#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 0.33 2.92 -0.72 0.00 -1.22 -4.83 105.19 101.68 2rp3 n GLY 2 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 11.51 -1.45 -0.08 1.61 4.01 0.61 -3.95 118.16 130.41 2rp3 n LYS 3 Ca 0.00 1.06 -0.14 0.00 -0.51 0.00 0.00 58.31 58.72 2rp3 n LYS 3 Cb 0.00 -1.51 -0.14 0.00 -0.51 0.00 0.00 35.03 32.87 2rp3 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 2rp3 n PHE 4 N -0.18 0.33 -0.04 2.13 -1.74 -1.08 -4.14 117.46 112.73 2rp3 n PHE 4 Ca -0.07 0.09 0.22 0.00 -0.56 0.00 0.00 57.45 57.13 2rp3 n PHE 4 Cb 0.52 -1.05 0.70 0.00 1.52 0.00 0.00 39.48 41.17 2rp3 n PHE 4 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2rp3 h SER 5 N 0.01 0.00 -0.15 5.98 0.87 -1.87 0.34 113.55 118.73 2rp3 h SER 5 Ca -0.50 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.08 2rp3 h SER 5 Cb 2.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.02 2rp3 h SER 5 CO 0.01 0.00 0.10 1.56 -0.53 0.00 0.00 176.83 177.97 2rp3 h GLN 6 N 0.00 0.10 -0.24 2.24 4.20 -1.96 -2.75 115.11 116.71 2rp3 h GLN 6 Ca 0.29 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.78 2rp3 h GLN 6 Cb 1.19 -0.02 -0.31 0.00 0.30 0.00 0.00 27.48 28.64 2rp3 h GLN 6 CO -0.00 0.07 -0.89 -2.37 -0.67 0.00 0.00 178.83 174.96 2rp3 n THR 7 N -4.51 1.29 -3.88 -0.54 5.66 0.90 -5.05 114.28 108.15 2rp3 n THR 7 Ca -0.00 -2.58 -0.11 0.00 -3.05 0.00 0.00 64.05 58.30 2rp3 n THR 7 Cb 0.15 0.40 -0.12 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.64 0.59 -1.18 0.00 1.13 0.63 -4.65 117.35 113.22 2rp3 s TYR 9 Ca -0.07 -1.00 -0.04 0.00 -1.41 0.00 0.00 57.07 54.55 2rp3 s TYR 9 Cb -0.04 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 2rp3 s TYR 9 CO 0.00 -0.54 1.00 -1.71 -2.51 0.00 0.00 175.55 171.79 2rp3 n ASN 10 N -0.08 -3.77 -4.82 -0.18 5.15 -1.26 -1.02 115.26 109.27 2rp3 n ASN 10 Ca -0.09 -0.54 -0.33 0.00 -0.60 0.00 0.00 54.58 53.02 2rp3 n ASN 10 Cb 0.63 -4.77 -0.06 0.00 -0.53 0.00 0.00 39.78 35.05 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 -3.85 6.84 -0.04 1.20 1.04 -1.26 -3.93 113.70 113.71 2rp3 s SER 11 Ca 0.23 1.68 -0.22 0.00 0.48 0.00 0.00 55.95 58.12 2rp3 s SER 11 Cb -0.10 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2rp3 s SER 11 CO 0.68 -0.43 0.48 0.00 0.98 0.00 0.00 173.24 174.95 2rp3 s ALA 12 N -2.26 -1.22 -0.01 5.32 0.00 0.16 -4.96 121.76 118.78 2rp3 s ALA 12 Ca 0.62 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2rp3 s ALA 12 Cb -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2rp3 s ALA 12 CO 0.17 -0.30 -0.01 0.42 0.00 0.00 0.00 175.76 176.04 2rp3 s ILE 13 N -1.15 0.11 -0.31 0.00 1.01 -1.26 -0.66 121.20 118.94 2rp3 s ILE 13 Ca -0.12 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2rp3 s ILE 13 Cb -0.03 -0.13 0.18 0.00 0.01 0.00 0.00 42.46 42.48 2rp3 s ILE 13 CO 0.06 0.06 0.49 -1.58 0.00 0.00 0.00 174.94 173.97 2rp3 s GLN 14 N 0.26 0.52 0.00 2.79 2.00 -1.15 -4.15 119.66 119.93 2rp3 s GLN 14 Ca -0.02 0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.53 2rp3 s GLN 14 Cb -0.04 -0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.68 2rp3 s GLN 14 CO -0.01 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.13 2rp3 n GLY 15 N 5.23 1.96 0.53 2.59 0.00 -1.25 -3.99 105.19 110.27 2rp3 n GLY 15 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 4.07 -0.22 -4.15 1.61 3.41 -1.26 -4.64 113.62 112.42 2rp3 n SER 16 Ca 0.00 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.30 2rp3 n SER 16 Cb 0.00 0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.93 -0.18 -3.33 0.11 -1.26 -1.37 120.40 116.31 2rp3 s VAL 17 Ca 0.00 -0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 58.04 2rp3 s VAL 17 Cb 0.00 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.09 2rp3 s VAL 17 CO 0.00 0.53 0.16 -0.22 -3.33 0.00 0.00 175.10 172.23 2rp3 s LEU 18 N 0.75 4.25 -0.03 2.54 0.20 -0.03 -2.91 118.68 123.45 2rp3 s LEU 18 Ca -0.09 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.05 2rp3 s LEU 18 Cb -0.16 -2.13 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2rp3 s LEU 18 CO 0.00 0.21 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.38 2rp3 s THR 19 N 0.09 0.26 -0.20 3.68 2.01 0.16 -0.59 115.64 121.05 2rp3 s THR 19 Ca 0.11 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.91 2rp3 s THR 19 Cb -0.12 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.12 2rp3 s THR 19 CO 0.00 0.17 0.66 -0.94 -0.69 0.00 0.00 174.62 173.82 2rp3 s SER 20 N 1.05 -0.68 -0.10 3.53 1.04 -1.16 0.36 113.70 117.74 2rp3 s SER 20 Ca -0.09 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.22 2rp3 s SER 20 Cb -0.14 1.16 -0.01 0.00 0.10 0.00 0.00 66.02 67.13 2rp3 s SER 20 CO -0.01 -0.32 1.00 -0.89 0.98 0.00 0.00 173.24 173.99 2rp3 s THR 21 N -0.03 4.79 0.16 2.02 2.01 -0.19 -3.85 115.64 120.55 2rp3 s THR 21 Ca -0.03 2.03 0.08 0.00 0.31 0.00 0.00 61.69 64.08 2rp3 s THR 21 Cb -0.04 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2rp3 s THR 21 CO 0.03 0.02 -0.17 0.00 -0.69 0.00 0.00 174.62 173.81 2rp3 s GLU 23 N -2.91 4.25 0.70 0.00 2.02 -1.17 -1.22 118.70 120.38 2rp3 s GLU 23 Ca 0.15 1.44 -0.15 0.00 0.02 0.00 0.00 54.97 56.43 2rp3 s GLU 23 Cb -0.05 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.54 2rp3 s GLU 23 CO 0.06 -0.65 1.16 1.03 0.02 0.00 0.00 175.26 176.88 2rp3 s ARG 24 N 3.26 2.42 0.08 1.61 0.52 0.17 -3.41 118.95 123.60 2rp3 s ARG 24 Ca 0.47 1.57 0.15 0.00 -0.52 0.00 0.00 55.73 57.40 2rp3 s ARG 24 Cb -0.17 -1.89 -0.13 0.00 0.52 0.00 0.00 34.95 33.29 2rp3 s ARG 24 CO 0.08 -1.58 0.93 1.15 0.02 0.00 0.00 175.30 175.90 2rp3 h THR 25 N -0.20 0.72 0.00 0.02 2.02 -1.85 -3.42 112.91 110.20 2rp3 h THR 25 Ca -0.47 -2.28 -0.07 0.00 0.77 0.00 0.00 66.41 64.36 2rp3 h THR 25 Cb 1.27 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 2rp3 h THR 25 CO 0.51 0.41 -0.87 -3.20 0.37 0.00 0.00 175.52 172.75 2rp3 n ASN 26 N -3.01 1.38 0.00 4.18 5.15 -1.26 -5.06 115.26 116.65 2rp3 n ASN 26 Ca -0.08 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 2rp3 n ASN 26 Cb 0.87 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 2rp3 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rp3 n GLY 27 N 2.36 0.82 0.00 8.20 0.00 -1.26 -5.12 105.19 110.19 2rp3 n GLY 27 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 4.92 0.78 3.60 -0.02 0.00 -1.26 -4.72 105.19 108.49 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 1.67 2.96 -0.04 1.61 2.02 -1.26 0.42 117.35 124.73 2rp3 s TYR 29 Ca 0.00 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2rp3 s TYR 29 Cb 0.00 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2rp3 s TYR 29 CO 0.00 0.36 -0.05 1.21 -1.57 0.00 0.00 175.55 175.51 2rp3 s ASN 30 N -0.97 0.96 -0.53 2.29 2.47 -0.35 -4.87 114.94 113.94 2rp3 s ASN 30 Ca 0.14 -0.13 0.01 0.00 0.42 0.00 0.00 52.86 53.29 2rp3 s ASN 30 Cb -0.11 -0.45 0.14 0.00 -1.45 0.00 0.00 41.25 39.37 2rp3 s ASN 30 CO 0.03 -0.05 0.30 -0.89 -3.72 0.00 0.00 177.10 172.77 2rp3 s THR 31 N 0.91 3.08 0.42 -5.21 2.01 -1.26 -0.88 115.64 114.71 2rp3 s THR 31 Ca -0.11 -2.95 0.05 0.00 0.31 0.00 0.00 61.69 58.99 2rp3 s THR 31 Cb -0.14 -3.08 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2rp3 s THR 31 CO 0.00 -0.80 0.42 -1.20 -0.69 0.00 0.00 174.62 172.35 2rp3 n SER 32 N 3.53 2.04 -3.99 3.53 7.64 -1.25 -4.92 113.62 120.19 2rp3 n SER 32 Ca 0.05 -2.32 -0.08 0.00 1.01 0.00 0.00 58.87 57.53 2rp3 n SER 32 Cb 0.36 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 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 -3.53 0.30 -0.02 6.43 1.04 -1.26 -2.97 113.70 113.70 2rp3 s SER 33 Ca 0.32 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2rp3 s SER 33 Cb -0.03 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2rp3 s SER 33 CO 0.20 -0.51 0.02 -0.51 0.98 0.00 0.00 173.24 173.42 2rp3 s ILE 34 N -2.92 -0.00 -0.31 -1.02 -1.16 0.24 -4.85 121.20 111.19 2rp3 s ILE 34 Ca -0.02 0.14 -0.29 0.00 -0.51 0.00 0.00 60.65 59.97 2rp3 s ILE 34 Cb 0.01 -0.10 0.01 0.00 0.61 0.00 0.00 42.46 42.99 2rp3 s ILE 34 CO -0.06 0.08 1.09 -0.62 -2.81 0.00 0.00 174.94 172.62 2rp3 s ASP 35 N 0.81 6.93 0.00 4.50 -1.08 -1.26 -0.85 116.67 125.72 2rp3 s ASP 35 Ca -0.07 1.10 0.18 0.00 -0.52 0.00 0.00 52.55 53.25 2rp3 s ASP 35 Cb -0.10 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.75 2rp3 s ASP 35 CO -0.02 -0.87 1.56 0.18 0.52 0.00 0.00 175.17 176.53 2rp3 n LEU 36 N 6.86 0.00 0.22 -1.34 4.77 -0.47 -2.68 117.00 124.35 2rp3 n LEU 36 Ca 0.12 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.47 2rp3 n LEU 36 Cb 0.47 -0.28 0.47 0.00 -2.33 0.00 0.00 43.42 41.76 2rp3 n LEU 36 CO 0.59 -0.11 0.80 -1.13 -1.33 0.00 0.00 177.39 176.20 2rp3 h ASN 37 N 0.00 0.00 -0.10 -1.43 -0.00 -1.86 -0.89 115.58 111.30 2rp3 h ASN 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2rp3 h ASN 37 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 2rp3 h ASN 37 CO 0.00 0.26 0.00 -1.20 -0.00 0.00 0.00 177.43 176.49 2rp3 n SER 38 N -3.53 1.64 0.00 1.15 7.64 -1.09 -3.23 113.62 116.20 2rp3 n SER 38 Ca -0.01 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2rp3 n SER 38 Cb 0.41 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.29 0.02 -4.22 0.44 0.24 -0.50 -4.64 118.33 109.97 2rp3 n VAL 39 Ca 0.18 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.27 2rp3 n VAL 39 Cb 0.35 1.15 -0.15 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.02 0.54 0.06 1.34 -1.09 0.20 -2.11 121.20 120.11 2rp3 s ILE 40 Ca 0.00 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.28 2rp3 s ILE 40 Cb 0.00 -0.50 -0.03 0.00 -1.58 0.00 0.00 42.46 40.35 2rp3 s ILE 40 CO 0.00 0.18 -0.24 0.00 -1.23 0.00 0.00 174.94 173.65 2rp3 s ALA 41 N 0.26 2.05 -0.44 9.38 0.00 -0.58 -2.08 121.76 130.36 2rp3 s ALA 41 Ca -0.03 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 2rp3 s ALA 41 Cb -0.07 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2rp3 s ALA 41 CO -0.00 0.47 0.36 0.00 0.00 0.00 0.00 175.76 176.59 2rp3 s ALA 42 N -0.85 3.50 -0.30 0.00 0.00 -1.26 -2.37 121.76 120.48 2rp3 s ALA 42 Ca 0.10 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.24 2rp3 s ALA 42 Cb -0.10 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.12 2rp3 s ALA 42 CO 0.02 -1.59 0.03 0.54 0.00 0.00 0.00 175.76 174.77 2rp3 s VAL 43 N 1.76 1.65 -1.46 0.00 0.11 -0.90 -4.76 120.40 116.79 2rp3 s VAL 43 Ca 0.06 -1.75 -0.01 0.00 -2.93 0.00 0.00 61.98 57.35 2rp3 s VAL 43 Cb -0.21 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 2rp3 s VAL 43 CO 0.09 -0.48 0.11 -0.67 -3.33 0.00 0.00 175.10 170.83 2rp3 n ASP 44 N 4.55 -5.20 -0.43 3.54 -0.08 -1.26 -2.59 116.55 115.08 2rp3 n ASP 44 Ca -0.02 -0.07 -0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2rp3 n ASP 44 Cb 0.43 -4.23 0.00 0.00 2.34 0.00 0.00 41.12 39.66 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 -1.10 0.83 2.74 0.27 0.00 -1.18 -4.56 105.19 102.19 2rp3 n GLY 45 Ca -0.18 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 0.49 -0.30 1.61 0.01 -1.07 -4.66 113.70 106.78 2rp3 s SER 46 Ca 0.00 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.08 2rp3 s SER 46 Cb -0.00 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2rp3 s SER 46 CO 0.01 -0.17 0.79 -0.76 0.41 0.00 0.00 173.24 173.52 2rp3 s LEU 47 N 1.47 4.08 0.00 2.44 1.43 -1.26 -2.13 118.68 124.71 2rp3 s LEU 47 Ca -0.04 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2rp3 s LEU 47 Cb -0.13 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2rp3 s LEU 47 CO -0.03 -0.60 -0.24 -0.54 0.23 0.00 0.00 176.35 175.17 2rp3 s LYS 48 N 2.93 1.88 0.29 1.70 -0.14 -1.00 -4.89 119.74 120.52 2rp3 s LYS 48 Ca 0.33 -0.93 -0.05 0.00 -1.36 0.00 0.00 55.97 53.96 2rp3 s LYS 48 Cb -0.14 -1.89 0.07 0.00 -1.68 0.00 0.00 37.83 34.20 2rp3 s LYS 48 CO 0.12 0.51 0.22 0.91 -0.76 0.00 0.00 175.35 176.35 2rp3 n TRP 49 N 2.27 -2.86 -4.07 3.18 7.02 -1.26 -1.52 117.44 120.20 2rp3 n TRP 49 Ca -0.16 -0.20 -0.32 0.00 -1.02 0.00 0.00 57.50 55.80 2rp3 n TRP 49 Cb 0.52 -0.26 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 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 -2.50 -0.84 -3.64 -0.99 10.64 -0.90 -4.61 117.38 114.55 2rp3 n GLN 50 Ca 0.03 0.10 -0.14 0.00 -1.83 0.00 0.00 57.00 55.16 2rp3 n GLN 50 Cb 0.13 -3.56 -0.05 0.00 -0.86 0.00 0.00 30.24 25.90 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 -1.60 2.78 3.79 2.61 0.00 -1.13 -4.94 105.19 106.71 2rp3 n GLY 51 Ca -0.07 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.79 -0.02 -0.96 1.61 1.04 -0.88 0.62 113.70 112.32 2rp3 s SER 52 Ca 0.28 -1.00 -0.00 0.00 0.48 0.00 0.00 55.95 55.71 2rp3 s SER 52 Cb 0.01 0.79 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 2rp3 s SER 52 CO 0.20 -1.54 0.80 -3.20 0.98 0.00 0.00 173.24 170.48 2rp3 n ASN 53 N -1.07 -2.38 -0.06 7.02 4.05 -1.20 -4.27 115.26 117.34 2rp3 n ASN 53 Ca -0.06 -0.51 -0.07 0.00 0.45 0.00 0.00 54.58 54.39 2rp3 n ASN 53 Cb 0.60 -4.26 -0.08 0.00 1.23 0.00 0.00 39.78 37.28 2rp3 n ASN 53 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 2rp3 n PHE 54 N -3.48 0.00 -0.26 1.20 1.16 -1.24 -4.04 117.46 110.81 2rp3 n PHE 54 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.32 2rp3 n PHE 54 Cb 0.63 -0.53 0.13 0.00 -1.61 0.00 0.00 39.48 38.10 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 -0.69 1.97 6.09 -1.89 -1.27 117.51 122.96 2rp3 h ILE 55 Ca -0.30 -0.72 0.19 0.00 -1.37 0.00 0.00 64.86 62.67 2rp3 h ILE 55 Cb 1.58 0.29 -0.03 0.00 0.47 0.00 0.00 36.82 39.13 2rp3 h ILE 55 CO -0.01 0.30 0.49 -0.33 -3.07 0.00 0.00 178.15 175.53 2rp3 h GLU 56 N 1.09 0.08 -0.26 2.19 5.08 -1.98 0.17 114.58 120.95 2rp3 h GLU 56 Ca 0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2rp3 h GLU 56 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2rp3 h GLU 56 CO -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2rp3 n ALA 57 N -2.64 2.99 -2.35 3.43 0.00 -0.58 -5.02 120.51 116.34 2rp3 n ALA 57 Ca 0.14 -2.31 -0.18 0.00 0.00 0.00 0.00 53.44 51.08 2rp3 n ALA 57 Cb 0.71 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 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 1.48 -1.04 0.00 1.70 -0.53 -4.86 118.95 111.77 2rp3 s ARG 59 Ca 0.33 -0.81 -0.14 0.00 -0.47 0.00 0.00 55.73 54.65 2rp3 s ARG 59 Cb 0.07 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.95 2rp3 s ARG 59 CO 0.12 -0.68 0.79 0.09 -1.08 0.00 0.00 175.30 174.54 2rp3 n ASN 60 N -0.46 -5.86 -4.86 -2.89 3.02 -1.26 -2.14 115.26 100.82 2rp3 n ASN 60 Ca -0.05 -0.84 -0.37 0.00 -0.03 0.00 0.00 54.58 53.29 2rp3 n ASN 60 Cb 0.60 -3.80 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 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 -3.35 5.37 0.27 3.41 -4.23 -1.26 -4.15 115.64 111.69 2rp3 s THR 61 Ca 0.37 0.14 -0.20 0.00 -1.18 0.00 0.00 61.69 60.82 2rp3 s THR 61 Cb -0.11 -3.34 0.05 0.00 1.34 0.00 0.00 72.50 70.44 2rp3 s THR 61 CO 0.83 0.60 0.87 0.00 -0.54 0.00 0.00 174.62 176.38 2rp3 s GLN 62 N -1.05 1.71 -0.07 3.99 -2.07 -0.78 -3.83 119.66 117.55 2rp3 s GLN 62 Ca 0.15 -1.04 -0.19 0.00 -1.82 0.00 0.00 55.36 52.46 2rp3 s GLN 62 Cb -0.12 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 2rp3 s GLN 62 CO 0.04 -0.79 0.53 -1.17 -1.32 0.00 0.00 175.29 172.59 2rp3 s LEU 63 N -3.09 4.34 -0.05 2.60 2.96 -1.26 -2.12 118.68 122.06 2rp3 s LEU 63 Ca 0.15 0.97 0.04 0.00 -0.22 0.00 0.00 54.13 55.08 2rp3 s LEU 63 Cb -0.04 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 2rp3 s LEU 63 CO 0.07 0.04 -0.18 0.00 -1.32 0.00 0.00 176.35 174.96 2rp3 s ALA 64 N 0.28 1.62 0.00 5.97 0.00 -0.09 -4.84 121.76 124.70 2rp3 s ALA 64 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2rp3 s ALA 64 Cb -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2rp3 s ALA 64 CO 0.13 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2rp3 n GLY 65 N 3.18 1.06 0.00 0.00 0.00 -1.26 -2.19 105.19 105.99 2rp3 n GLY 65 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 2.25 0.00 -0.52 1.61 7.64 -1.26 -4.96 113.62 118.37 2rp3 n SER 66 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2rp3 n SER 66 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.09 -4.59 6.43 3.41 -1.24 -4.92 113.62 113.79 2rp3 n SER 67 Ca 0.00 -2.56 -0.28 0.00 -0.26 0.00 0.00 58.87 55.76 2rp3 n SER 67 Cb 0.00 -0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.28 2.17 -0.28 4.33 2.02 -0.93 0.52 118.70 125.24 2rp3 s GLU 68 Ca 0.20 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 2rp3 s GLU 68 Cb 0.19 -2.28 0.05 0.00 0.10 0.00 0.00 34.13 32.19 2rp3 s GLU 68 CO -0.02 0.48 -0.04 -1.17 0.02 0.00 0.00 175.26 174.53 2rp3 s LEU 69 N -2.50 3.70 -0.16 1.80 1.98 -0.28 -0.91 118.68 122.31 2rp3 s LEU 69 Ca 0.23 -1.28 -0.13 0.00 -2.89 0.00 0.00 54.13 50.06 2rp3 s LEU 69 Cb -0.10 -1.66 -0.05 0.00 0.66 0.00 0.00 46.19 45.05 2rp3 s LEU 69 CO 0.15 -0.23 0.27 0.00 -1.89 0.00 0.00 176.35 174.66 2rp3 s ALA 70 N 1.21 3.62 0.29 5.97 0.00 -0.90 -2.80 121.76 129.14 2rp3 s ALA 70 Ca -0.06 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 2rp3 s ALA 70 Cb -0.20 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.61 2rp3 s ALA 70 CO -0.03 0.13 0.79 0.00 0.00 0.00 0.00 175.76 176.65 2rp3 s ALA 71 N 0.35 -1.14 -0.14 0.00 0.00 -0.60 -1.87 121.76 118.35 2rp3 s ALA 71 Ca 0.16 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2rp3 s ALA 71 Cb -0.13 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2rp3 s ALA 71 CO 0.04 -1.03 -0.18 -1.21 0.00 0.00 0.00 175.76 173.38 2rp3 s GLU 72 N -3.26 2.60 0.07 0.00 2.02 -0.91 -0.50 118.70 118.73 2rp3 s GLU 72 Ca 0.13 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 54.52 2rp3 s GLU 72 Cb -0.05 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2rp3 s GLU 72 CO 0.08 -0.14 -0.22 0.00 0.02 0.00 0.00 175.26 175.00 2rp3 s LYS 74 N -1.65 4.41 0.93 0.00 2.20 0.05 -1.92 119.74 123.76 2rp3 s LYS 74 Ca 0.14 1.79 -0.14 0.00 -0.36 0.00 0.00 55.97 57.40 2rp3 s LYS 74 Cb -0.10 -3.36 0.16 0.00 -1.51 0.00 0.00 37.83 33.01 2rp3 s LYS 74 CO 0.06 -0.29 1.20 0.95 -0.36 0.00 0.00 175.35 176.91 2rp3 s THR 75 N 1.20 1.95 0.54 3.43 -4.23 0.11 -3.08 115.64 115.56 2rp3 s THR 75 Ca 0.59 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.33 2rp3 s THR 75 Cb -0.30 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 70.98 2rp3 s THR 75 CO 0.29 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.55 2rp3 h ALA 76 N -1.55 1.74 0.00 3.99 0.00 -1.88 0.12 119.26 121.67 2rp3 h ALA 76 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2rp3 h ALA 76 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2rp3 h ALA 76 CO 0.52 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 2rp3 h ALA 77 N 1.99 0.95 0.00 0.00 0.00 -1.96 -3.47 119.26 116.76 2rp3 h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rp3 h ALA 77 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 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 1.19 1.76 3.11 0.00 0.00 0.03 -5.11 105.19 106.17 2rp3 n GLY 78 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 2.21 -0.24 1.61 -0.21 -1.25 -4.80 119.66 116.27 2rp3 s GLN 79 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.36 54.48 2rp3 s GLN 79 Cb 0.00 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.26 2rp3 s GLN 79 CO 0.00 0.11 1.20 -0.06 -2.12 0.00 0.00 175.29 174.42 2rp3 s PHE 80 N 0.48 2.94 0.57 0.91 0.08 -1.26 0.05 117.98 121.75 2rp3 s PHE 80 Ca -0.15 1.09 0.06 0.00 0.12 0.00 0.00 56.93 58.05 2rp3 s PHE 80 Cb -0.16 -3.61 0.06 0.00 -0.57 0.00 0.00 43.02 38.74 2rp3 s PHE 80 CO 0.06 -1.32 0.51 0.14 -0.10 0.00 0.00 175.22 174.50 2rp3 s VAL 81 N 3.72 1.64 -0.35 -0.44 -7.23 -0.81 -4.89 120.40 112.03 2rp3 s VAL 81 Ca 0.52 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 2rp3 s VAL 81 Cb -0.17 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2rp3 s VAL 81 CO 0.15 0.00 0.39 -0.94 -0.31 0.00 0.00 175.10 174.40 2rp3 s SER 82 N -4.40 6.20 0.03 4.85 1.04 -1.26 -3.02 113.70 117.14 2rp3 s SER 82 Ca 0.39 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.64 2rp3 s SER 82 Cb -0.03 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2rp3 s SER 82 CO 0.25 -0.38 -0.17 0.42 0.98 0.00 0.00 173.24 174.34 2rp3 s THR 83 N 2.08 2.87 0.04 2.02 -4.23 0.35 -5.00 115.64 113.76 2rp3 s THR 83 Ca 0.13 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2rp3 s THR 83 Cb -0.16 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2rp3 s THR 83 CO 0.12 0.38 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.94 2rp3 s LYS 84 N -1.33 0.45 -0.26 3.99 0.00 -1.26 -1.55 119.74 119.78 2rp3 s LYS 84 Ca 0.14 -0.80 -0.22 0.00 0.00 0.00 0.00 55.97 55.09 2rp3 s LYS 84 Cb -0.11 -0.00 0.07 0.00 0.00 0.00 0.00 37.83 37.79 2rp3 s LYS 84 CO 0.05 -0.03 0.68 -1.50 0.00 0.00 0.00 175.35 174.54 2rp3 s ILE 85 N -2.00 -0.00 -0.29 3.79 2.07 -1.12 -4.77 121.20 118.88 2rp3 s ILE 85 Ca -0.09 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.87 2rp3 s ILE 85 Cb -0.06 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.59 2rp3 s ILE 85 CO -0.02 0.00 1.16 0.21 -1.91 0.00 0.00 174.94 174.37 2rp3 s ASN 86 N 0.65 6.87 0.35 4.50 3.04 -1.26 -1.12 114.94 127.96 2rp3 s ASN 86 Ca -0.02 1.19 0.09 0.00 0.04 0.00 0.00 52.86 54.15 2rp3 s ASN 86 Cb -0.05 -2.54 0.64 0.00 -1.54 0.00 0.00 41.25 37.76 2rp3 s ASN 86 CO -0.04 -0.91 1.82 -0.07 -3.04 0.00 0.00 177.10 174.86 2rp3 h LEU 87 N 10.22 0.21 -1.19 3.21 3.38 -0.26 -2.17 115.31 128.72 2rp3 h LEU 87 Ca -0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2rp3 h LEU 87 Cb 1.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2rp3 h LEU 87 CO 1.02 0.49 0.00 -2.24 0.09 0.00 0.00 178.44 177.80 2rp3 h ASP 88 N 0.20 0.00 -0.44 -0.43 3.04 -1.79 -0.76 116.42 116.23 2rp3 h ASP 88 Ca 0.03 0.00 0.06 0.00 -3.24 0.00 0.00 57.03 53.88 2rp3 h ASP 88 Cb 0.59 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.82 2rp3 h ASP 88 CO 0.04 0.00 0.15 -0.78 -2.04 0.00 0.00 179.24 176.61 2rp3 h ASP 89 N 0.00 0.14 0.00 4.15 3.58 -1.72 0.17 116.42 122.74 2rp3 h ASP 89 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2rp3 h ASP 89 Cb 0.20 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2rp3 h ASP 89 CO 0.00 0.11 -0.64 1.41 -2.88 0.00 0.00 179.24 177.25 2rp3 n HIS 90 N -5.02 0.00 -1.75 0.28 8.25 -1.17 -4.49 115.22 111.31 2rp3 n HIS 90 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 2rp3 n HIS 90 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.64 2.55 0.26 1.59 -1.09 -0.30 -1.69 121.20 120.88 2rp3 s ILE 91 Ca 0.00 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 2rp3 s ILE 91 Cb 0.00 -3.07 -0.06 0.00 -1.58 0.00 0.00 42.46 37.75 2rp3 s ILE 91 CO 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 174.94 173.69 2rp3 s ALA 92 N 2.52 2.10 -0.27 9.38 0.00 0.21 -1.98 121.76 133.72 2rp3 s ALA 92 Ca 0.79 -1.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2rp3 s ALA 92 Cb -0.46 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2rp3 s ALA 92 CO 0.35 -0.18 0.17 1.21 0.00 0.00 0.00 175.76 177.32 2rp3 s ASN 93 N -3.38 5.88 -0.36 0.00 2.47 -1.26 -1.93 114.94 116.36 2rp3 s ASN 93 Ca 0.30 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.55 2rp3 s ASN 93 Cb 0.05 -2.09 0.10 0.00 -1.45 0.00 0.00 41.25 37.86 2rp3 s ASN 93 CO 0.11 -0.05 0.09 -0.63 -3.72 0.00 0.00 177.10 172.90 2rp3 s ILE 94 N 1.73 2.64 -1.61 -5.21 -1.09 0.97 -4.66 121.20 113.97 2rp3 s ILE 94 Ca 0.07 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.33 2rp3 s ILE 94 Cb -0.16 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2rp3 s ILE 94 CO 0.10 -0.57 0.00 -0.67 -1.23 0.00 0.00 174.94 172.57 2rp3 n ASP 95 N 4.39 -5.27 0.00 3.58 -0.08 -1.26 -1.56 116.55 116.35 2rp3 n ASP 95 Ca -0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2rp3 n ASP 95 Cb 0.42 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.54 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 -0.98 0.68 3.46 0.27 0.00 -1.22 -3.96 105.19 103.44 2rp3 n GLY 96 Ca -0.21 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.11 2.61 -4.23 -0.60 -4.17 115.64 109.88 2rp3 s THR 97 Ca 0.00 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 2rp3 s THR 97 Cb 0.00 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2rp3 s THR 97 CO 0.00 0.23 0.79 -0.76 -0.54 0.00 0.00 174.62 174.33 2rp3 s LEU 98 N -1.75 4.25 0.08 4.79 1.43 -1.26 -0.02 118.68 126.19 2rp3 s LEU 98 Ca 0.16 1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 54.39 2rp3 s LEU 98 Cb -0.10 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2rp3 s LEU 98 CO 0.07 -0.26 0.19 -0.54 0.23 0.00 0.00 176.35 176.04 2rp3 s LYS 99 N 1.47 0.81 -0.06 1.70 1.02 -0.81 -4.66 119.74 119.21 2rp3 s LYS 99 Ca 0.39 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 2rp3 s LYS 99 Cb -0.17 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 2rp3 s LYS 99 CO 0.16 -0.25 0.37 -0.47 -0.92 0.00 0.00 175.35 174.24 2rp3 s TYR 100 N -3.52 3.64 0.00 3.18 5.04 -1.26 -0.62 117.35 123.81 2rp3 s TYR 100 Ca 0.02 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 2rp3 s TYR 100 Cb 0.03 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2rp3 s TYR 100 CO -0.09 0.51 0.40 0.39 -1.34 0.00 0.00 175.55 175.42