 -0.69 0.00 0.00 174.62 174.46 2rp3 s SER 20 N 0.50 -0.70 -0.13 3.53 0.15 -1.13 -0.67 113.70 115.25 2rp3 s SER 20 Ca -0.12 1.06 -0.21 0.00 0.70 0.00 0.00 55.95 57.39 2rp3 s SER 20 Cb -0.14 0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 2rp3 s SER 20 CO 0.03 -0.44 0.60 -0.89 1.20 0.00 0.00 173.24 173.75 2rp3 s THR 21 N -0.44 5.08 0.10 6.45 2.01 -0.50 -3.60 115.64 124.74 2rp3 s THR 21 Ca -0.06 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.20 2rp3 s THR 21 Cb -0.02 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2rp3 s THR 21 CO 0.06 0.22 -0.15 0.00 -0.69 0.00 0.00 174.62 174.06 2rp3 s GLU 23 N -2.26 4.18 0.93 0.00 2.02 -1.19 -2.09 118.70 120.29 2rp3 s GLU 23 Ca 0.05 1.66 -0.11 0.00 0.02 0.00 0.00 54.97 56.59 2rp3 s GLU 23 Cb -0.07 -3.80 0.15 0.00 0.10 0.00 0.00 34.13 30.50 2rp3 s GLU 23 CO 0.03 -0.78 1.12 1.03 0.02 0.00 0.00 175.26 176.67 2rp3 s ARG 24 N 3.65 0.96 -0.08 1.61 0.52 0.22 -3.68 118.95 122.14 2rp3 s ARG 24 Ca 0.57 1.34 0.18 0.00 -0.52 0.00 0.00 55.73 57.29 2rp3 s ARG 24 Cb -0.22 -1.74 -0.23 0.00 0.52 0.00 0.00 34.95 33.28 2rp3 s ARG 24 CO 0.17 -2.60 0.42 2.41 0.02 0.00 0.00 175.30 175.72 2rp3 n THR 25 N -4.19 1.15 -0.04 0.02 -1.04 -1.25 -4.67 114.28 104.26 2rp3 n THR 25 Ca 0.10 -0.75 -0.04 0.00 -2.04 0.00 0.00 64.05 61.32 2rp3 n THR 25 Cb 0.53 -0.54 -0.01 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.75 0.96 -1.40 8.00 4.05 -1.26 -5.04 115.26 117.82 2rp3 n ASN 26 Ca -0.20 0.16 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2rp3 n ASN 26 Cb 0.97 -0.56 0.00 0.00 1.23 0.00 0.00 39.78 41.42 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rp3 n GLY 27 N 1.78 0.26 0.00 8.20 0.00 -1.26 -5.10 105.19 109.06 2rp3 n GLY 27 Ca -0.06 -1.33 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 4.26 0.09 3.73 -0.02 0.00 -1.26 -4.58 105.19 107.41 2rp3 n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.13 3.02 -0.13 1.61 2.02 -1.26 0.69 117.35 124.43 2rp3 s TYR 29 Ca 0.00 -0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 56.60 2rp3 s TYR 29 Cb 0.00 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 40.14 2rp3 s TYR 29 CO 0.00 0.51 0.27 1.21 -1.57 0.00 0.00 175.55 175.97 2rp3 s ASN 30 N -2.82 0.06 -0.60 2.29 2.47 -0.89 -4.83 114.94 110.63 2rp3 s ASN 30 Ca 0.28 0.61 -0.11 0.00 0.42 0.00 0.00 52.86 54.07 2rp3 s ASN 30 Cb -0.10 0.64 0.15 0.00 -1.45 0.00 0.00 41.25 40.49 2rp3 s ASN 30 CO 0.21 -0.21 0.50 -0.89 -3.72 0.00 0.00 177.10 172.98 2rp3 s THR 31 N 1.99 4.69 0.56 -5.21 2.01 -1.26 -2.16 115.64 116.26 2rp3 s THR 31 Ca -0.03 -2.08 0.04 0.00 0.31 0.00 0.00 61.69 59.94 2rp3 s THR 31 Cb -0.11 -4.01 0.04 0.00 0.01 0.00 0.00 72.50 68.43 2rp3 s THR 31 CO -0.09 -0.87 0.37 -0.94 -0.69 0.00 0.00 174.62 172.40 2rp3 s SER 32 N 2.44 4.55 0.03 3.53 1.04 -1.24 -4.96 113.70 119.09 2rp3 s SER 32 Ca 0.10 -1.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.13 2rp3 s SER 32 Cb -0.22 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2rp3 s SER 32 CO -0.02 -1.16 0.07 -0.94 0.98 0.00 0.00 173.24 172.17 2rp3 s SER 33 N -4.27 0.18 -0.03 7.02 1.04 -1.26 -2.83 113.70 113.54 2rp3 s SER 33 Ca 0.28 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 2rp3 s SER 33 Cb -0.02 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.31 2rp3 s SER 33 CO 0.18 -0.43 0.05 -0.51 0.98 0.00 0.00 173.24 173.51 2rp3 s ILE 34 N -2.09 -0.09 -0.14 -1.02 1.10 -0.25 -4.86 121.20 113.86 2rp3 s ILE 34 Ca -0.10 0.35 -0.29 0.00 -0.51 0.00 0.00 60.65 60.10 2rp3 s ILE 34 Cb -0.04 -0.13 -0.02 0.00 0.15 0.00 0.00 42.46 42.41 2rp3 s ILE 34 CO -0.02 0.15 1.37 -0.62 -2.11 0.00 0.00 174.94 173.70 2rp3 s ASP 35 N 1.77 6.86 0.00 4.50 2.15 -1.26 -1.92 116.67 128.78 2rp3 s ASP 35 Ca -0.00 1.82 0.22 0.00 0.43 0.00 0.00 52.55 55.02 2rp3 s ASP 35 Cb -0.12 -2.54 1.21 0.00 -0.30 0.00 0.00 42.92 41.17 2rp3 s ASP 35 CO -0.03 -0.82 1.70 0.18 -0.17 0.00 0.00 175.17 176.04 2rp3 n LEU 36 N 6.79 0.00 0.24 -1.34 4.77 -0.10 -2.74 117.00 124.62 2rp3 n LEU 36 Ca 0.15 0.15 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 2rp3 n LEU 36 Cb 0.44 -0.15 0.57 0.00 -2.33 0.00 0.00 43.42 41.95 2rp3 n LEU 36 CO 0.58 -0.04 0.88 -1.13 -1.33 0.00 0.00 177.39 176.34 2rp3 h ASN 37 N 0.00 0.00 -0.13 -1.43 -0.73 -1.86 -0.49 115.58 110.94 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 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 2rp3 h ASN 37 CO 0.00 0.15 0.00 -1.20 -0.37 0.00 0.00 177.43 176.01 2rp3 n SER 38 N -3.36 1.47 -0.12 1.15 7.64 -1.11 -3.39 113.62 115.90 2rp3 n SER 38 Ca -0.00 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2rp3 n SER 38 Cb 0.36 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.19 0.00 -4.11 0.44 0.24 -0.63 -4.67 118.33 109.79 2rp3 n VAL 39 Ca 0.16 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.30 2rp3 n VAL 39 Cb 0.31 0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 33.19 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 0.36 0.09 1.34 -1.09 0.40 -2.49 121.20 119.81 2rp3 s ILE 40 Ca 0.00 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.35 2rp3 s ILE 40 Cb 0.00 -0.34 -0.03 0.00 -1.58 0.00 0.00 42.46 40.50 2rp3 s ILE 40 CO 0.00 0.13 -0.21 0.00 -1.23 0.00 0.00 174.94 173.63 2rp3 s ALA 41 N 0.20 1.81 -0.36 9.38 0.00 -0.75 -2.01 121.76 130.04 2rp3 s ALA 41 Ca -0.02 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 2rp3 s ALA 41 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2rp3 s ALA 41 CO -0.00 0.38 0.20 0.00 0.00 0.00 0.00 175.76 176.33 2rp3 s ALA 42 N -1.07 3.31 -0.24 0.00 0.00 -1.26 -2.45 121.76 120.05 2rp3 s ALA 42 Ca 0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 2rp3 s ALA 42 Cb -0.10 -2.56 0.07 0.00 0.00 0.00 0.00 23.12 20.54 2rp3 s ALA 42 CO 0.04 -1.21 0.02 0.08 0.00 0.00 0.00 175.76 174.69 2rp3 s VAL 43 N 1.59 1.05 -1.74 0.00 1.01 -0.76 -4.79 120.40 116.76 2rp3 s VAL 43 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2rp3 s VAL 43 Cb -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2rp3 s VAL 43 CO 0.07 -0.31 0.00 0.47 0.00 0.00 0.00 175.10 175.33 2rp3 n ASP 44 N 4.83 -5.67 -0.00 3.32 8.00 -1.26 -2.04 116.55 123.73 2rp3 n ASP 44 Ca -0.08 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2rp3 n ASP 44 Cb 0.44 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 2rp3 n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rp3 n GLY 45 N -0.98 0.63 2.92 0.44 0.00 -1.11 -4.58 105.19 102.51 2rp3 n GLY 45 Ca -0.23 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.84 1.34 -0.25 1.61 0.01 -0.87 -4.63 113.70 108.08 2rp3 s SER 46 Ca 0.00 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 2rp3 s SER 46 Cb 0.00 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 2rp3 s SER 46 CO 0.00 -0.05 0.57 -0.76 0.41 0.00 0.00 173.24 173.41 2rp3 s LEU 47 N 1.03 4.07 0.09 2.44 1.43 -1.26 -1.83 118.68 124.65 2rp3 s LEU 47 Ca -0.09 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 2rp3 s LEU 47 Cb -0.14 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2rp3 s LEU 47 CO -0.00 -0.31 -0.21 -0.54 0.23 0.00 0.00 176.35 175.51 2rp3 s LYS 48 N 2.30 1.21 0.00 1.70 -0.14 -1.03 -4.90 119.74 118.89 2rp3 s LYS 48 Ca 0.24 -1.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 2rp3 s LYS 48 Cb -0.16 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.54 2rp3 s LYS 48 CO 0.09 0.35 0.00 0.91 -0.76 0.00 0.00 175.35 175.94 2rp3 n TRP 49 N 1.26 -2.63 -3.91 3.18 7.02 -1.26 -1.81 117.44 119.29 2rp3 n TRP 49 Ca -0.19 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.00 2rp3 n TRP 49 Cb 0.53 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.60 -0.61 -3.91 -0.99 10.64 -1.04 -4.58 117.38 115.29 2rp3 n GLN 50 Ca 0.00 -0.08 -0.09 0.00 -1.83 0.00 0.00 57.00 55.00 2rp3 n GLN 50 Cb 0.00 -1.67 -0.01 0.00 -0.86 0.00 0.00 30.24 27.69 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 -3.98 0.46 0.25 2.61 0.00 -1.20 -4.91 107.32 100.55 2rp3 s GLY 51 Ca 0.24 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 44.01 2rp3 s GLY 51 CO 0.67 -0.43 0.56 -1.35 0.00 0.00 0.00 173.10 172.56 2rp3 s SER 52 N -3.05 -0.18 -0.68 1.64 1.04 -0.85 0.15 113.70 111.78 2rp3 s SER 52 Ca 0.18 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2rp3 s SER 52 Cb -0.04 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2rp3 s SER 52 CO 0.11 -1.19 0.58 -3.20 0.98 0.00 0.00 173.24 170.53 2rp3 n ASN 53 N -0.40 -3.57 -0.05 7.02 5.15 -1.22 -4.43 115.26 117.77 2rp3 n ASN 53 Ca -0.04 -0.41 -0.06 0.00 -0.60 0.00 0.00 54.58 53.47 2rp3 n ASN 53 Cb 0.61 -3.35 -0.05 0.00 -0.53 0.00 0.00 39.78 36.46 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2rp3 n PHE 54 N -2.71 0.00 -0.33 1.20 1.16 -1.24 -4.09 117.46 111.44 2rp3 n PHE 54 Ca -0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.47 2rp3 n PHE 54 Cb 0.59 -0.40 0.16 0.00 -1.61 0.00 0.00 39.48 38.21 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 -0.34 1.97 6.09 -1.87 0.07 117.51 124.66 2rp3 h ILE 55 Ca -0.23 -0.43 0.10 0.00 -1.37 0.00 0.00 64.86 62.93 2rp3 h ILE 55 Cb 1.42 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 2rp3 h ILE 55 CO -0.02 0.23 0.32 -0.33 -3.07 0.00 0.00 178.15 175.28 2rp3 h GLU 56 N 1.25 0.00 -0.20 2.19 5.08 -1.99 0.18 114.58 121.10 2rp3 h GLU 56 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2rp3 h GLU 56 Cb -0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2rp3 h GLU 56 CO -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 2rp3 n ALA 57 N -2.43 2.74 -2.23 3.43 0.00 -0.11 -5.02 120.51 116.89 2rp3 n ALA 57 Ca 0.05 -2.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.09 2rp3 n ALA 57 Cb 0.49 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.92 1.82 -0.95 0.00 3.03 -0.60 -4.82 118.95 113.51 2rp3 s ARG 59 Ca 0.24 -1.04 -0.09 0.00 2.03 0.00 0.00 55.73 56.86 2rp3 s ARG 59 Cb 0.06 0.60 -0.01 0.00 -1.03 0.00 0.00 34.95 34.57 2rp3 s ARG 59 CO 0.04 -0.84 0.74 0.09 -1.13 0.00 0.00 175.30 174.20 2rp3 n ASN 60 N -0.62 -6.07 -4.81 -2.89 3.02 -1.26 -2.28 115.26 100.35 2rp3 n ASN 60 Ca -0.05 -0.71 -0.36 0.00 -0.03 0.00 0.00 54.58 53.43 2rp3 n ASN 60 Cb 0.59 -3.73 -0.07 0.00 -0.61 0.00 0.00 39.78 35.96 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 -3.22 5.09 0.17 3.41 -4.23 -1.26 -4.12 115.64 111.48 2rp3 s THR 61 Ca 0.24 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 2rp3 s THR 61 Cb -0.08 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.62 2rp3 s THR 61 CO 0.83 0.59 0.60 0.00 -0.54 0.00 0.00 174.62 176.10 2rp3 s GLN 62 N -1.06 1.33 0.12 3.99 1.03 -0.53 -3.93 119.66 120.60 2rp3 s GLN 62 Ca 0.15 -0.54 -0.30 0.00 0.04 0.00 0.00 55.36 54.72 2rp3 s GLN 62 Cb -0.12 0.59 -0.06 0.00 0.03 0.00 0.00 33.01 33.45 2rp3 s GLN 62 CO 0.05 -0.58 1.00 -1.17 -2.54 0.00 0.00 175.29 172.05 2rp3 s LEU 63 N -2.77 4.49 -0.02 2.60 2.96 -1.26 -1.81 118.68 122.87 2rp3 s LEU 63 Ca 0.02 1.87 0.05 0.00 -0.22 0.00 0.00 54.13 55.85 2rp3 s LEU 63 Cb -0.01 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2rp3 s LEU 63 CO -0.11 -0.13 -0.16 0.00 -1.32 0.00 0.00 176.35 174.63 2rp3 s ALA 64 N 0.03 1.39 0.00 5.97 0.00 -0.28 -4.86 121.76 124.01 2rp3 s ALA 64 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2rp3 s ALA 64 Cb -0.25 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2rp3 s ALA 64 CO 0.31 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.80 2rp3 n GLY 65 N 2.80 0.95 0.00 0.00 0.00 -1.26 -1.89 105.19 105.79 2rp3 n GLY 65 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.31 0.00 -0.14 1.61 2.88 -1.26 -4.96 113.62 114.07 2rp3 n SER 66 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2rp3 n SER 66 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.19 -4.85 -3.46 3.41 -1.24 -4.90 113.62 103.78 2rp3 n SER 67 Ca 0.00 -2.08 -0.28 0.00 -0.26 0.00 0.00 58.87 56.24 2rp3 n SER 67 Cb 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.07 3.11 -0.23 4.33 2.02 -0.79 0.34 118.70 126.40 2rp3 s GLU 68 Ca 0.09 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2rp3 s GLU 68 Cb 0.08 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.54 2rp3 s GLU 68 CO 0.01 0.54 -0.13 -1.17 0.02 0.00 0.00 175.26 174.52 2rp3 s LEU 69 N -2.84 2.98 -0.13 1.80 1.98 0.28 -1.13 118.68 121.64 2rp3 s LEU 69 Ca 0.32 -1.09 -0.04 0.00 -2.89 0.00 0.00 54.13 50.42 2rp3 s LEU 69 Cb -0.11 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 2rp3 s LEU 69 CO 0.25 -0.12 0.03 0.00 -1.89 0.00 0.00 176.35 174.62 2rp3 s ALA 70 N 1.19 3.37 0.27 5.97 0.00 -0.75 -2.13 121.76 129.67 2rp3 s ALA 70 Ca -0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 2rp3 s ALA 70 Cb -0.17 -1.68 0.06 0.00 0.00 0.00 0.00 23.12 21.32 2rp3 s ALA 70 CO -0.08 0.43 0.87 0.00 0.00 0.00 0.00 175.76 176.99 2rp3 s ALA 71 N -0.39 -1.24 -0.13 0.00 0.00 -0.21 -1.45 121.76 118.34 2rp3 s ALA 71 Ca 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2rp3 s ALA 71 Cb -0.12 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.74 2rp3 s ALA 71 CO 0.02 -1.03 -0.20 -1.21 0.00 0.00 0.00 175.76 173.35 2rp3 s GLU 72 N -2.79 2.74 0.07 0.00 2.02 -0.97 0.00 118.70 119.78 2rp3 s GLU 72 Ca 0.16 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 54.49 2rp3 s GLU 72 Cb -0.04 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 2rp3 s GLU 72 CO 0.07 -0.04 -0.26 0.00 0.02 0.00 0.00 175.26 175.04 2rp3 s LYS 74 N -1.51 4.51 0.85 0.00 2.20 -0.31 -1.98 119.74 123.49 2rp3 s LYS 74 Ca 0.13 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.49 2rp3 s LYS 74 Cb -0.10 -3.24 0.14 0.00 -1.51 0.00 0.00 37.83 33.12 2rp3 s LYS 74 CO 0.03 -0.05 1.19 0.95 -0.36 0.00 0.00 175.35 177.11 2rp3 s THR 75 N -0.20 2.07 0.50 3.43 -4.23 0.24 -2.74 115.64 114.72 2rp3 s THR 75 Ca 0.52 -0.14 0.24 0.00 -1.18 0.00 0.00 61.69 61.13 2rp3 s THR 75 Cb -0.32 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2rp3 s THR 75 CO 0.37 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.58 2rp3 h ALA 76 N -1.16 1.55 0.00 3.99 0.00 -1.88 -0.64 119.26 121.11 2rp3 h ALA 76 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2rp3 h ALA 76 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rp3 h ALA 76 CO 0.48 0.09 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 2rp3 n ALA 77 N -2.38 2.75 -0.29 0.00 0.00 -1.26 -4.93 120.51 114.40 2rp3 n ALA 77 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2rp3 n ALA 77 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.39 1.11 3.08 0.00 0.00 -0.25 -5.11 105.19 105.41 2rp3 n GLY 78 Ca 0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 1.68 -0.28 1.61 -0.21 -1.26 -4.80 119.66 115.69 2rp3 s GLN 79 Ca 0.00 -0.50 -0.27 0.00 0.02 0.00 0.00 55.36 54.61 2rp3 s GLN 79 Cb 0.00 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.59 2rp3 s GLN 79 CO 0.00 0.14 0.95 -0.06 -2.12 0.00 0.00 175.29 174.20 2rp3 s PHE 80 N 0.30 3.24 0.45 0.91 0.08 -1.26 0.82 117.98 122.53 2rp3 s PHE 80 Ca -0.08 1.15 0.05 0.00 0.12 0.00 0.00 56.93 58.17 2rp3 s PHE 80 Cb -0.13 -3.36 0.05 0.00 -0.57 0.00 0.00 43.02 39.01 2rp3 s PHE 80 CO 0.03 -0.58 0.39 1.33 -0.10 0.00 0.00 175.22 176.29 2rp3 n VAL 81 N 5.55 0.00 -3.34 -0.44 0.24 -0.84 -4.89 118.33 114.61 2rp3 n VAL 81 Ca 0.09 -1.74 -0.44 0.00 -2.04 0.00 0.00 64.34 60.21 2rp3 n VAL 81 Cb 0.47 -0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 2rp3 n VAL 81 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2rp3 s SER 82 N -3.69 6.17 -0.06 -1.34 1.04 -1.26 -3.22 113.70 111.34 2rp3 s SER 82 Ca 0.30 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 2rp3 s SER 82 Cb -0.02 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 2rp3 s SER 82 CO 0.19 -0.65 0.06 0.42 0.98 0.00 0.00 173.24 174.24 2rp3 s THR 83 N 1.94 4.69 0.03 2.02 -4.23 0.10 -4.99 115.64 115.21 2rp3 s THR 83 Ca 0.08 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2rp3 s THR 83 Cb -0.21 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 2rp3 s THR 83 CO 0.10 0.51 -0.05 -1.59 -0.54 0.00 0.00 174.62 173.04 2rp3 s LYS 84 N -1.25 0.44 -0.26 3.99 0.00 -1.26 -1.04 119.74 120.36 2rp3 s LYS 84 Ca 0.17 -0.76 -0.25 0.00 0.00 0.00 0.00 55.97 55.13 2rp3 s LYS 84 Cb -0.12 -0.05 0.08 0.00 0.00 0.00 0.00 37.83 37.75 2rp3 s LYS 84 CO 0.07 -0.02 0.79 -1.50 0.00 0.00 0.00 175.35 174.69 2rp3 s ILE 85 N -1.76 0.00 -0.39 3.79 2.07 -0.90 -4.82 121.20 119.19 2rp3 s ILE 85 Ca -0.10 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.86 2rp3 s ILE 85 Cb -0.08 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.53 2rp3 s ILE 85 CO -0.01 0.00 1.02 0.21 -1.91 0.00 0.00 174.94 174.24 2rp3 s ASN 86 N 0.26 6.72 0.43 4.50 3.04 -1.26 -0.55 114.94 128.07 2rp3 s ASN 86 Ca 0.00 0.64 0.17 0.00 0.04 0.00 0.00 52.86 53.71 2rp3 s ASN 86 Cb -0.05 -2.51 0.98 0.00 -1.54 0.00 0.00 41.25 38.14 2rp3 s ASN 86 CO -0.00 -0.98 1.94 -0.07 -3.04 0.00 0.00 177.10 174.95 2rp3 h LEU 87 N 10.40 0.00 -0.41 3.21 3.38 -0.44 -1.51 115.31 129.94 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 1.04 0.24 0.00 -0.90 0.09 0.00 0.00 178.44 178.91 2rp3 n ASP 88 N -4.06 0.25 0.24 -0.43 5.75 -1.21 -0.11 116.55 116.99 2rp3 n ASP 88 Ca -0.02 0.58 0.10 0.00 -0.01 0.00 0.00 54.79 55.45 2rp3 n ASP 88 Cb 0.31 -0.63 0.62 0.00 -1.03 0.00 0.00 41.12 40.39 2rp3 n ASP 88 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2rp3 h ASP 89 N 0.00 0.00 0.00 -1.12 1.82 -1.60 -0.61 116.42 114.91 2rp3 h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rp3 h ASP 89 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2rp3 h ASP 89 CO 0.00 0.17 0.00 1.41 -1.61 0.00 0.00 179.24 179.21 2rp3 n HIS 90 N -3.74 0.00 -1.66 0.28 8.25 -0.96 -4.60 115.22 112.79 2rp3 n HIS 90 Ca -0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.00 2rp3 n HIS 90 Cb 0.29 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.33 0.67 -4.63 1.59 2.08 0.85 -1.90 119.36 116.70 2rp3 n ILE 91 Ca 0.00 -0.14 -0.28 0.00 0.56 0.00 0.00 62.75 62.89 2rp3 n ILE 91 Cb 0.00 -2.15 -0.09 0.00 -0.75 0.00 0.00 39.64 36.65 2rp3 n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rp3 s ALA 92 N 4.54 3.32 -0.26 -1.39 0.00 0.41 -1.66 121.76 126.72 2rp3 s ALA 92 Ca 0.91 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2rp3 s ALA 92 Cb -0.54 0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2rp3 s ALA 92 CO 0.46 -0.15 -0.01 1.21 0.00 0.00 0.00 175.76 177.27 2rp3 s ASN 93 N -3.72 4.57 -0.37 0.00 2.47 -1.26 -1.92 114.94 114.71 2rp3 s ASN 93 Ca 0.23 -0.77 -0.03 0.00 0.42 0.00 0.00 52.86 52.72 2rp3 s ASN 93 Cb 0.06 -1.74 0.09 0.00 -1.45 0.00 0.00 41.25 38.20 2rp3 s ASN 93 CO 0.12 -0.14 0.14 -0.63 -3.72 0.00 0.00 177.10 172.87 2rp3 s ILE 94 N 1.40 3.26 -1.91 -5.21 -1.09 0.79 -4.61 121.20 113.83 2rp3 s ILE 94 Ca 0.02 -1.77 0.00 0.00 -2.23 0.00 0.00 60.65 56.66 2rp3 s ILE 94 Cb -0.17 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2rp3 s ILE 94 CO -0.02 -0.48 0.00 -0.67 -1.23 0.00 0.00 174.94 172.54 2rp3 n ASP 95 N 4.63 -5.64 0.00 3.58 -0.08 -1.26 -1.25 116.55 116.53 2rp3 n ASP 95 Ca -0.06 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2rp3 n ASP 95 Cb 0.42 -4.76 0.00 0.00 2.34 0.00 0.00 41.12 39.12 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 -0.80 0.60 3.88 0.27 0.00 -1.24 -3.75 105.19 104.15 2rp3 n GLY 96 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.37 5.08 -0.23 2.61 -4.23 -0.38 -4.13 115.64 111.99 2rp3 s THR 97 Ca 0.00 -0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 2rp3 s THR 97 Cb 0.00 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2rp3 s THR 97 CO 0.00 0.08 0.52 -0.76 -0.54 0.00 0.00 174.62 173.91 2rp3 s LEU 98 N -2.65 4.09 0.20 4.79 1.43 -1.26 -0.15 118.68 125.14 2rp3 s LEU 98 Ca 0.33 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2rp3 s LEU 98 Cb -0.12 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2rp3 s LEU 98 CO 0.26 -0.24 0.17 -0.54 0.23 0.00 0.00 176.35 176.23 2rp3 s LYS 99 N 2.02 1.24 -0.16 1.70 1.02 -0.81 -4.60 119.74 120.15 2rp3 s LYS 99 Ca 0.22 -1.59 -0.08 0.00 0.02 0.00 0.00 55.97 54.54 2rp3 s LYS 99 Cb -0.15 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 2rp3 s LYS 99 CO 0.09 -0.42 0.13 -0.47 -0.92 0.00 0.00 175.35 173.76 2rp3 s TYR 100 N -4.14 3.49 -2.54 3.18 6.14 -1.26 -0.44 117.35 121.77 2rp3 s TYR 100 Ca 0.37 0.41 0.20 0.00 0.64 0.00 0.00 57.07 58.70 2rp3 s TYR 100 Cb 0.06 -2.04 0.16 0.00 0.42 0.00 0.00 41.96 40.56 2rp3 s TYR 100 CO 0.12 0.51 1.14 0.39 0.64 0.00 0.00 175.55 178.35