#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7m n ILE 2 N 0.00 0.10 0.32 1.12 5.41 -1.26 -4.82 119.36 120.23 2p7m n ILE 2 Ca 0.00 -0.08 0.13 0.00 1.00 0.00 0.00 62.75 63.80 2p7m n ILE 2 Cb 0.00 -0.94 0.33 0.00 -0.71 0.00 0.00 39.64 38.32 2p7m n ILE 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2p7m h SER 3 N 9.26 0.00 -0.11 4.38 4.64 -2.11 -3.49 113.55 126.12 2p7m h SER 3 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2p7m h SER 3 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2p7m h SER 3 CO 1.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 2p7m n GLY 4 N 0.87 -0.26 3.72 -0.77 0.00 -1.26 -5.11 105.19 102.38 2p7m n GLY 4 Ca 0.04 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2p7m n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p7m s LEU 5 N 0.00 4.44 -0.17 0.99 2.96 -1.26 -4.97 118.68 120.66 2p7m s LEU 5 Ca 0.00 1.69 -0.14 0.00 -0.22 0.00 0.00 54.13 55.46 2p7m s LEU 5 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 2p7m s LEU 5 CO 0.00 -0.14 -0.10 -0.24 -1.32 0.00 0.00 176.35 174.55 2p7m n SER 6 N 3.26 1.85 -3.63 3.68 2.88 -1.26 -5.02 113.62 115.39 2p7m n SER 6 Ca 0.03 0.53 -0.02 0.00 -1.33 0.00 0.00 58.87 58.08 2p7m n SER 6 Cb 0.50 -0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2p7m n SER 6 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2p7m s HIS 7 N -2.37 -0.05 -0.08 0.66 -3.43 -1.26 -4.46 115.29 104.30 2p7m s HIS 7 Ca -0.22 -0.22 0.03 0.00 -0.80 0.00 0.00 55.06 53.85 2p7m s HIS 7 Cb 0.04 0.63 0.01 0.00 -1.43 0.00 0.00 32.58 31.83 2p7m s HIS 7 CO 0.36 -0.70 -0.18 0.42 -2.00 0.00 0.00 174.74 172.64 2p7m s ILE 8 N -2.74 1.61 -0.15 -5.38 1.01 -0.57 -5.01 121.20 109.96 2p7m s ILE 8 Ca 0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2p7m s ILE 8 Cb -0.00 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 2p7m s ILE 8 CO 0.01 0.46 -0.07 -0.89 0.00 0.00 0.00 174.94 174.46 2p7m s THR 9 N 0.50 3.58 0.02 2.92 2.01 -1.26 -0.21 115.64 123.20 2p7m s THR 9 Ca -0.17 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.44 2p7m s THR 9 Cb -0.17 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 2p7m s THR 9 CO 0.06 0.50 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.52 2p7m s LEU 10 N 0.44 2.11 -0.18 4.42 1.43 0.10 -4.98 118.68 122.02 2p7m s LEU 10 Ca -0.06 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2p7m s LEU 10 Cb -0.15 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2p7m s LEU 10 CO 0.04 0.21 0.02 -0.63 0.23 0.00 0.00 176.35 176.21 2p7m s ILE 11 N -0.67 4.33 0.06 -0.59 -1.09 -1.26 -1.17 121.20 120.81 2p7m s ILE 11 Ca 0.08 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.33 2p7m s ILE 11 Cb -0.09 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 2p7m s ILE 11 CO 0.01 0.46 -0.08 0.68 -1.23 0.00 0.00 174.94 174.77 2p7m s VAL 12 N 0.54 0.67 0.08 2.92 -7.23 -0.17 -4.70 120.40 112.51 2p7m s VAL 12 Ca 0.00 -1.33 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2p7m s VAL 12 Cb -0.14 -0.95 -0.22 0.00 0.56 0.00 0.00 36.38 35.64 2p7m s VAL 12 CO 0.02 -0.48 1.21 0.50 -0.31 0.00 0.00 175.10 176.03 2p7m h LYS 13 N 4.07 0.72 -4.63 4.82 1.63 -1.80 0.47 116.57 121.86 2p7m h LYS 13 Ca -0.36 -0.74 -0.65 0.00 -0.85 0.00 0.00 60.65 58.04 2p7m h LYS 13 Cb 1.19 0.20 -0.40 0.00 -0.60 0.00 0.00 32.23 32.63 2p7m h LYS 13 CO 0.47 1.32 -0.73 0.34 -3.45 0.00 0.00 179.45 177.39 2p7m s ASP 14 N -7.26 4.67 0.26 4.20 -1.08 -1.26 -4.61 116.67 111.60 2p7m s ASP 14 Ca -0.10 -2.03 -0.04 0.00 -0.52 0.00 0.00 52.55 49.87 2p7m s ASP 14 Cb 0.07 -1.56 0.33 0.00 -1.46 0.00 0.00 42.92 40.30 2p7m s ASP 14 CO 0.92 -0.36 1.84 0.25 0.52 0.00 0.00 175.17 178.34 2p7m h LEU 15 N 7.67 0.93 -0.71 -1.34 5.85 -1.95 -1.19 115.31 124.56 2p7m h LEU 15 Ca -0.06 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 2p7m h LEU 15 Cb 1.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2p7m h LEU 15 CO 0.51 0.82 -0.17 0.78 -0.34 0.00 0.00 178.44 180.03 2p7m h ASN 16 N 1.00 0.81 -0.29 1.25 2.35 -1.99 -0.49 115.58 118.22 2p7m h ASN 16 Ca 0.24 -0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 2p7m h ASN 16 Cb 0.17 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2p7m h ASN 16 CO -0.02 0.98 -0.45 0.11 -1.65 0.00 0.00 177.43 176.40 2p7m h LYS 17 N 0.71 0.86 -0.48 0.81 1.57 -1.92 -2.83 116.57 115.29 2p7m h LYS 17 Ca 0.11 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 2p7m h LYS 17 Cb 0.68 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2p7m h LYS 17 CO 0.05 1.12 -0.13 1.15 -0.57 0.00 0.00 179.45 181.07 2p7m h THR 18 N 0.68 1.27 -0.90 -0.16 2.02 -1.11 -2.44 112.91 112.28 2p7m h THR 18 Ca 0.04 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 66.02 2p7m h THR 18 Cb 1.04 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.47 2p7m h THR 18 CO 0.10 0.44 0.56 0.74 0.37 0.00 0.00 175.52 177.73 2p7m h THR 19 N 0.79 1.03 -0.58 3.16 2.02 -1.05 0.12 112.91 118.40 2p7m h THR 19 Ca 0.12 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2p7m h THR 19 Cb 0.69 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2p7m h THR 19 CO 0.05 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.25 2p7m h ALA 20 N 1.43 0.77 -0.27 6.16 0.00 -1.30 -0.52 119.26 125.53 2p7m h ALA 20 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2p7m h ALA 20 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2p7m h ALA 20 CO -0.19 0.48 0.17 0.35 0.00 0.00 0.00 179.25 180.06 2p7m h PHE 21 N 0.84 0.34 -0.36 0.00 3.57 -0.80 -0.22 116.94 120.30 2p7m h PHE 21 Ca 0.18 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2p7m h PHE 21 Cb 0.37 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2p7m h PHE 21 CO 0.03 0.23 0.07 -0.07 -2.23 0.00 0.00 178.31 176.34 2p7m h LEU 22 N 0.35 0.56 -0.48 0.59 3.38 -0.54 -1.87 115.31 117.30 2p7m h LEU 22 Ca 0.10 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2p7m h LEU 22 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2p7m h LEU 22 CO -0.02 0.66 0.07 1.56 0.09 0.00 0.00 178.44 180.80 2p7m h GLN 23 N 0.44 0.80 -0.20 1.13 4.20 -0.99 -1.52 115.11 118.97 2p7m h GLN 23 Ca 0.11 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2p7m h GLN 23 Cb 0.33 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2p7m h GLN 23 CO 0.00 0.81 -0.03 -0.91 -0.67 0.00 0.00 178.83 178.04 2p7m h ASN 24 N 0.67 0.38 0.10 1.46 2.35 -0.96 -2.59 115.58 116.99 2p7m h ASN 24 Ca 0.15 -0.34 -0.31 0.00 -0.55 0.00 0.00 56.30 55.24 2p7m h ASN 24 Cb 0.41 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2p7m h ASN 24 CO 0.01 0.63 -1.65 0.40 -1.65 0.00 0.00 177.43 175.17 2p7m h ILE 25 N 0.12 0.82 -0.18 2.81 1.08 -1.40 -3.40 117.51 117.36 2p7m h ILE 25 Ca 0.05 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 2p7m h ILE 25 Cb 0.46 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2p7m h ILE 25 CO 0.02 0.71 0.00 0.49 -0.69 0.00 0.00 178.15 178.67 2p7m n PHE 26 N -3.83 0.21 -3.07 1.37 3.01 -0.61 -4.94 117.46 109.59 2p7m n PHE 26 Ca -0.30 -0.11 -0.23 0.00 1.01 0.00 0.00 57.45 57.83 2p7m n PHE 26 Cb 0.92 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.42 2p7m n PHE 26 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2p7m n ASN 27 N 1.34 -5.76 -4.75 4.37 3.02 -0.97 -4.79 115.26 107.71 2p7m n ASN 27 Ca 0.16 -0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 2p7m n ASN 27 Cb 0.58 -4.67 -0.02 0.00 -0.61 0.00 0.00 39.78 35.06 2p7m n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p7m s ALA 28 N -3.14 3.64 -0.32 5.41 0.00 -0.98 -4.90 121.76 121.48 2p7m s ALA 28 Ca 0.32 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.59 2p7m s ALA 28 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2p7m s ALA 28 CO 0.39 -0.82 0.14 -1.21 0.00 0.00 0.00 175.76 174.26 2p7m s GLU 29 N -0.65 3.16 0.00 0.00 0.41 -0.77 -4.42 118.70 116.43 2p7m s GLU 29 Ca 0.59 -0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 2p7m s GLU 29 Cb -0.44 -3.53 -0.05 0.00 -1.78 0.00 0.00 34.13 28.33 2p7m s GLU 29 CO 0.47 -0.48 1.26 -2.00 -0.49 0.00 0.00 175.26 174.02 2p7m s GLU 30 N 1.56 4.36 0.00 1.61 2.12 -1.26 -0.80 118.70 126.29 2p7m s GLU 30 Ca 0.03 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.16 2p7m s GLU 30 Cb -0.18 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2p7m s GLU 30 CO 0.05 -0.42 0.24 0.44 -0.54 0.00 0.00 175.26 175.03 2p7m n ILE 31 N 4.38 0.00 -3.58 -3.70 -5.35 -0.52 -4.97 119.36 105.62 2p7m n ILE 31 Ca 0.11 -0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 62.04 2p7m n ILE 31 Cb 0.45 1.11 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 2p7m n ILE 31 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2p7m s TYR 32 N -0.33 -0.67 -0.16 4.28 5.04 -1.19 -4.95 117.35 119.37 2p7m s TYR 32 Ca 0.00 1.42 -0.12 0.00 -2.44 0.00 0.00 57.07 55.93 2p7m s TYR 32 Cb 0.00 0.35 0.05 0.00 0.35 0.00 0.00 41.96 42.71 2p7m s TYR 32 CO 0.00 -0.45 0.41 0.45 -1.34 0.00 0.00 175.55 174.62 2p7m s SER 33 N -0.37 -0.47 0.17 4.32 0.15 -1.26 -1.17 113.70 115.07 2p7m s SER 33 Ca -0.04 0.86 -0.09 0.00 0.70 0.00 0.00 55.95 57.38 2p7m s SER 33 Cb -0.03 0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 65.07 2p7m s SER 33 CO 0.04 -0.17 0.28 -0.94 1.20 0.00 0.00 173.24 173.65 2p7m s SER 34 N 0.84 0.04 0.00 5.45 1.04 0.05 -5.01 113.70 116.11 2p7m s SER 34 Ca -0.05 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2p7m s SER 34 Cb -0.06 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2p7m s SER 34 CO -0.06 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2p7m n GLY 35 N -0.22 4.57 2.98 7.32 0.00 -1.26 -1.20 105.19 117.38 2p7m n GLY 35 Ca -0.07 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 2p7m n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p7m s ASP 36 N 0.00 -0.20 0.53 1.61 2.15 0.18 -4.93 116.67 116.01 2p7m s ASP 36 Ca 0.00 -0.42 0.19 0.00 0.43 0.00 0.00 52.55 52.76 2p7m s ASP 36 Cb 0.00 1.35 1.35 0.00 -0.30 0.00 0.00 42.92 45.32 2p7m s ASP 36 CO 0.00 -0.31 2.13 0.07 -0.17 0.00 0.00 175.17 176.88 2p7m h LYS 37 N 7.89 0.00 0.00 4.34 2.10 -1.96 0.77 116.57 129.72 2p7m h LYS 37 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2p7m h LYS 37 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2p7m h LYS 37 CO 0.21 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.91 2p7m n THR 38 N -4.43 0.74 -1.00 0.07 -2.24 -1.26 -2.19 114.28 103.96 2p7m n THR 38 Ca -0.01 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 2p7m n THR 38 Cb 0.19 -0.96 0.23 0.00 -2.10 0.00 0.00 70.33 67.69 2p7m n THR 38 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2p7m n PHE 39 N -2.28 0.68 -4.13 4.78 7.35 0.15 -4.97 117.46 119.04 2p7m n PHE 39 Ca 0.03 -0.91 -0.31 0.00 -0.76 0.00 0.00 57.45 55.51 2p7m n PHE 39 Cb 0.31 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.83 2p7m n PHE 39 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2p7m n SER 40 N -0.75 -1.10 -4.03 -2.13 7.64 -0.93 -4.94 113.62 107.38 2p7m n SER 40 Ca 0.20 -1.07 -0.31 0.00 1.01 0.00 0.00 58.87 58.69 2p7m n SER 40 Cb 0.82 -2.63 -0.15 0.00 -1.01 0.00 0.00 64.21 61.24 2p7m n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p7m s LEU 41 N -7.15 3.26 0.70 -3.43 1.43 -0.53 -5.01 118.68 107.94 2p7m s LEU 41 Ca 0.28 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 2p7m s LEU 41 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2p7m s LEU 41 CO 0.93 -0.22 1.27 -0.94 0.23 0.00 0.00 176.35 177.62 2p7m s SER 42 N 1.18 4.27 0.40 2.29 1.04 -1.26 -0.64 113.70 120.98 2p7m s SER 42 Ca -0.07 2.54 -0.26 0.00 0.48 0.00 0.00 55.95 58.65 2p7m s SER 42 Cb -0.20 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.23 2p7m s SER 42 CO -0.06 -2.22 1.21 -0.54 0.98 0.00 0.00 173.24 172.61 2p7m s LYS 43 N -3.63 4.03 -0.12 4.02 1.02 -1.26 -4.30 119.74 119.51 2p7m s LYS 43 Ca 0.80 1.95 -0.15 0.00 0.02 0.00 0.00 55.97 58.59 2p7m s LYS 43 Cb -0.35 -2.71 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2p7m s LYS 43 CO 0.43 -0.37 0.39 -2.00 -0.92 0.00 0.00 175.35 172.88 2p7m s GLU 44 N -2.26 0.53 0.04 1.68 2.12 -0.34 -1.83 118.70 118.63 2p7m s GLU 44 Ca 0.57 0.38 0.01 0.00 0.36 0.00 0.00 54.97 56.28 2p7m s GLU 44 Cb -0.33 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2p7m s GLU 44 CO 0.42 -0.09 -0.05 0.15 -0.54 0.00 0.00 175.26 175.15 2p7m s LYS 45 N -0.18 0.45 -0.05 4.30 1.02 0.06 -0.77 119.74 124.57 2p7m s LYS 45 Ca -0.03 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.21 2p7m s LYS 45 Cb -0.03 -0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 2p7m s LYS 45 CO 0.02 -0.03 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.17 2p7m s PHE 46 N -1.98 2.59 0.12 3.18 2.99 -0.31 -0.47 117.98 124.10 2p7m s PHE 46 Ca -0.09 -0.31 0.04 0.00 0.00 0.00 0.00 56.93 56.57 2p7m s PHE 46 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 43.02 41.31 2p7m s PHE 46 CO -0.02 0.07 -0.11 -0.06 -0.00 0.00 0.00 175.22 175.10 2p7m s PHE 47 N -0.58 1.17 -0.18 0.36 0.40 0.15 -1.44 117.98 117.87 2p7m s PHE 47 Ca 0.08 -0.68 -0.00 0.00 -0.60 0.00 0.00 56.93 55.73 2p7m s PHE 47 Cb -0.11 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 42.80 2p7m s PHE 47 CO 0.01 0.04 -0.15 -0.51 0.70 0.00 0.00 175.22 175.31 2p7m s LEU 48 N -2.70 2.43 -0.21 -0.37 1.43 0.02 -0.92 118.68 118.36 2p7m s LEU 48 Ca 0.10 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2p7m s LEU 48 Cb -0.01 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.69 2p7m s LEU 48 CO 0.00 0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 175.91 2p7m s ILE 49 N 1.14 1.48 -1.43 -0.59 1.01 -0.56 -1.85 121.20 120.39 2p7m s ILE 49 Ca 0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 2p7m s ILE 49 Cb -0.14 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.69 2p7m s ILE 49 CO -0.06 0.05 0.47 0.00 0.00 0.00 0.00 174.94 175.40 2p7m n ALA 50 N 4.72 -1.94 -0.87 9.38 0.00 -1.26 -0.47 120.51 130.07 2p7m n ALA 50 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2p7m n ALA 50 Cb 0.46 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2p7m n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p7m n GLY 51 N -1.92 0.54 3.78 0.00 0.00 -1.26 -5.00 105.19 101.34 2p7m n GLY 51 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2p7m n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p7m s LEU 52 N 0.00 4.29 -0.39 0.99 1.43 0.37 -5.05 118.68 120.33 2p7m s LEU 52 Ca 0.00 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 2p7m s LEU 52 Cb 0.00 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2p7m s LEU 52 CO 0.00 0.24 1.05 0.86 0.23 0.00 0.00 176.35 178.73 2p7m s TRP 53 N -0.14 3.02 -0.21 0.29 -0.00 -1.26 -1.50 118.94 119.12 2p7m s TRP 53 Ca 0.13 0.89 -0.03 0.00 -0.00 0.00 0.00 56.10 57.09 2p7m s TRP 53 Cb -0.12 -3.92 -0.00 0.00 -0.00 0.00 0.00 33.47 29.42 2p7m s TRP 53 CO 0.02 -0.95 -0.07 0.42 -0.00 0.00 0.00 176.95 176.37 2p7m s ILE 54 N 3.85 3.14 -0.18 5.86 -1.09 -0.09 -1.52 121.20 131.18 2p7m s ILE 54 Ca 0.44 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 58.20 2p7m s ILE 54 Cb -0.10 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2p7m s ILE 54 CO 0.22 0.44 0.09 0.00 -1.23 0.00 0.00 174.94 174.47 2p7m s ILE 56 N 0.22 2.00 -0.01 0.00 -1.09 0.37 -0.72 121.20 121.98 2p7m s ILE 56 Ca 0.06 -1.01 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 2p7m s ILE 56 Cb -0.12 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 2p7m s ILE 56 CO -0.00 0.55 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.05 2p7m s MET 57 N 0.14 1.31 0.05 2.79 -1.94 -0.32 -0.76 119.30 120.57 2p7m s MET 57 Ca -0.12 -0.60 -0.28 0.00 -1.71 0.00 0.00 55.69 52.97 2p7m s MET 57 Cb -0.16 -1.27 -0.05 0.00 2.01 0.00 0.00 34.83 35.36 2p7m s MET 57 CO 0.06 0.35 0.90 -2.00 -0.01 0.00 0.00 175.02 174.32 2p7m s GLU 58 N -0.44 4.59 0.00 2.03 2.12 -0.76 -1.00 118.70 125.24 2p7m s GLU 58 Ca 0.06 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.69 2p7m s GLU 58 Cb -0.06 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2p7m s GLU 58 CO -0.00 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 2p7m n GLY 59 N 2.53 1.33 3.78 -1.50 0.00 0.16 -4.79 105.19 106.71 2p7m n GLY 59 Ca 0.02 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2p7m n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p7m s ASP 60 N 2.00 7.29 0.80 1.61 -0.00 -1.26 -2.78 116.67 124.32 2p7m s ASP 60 Ca 0.00 1.84 -0.11 0.00 -0.00 0.00 0.00 52.55 54.28 2p7m s ASP 60 Cb 0.00 -2.58 0.07 0.00 -0.00 0.00 0.00 42.92 40.41 2p7m s ASP 60 CO 0.00 -0.10 1.10 -0.44 -0.00 0.00 0.00 175.17 175.72 2p7m s SER 61 N -1.64 4.49 0.32 0.27 0.01 -1.26 -4.52 113.70 111.37 2p7m s SER 61 Ca 0.51 1.32 -0.29 0.00 1.31 0.00 0.00 55.95 58.80 2p7m s SER 61 Cb -0.18 -2.05 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 2p7m s SER 61 CO 0.23 -1.97 1.29 -0.76 0.41 0.00 0.00 173.24 172.44 2p7m s LEU 62 N -5.78 4.44 0.24 2.44 1.43 -0.62 -4.93 118.68 115.91 2p7m s LEU 62 Ca 0.61 2.64 -0.02 0.00 -1.03 0.00 0.00 54.13 56.32 2p7m s LEU 62 Cb -0.14 -3.65 0.28 0.00 0.03 0.00 0.00 46.19 42.71 2p7m s LEU 62 CO 0.54 -0.49 1.70 1.56 0.23 0.00 0.00 176.35 179.89 2p7m h GLN 63 N 3.51 0.75 -4.44 1.70 4.20 -1.93 -3.43 115.11 115.47 2p7m h GLN 63 Ca -0.49 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 57.80 2p7m h GLN 63 Cb 1.22 -0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.79 2p7m h GLN 63 CO 0.66 0.84 -0.68 -1.21 -0.67 0.00 0.00 178.83 177.78 2p7m s GLU 64 N -4.78 0.78 -0.04 1.46 0.41 -1.26 -5.12 118.70 110.16 2p7m s GLU 64 Ca -0.09 -1.33 -0.17 0.00 -0.41 0.00 0.00 54.97 52.98 2p7m s GLU 64 Cb 0.14 0.07 -0.05 0.00 -1.78 0.00 0.00 34.13 32.50 2p7m s GLU 64 CO 0.82 -0.12 0.46 1.03 -0.49 0.00 0.00 175.26 176.95 2p7m s ARG 65 N -3.93 4.13 0.29 1.61 0.52 -1.26 -4.99 118.95 115.33 2p7m s ARG 65 Ca 0.14 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.84 2p7m s ARG 65 Cb 0.07 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 2p7m s ARG 65 CO -0.05 0.47 0.09 0.95 0.02 0.00 0.00 175.30 176.78 2p7m s THR 66 N -0.40 0.78 -2.16 0.02 -4.23 -1.26 -5.04 115.64 103.34 2p7m s THR 66 Ca 0.25 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.02 2p7m s THR 66 Cb -0.16 -2.67 0.65 0.00 1.34 0.00 0.00 72.50 71.66 2p7m s THR 66 CO 0.13 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.08 2p7m n TYR 67 N -0.58 0.04 -2.18 3.99 9.36 -1.26 -4.72 117.16 121.81 2p7m n TYR 67 Ca -0.01 -0.02 -0.42 0.00 3.32 0.00 0.00 57.90 60.78 2p7m n TYR 67 Cb 0.66 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.34 2p7m n TYR 67 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2p7m s ASN 68 N -1.81 6.84 0.09 2.98 0.01 -1.26 -4.97 114.94 116.82 2p7m s ASN 68 Ca 0.38 2.40 -0.27 0.00 -0.71 0.00 0.00 52.86 54.66 2p7m s ASN 68 Cb 0.19 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.32 2p7m s ASN 68 CO 0.30 -0.60 0.98 -1.38 -1.51 0.00 0.00 177.10 174.90 2p7m s HIS 69 N 0.49 -0.17 -0.10 2.20 -3.43 -1.26 -4.46 115.29 108.56 2p7m s HIS 69 Ca 0.60 -0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.76 2p7m s HIS 69 Cb -0.37 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 2p7m s HIS 69 CO 0.36 -0.69 0.05 0.42 -2.00 0.00 0.00 174.74 172.88 2p7m s ILE 70 N -3.14 4.72 -0.15 -5.38 1.01 -1.23 -5.00 121.20 112.04 2p7m s ILE 70 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2p7m s ILE 70 Cb -0.01 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2p7m s ILE 70 CO -0.01 0.61 -0.16 0.00 0.00 0.00 0.00 174.94 175.37 2p7m s ALA 71 N -0.89 1.97 0.14 9.38 0.00 -1.26 -1.14 121.76 129.96 2p7m s ALA 71 Ca 0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2p7m s ALA 71 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2p7m s ALA 71 CO 0.03 -0.28 0.31 -0.06 0.00 0.00 0.00 175.76 175.75 2p7m s PHE 72 N 1.29 3.49 -0.08 0.00 0.40 0.39 -4.90 117.98 118.58 2p7m s PHE 72 Ca 0.02 0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 2p7m s PHE 72 Cb -0.13 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 2p7m s PHE 72 CO -0.09 0.48 0.27 -1.14 0.70 0.00 0.00 175.22 175.45 2p7m s GLN 73 N -3.01 3.77 0.34 0.44 0.74 -1.26 -0.09 119.66 120.58 2p7m s GLN 73 Ca 0.37 0.12 0.06 0.00 0.05 0.00 0.00 55.36 55.96 2p7m s GLN 73 Cb -0.12 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 2p7m s GLN 73 CO 0.28 0.66 0.23 0.96 -0.55 0.00 0.00 175.29 176.87 2p7m s ILE 74 N -0.82 0.14 0.27 -2.34 -4.36 -0.52 -4.90 121.20 108.67 2p7m s ILE 74 Ca 0.19 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.47 2p7m s ILE 74 Cb -0.14 -2.46 -0.07 0.00 1.25 0.00 0.00 42.46 41.04 2p7m s ILE 74 CO 0.08 0.00 0.61 -1.10 0.24 0.00 0.00 174.94 174.77 2p7m s GLN 75 N -3.56 3.82 0.30 0.37 -1.52 -1.26 -3.51 119.66 114.30 2p7m s GLN 75 Ca 0.37 0.35 -0.01 0.00 -1.95 0.00 0.00 55.36 54.12 2p7m s GLN 75 Cb 0.03 -2.58 0.47 0.00 -0.22 0.00 0.00 33.01 30.71 2p7m s GLN 75 CO 0.23 0.24 1.92 1.03 -0.25 0.00 0.00 175.29 178.46 2p7m h SER 76 N 2.26 0.83 0.46 5.90 0.87 -1.92 -1.10 113.55 120.86 2p7m h SER 76 Ca -0.47 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2p7m h SER 76 Cb 1.17 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2p7m h SER 76 CO 0.67 0.68 0.00 -0.33 -0.53 0.00 0.00 176.83 177.33 2p7m h GLU 77 N 0.93 0.00 -0.02 2.24 3.07 -1.95 -2.66 114.58 116.19 2p7m h GLU 77 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2p7m h GLU 77 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2p7m h GLU 77 CO -0.04 0.00 -0.20 0.39 -1.40 0.00 0.00 179.01 177.76 2p7m n GLU 78 N -2.62 1.60 -0.00 2.33 1.02 -0.42 -4.58 120.64 117.96 2p7m n GLU 78 Ca -0.00 -1.22 -0.09 0.00 -0.02 0.00 0.00 57.16 55.83 2p7m n GLU 78 Cb 0.17 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2p7m n GLU 78 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2p7m h VAL 79 N 2.97 0.58 -0.62 2.62 2.07 -1.46 -1.09 116.25 121.32 2p7m h VAL 79 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2p7m h VAL 79 Cb 0.75 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2p7m h VAL 79 CO 0.00 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.39 2p7m h ASP 80 N -0.19 0.76 0.08 0.57 3.32 -1.83 -1.00 116.42 118.13 2p7m h ASP 80 Ca 0.10 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2p7m h ASP 80 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2p7m h ASP 80 CO -0.25 0.62 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.58 2p7m h GLU 81 N 0.84 -0.40 -0.03 3.56 4.81 -1.73 -1.87 114.58 119.76 2p7m h GLU 81 Ca 0.22 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2p7m h GLU 81 Cb 0.01 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2p7m h GLU 81 CO -0.04 -0.26 -0.33 1.88 -0.73 0.00 0.00 179.01 179.52 2p7m h TYR 82 N -0.41 0.07 0.16 0.92 -1.99 -1.09 -1.68 116.97 112.95 2p7m h TYR 82 Ca 0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2p7m h TYR 82 Cb 0.45 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2p7m h TYR 82 CO -0.24 0.39 -0.15 1.15 -0.00 0.00 0.00 178.16 179.31 2p7m h THR 83 N 0.05 0.66 -0.63 -2.88 2.02 -0.63 -1.10 112.91 110.40 2p7m h THR 83 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2p7m h THR 83 Cb 0.62 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2p7m h THR 83 CO 0.05 0.00 0.28 -0.33 0.37 0.00 0.00 175.52 175.89 2p7m h GLU 84 N -0.34 0.92 -0.76 6.66 4.39 -1.14 -2.10 114.58 122.21 2p7m h GLU 84 Ca 0.00 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2p7m h GLU 84 Cb 0.32 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2p7m h GLU 84 CO -0.04 0.75 0.51 0.00 -1.16 0.00 0.00 179.01 179.08 2p7m h ARG 85 N 0.87 1.00 -0.18 2.33 3.08 -1.03 -2.09 114.38 118.37 2p7m h ARG 85 Ca 0.21 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2p7m h ARG 85 Cb 0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2p7m h ARG 85 CO -0.02 0.66 -0.20 0.82 -1.07 0.00 0.00 179.97 180.17 2p7m h ILE 86 N 1.03 1.34 -1.00 2.04 2.04 -0.99 -3.10 117.51 118.87 2p7m h ILE 86 Ca 0.28 -1.37 0.17 0.00 1.00 0.00 0.00 64.86 64.94 2p7m h ILE 86 Cb -0.11 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 2p7m h ILE 86 CO -0.06 0.41 0.62 0.50 0.00 0.00 0.00 178.15 179.62 2p7m h LYS 87 N 0.10 0.79 0.00 2.37 3.64 -1.01 -0.18 116.57 122.29 2p7m h LYS 87 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2p7m h LYS 87 Cb 0.74 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2p7m h LYS 87 CO 0.05 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 2p7m n ALA 88 N -2.34 1.50 0.84 5.00 0.00 -0.82 -2.09 120.51 122.60 2p7m n ALA 88 Ca 0.22 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.72 2p7m n ALA 88 Cb 0.52 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 2p7m n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2p7m n LEU 89 N -1.30 1.62 0.00 0.00 4.77 -0.08 -4.98 117.00 117.03 2p7m n LEU 89 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2p7m n LEU 89 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2p7m n LEU 89 CO 0.06 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2p7m n GLY 90 N 1.30 0.85 3.82 -0.72 0.00 -0.89 -5.01 105.19 104.53 2p7m n GLY 90 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2p7m n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p7m s VAL 91 N -3.50 4.04 0.24 1.61 -7.23 -1.26 -5.01 120.40 109.29 2p7m s VAL 91 Ca 0.00 0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 60.69 2p7m s VAL 91 Cb 0.00 -3.45 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 2p7m s VAL 91 CO 0.00 -0.74 0.90 -1.61 -0.31 0.00 0.00 175.10 173.34 2p7m s GLU 92 N -4.62 4.72 -0.04 4.82 2.02 -1.26 -4.85 118.70 119.50 2p7m s GLU 92 Ca 0.60 1.36 0.07 0.00 0.02 0.00 0.00 54.97 57.02 2p7m s GLU 92 Cb -0.14 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 2p7m s GLU 92 CO 0.46 0.48 -0.25 -1.64 0.02 0.00 0.00 175.26 174.33 2p7m s MET 93 N -1.38 2.31 0.14 1.61 -1.94 -1.26 -1.77 119.30 117.02 2p7m s MET 93 Ca 0.42 -0.92 0.10 0.00 -1.71 0.00 0.00 55.69 53.59 2p7m s MET 93 Cb -0.24 -2.10 -0.13 0.00 2.01 0.00 0.00 34.83 34.37 2p7m s MET 93 CO 0.29 0.48 1.23 0.87 -0.01 0.00 0.00 175.02 177.88 2p7m h LYS 94 N 5.74 0.00 -1.72 2.03 1.57 -1.48 -3.49 116.57 119.22 2p7m h LYS 94 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2p7m h LYS 94 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2p7m h LYS 94 CO 0.47 0.77 0.00 0.39 -0.57 0.00 0.00 179.45 180.51 2p7m n GLU 103 N -3.26 0.00 0.00 3.15 4.71 -1.26 -4.65 120.64 119.33 2p7m n GLU 103 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2p7m n GLU 103 Cb 0.89 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 2p7m n GLU 103 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2p7m n GLY 104 N 0.92 0.58 0.00 0.62 0.00 -1.26 -4.95 105.19 101.09 2p7m n GLY 104 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2p7m n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p7m n ARG 105 N 0.00 3.25 -3.73 1.61 1.74 -1.26 -4.90 116.66 113.37 2p7m n ARG 105 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2p7m n ARG 105 Cb 0.00 -0.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.84 2p7m n ARG 105 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2p7m s SER 106 N -0.71 -0.34 -0.13 0.55 0.01 -1.26 0.18 113.70 111.99 2p7m s SER 106 Ca 0.00 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 57.89 2p7m s SER 106 Cb 0.00 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.77 2p7m s SER 106 CO 0.00 -0.16 -0.10 -0.63 0.41 0.00 0.00 173.24 172.76 2p7m s ILE 107 N 1.01 3.29 -0.07 1.44 1.01 -0.48 -4.96 121.20 122.44 2p7m s ILE 107 Ca -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2p7m s ILE 107 Cb -0.08 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2p7m s ILE 107 CO -0.07 0.52 -0.23 -0.31 0.00 0.00 0.00 174.94 174.84 2p7m s TYR 108 N 0.31 2.52 0.15 3.97 1.51 -1.26 -0.75 117.35 123.79 2p7m s TYR 108 Ca -0.09 -0.78 -0.18 0.00 -1.01 0.00 0.00 57.07 55.01 2p7m s TYR 108 Cb -0.15 -1.65 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 2p7m s TYR 108 CO 0.05 -0.25 0.48 -0.59 -1.11 0.00 0.00 175.55 174.13 2p7m s PHE 109 N -0.01 -0.30 0.15 2.71 -0.12 -0.48 -1.06 117.98 118.87 2p7m s PHE 109 Ca -0.08 0.01 0.07 0.00 -0.05 0.00 0.00 56.93 56.88 2p7m s PHE 109 Cb -0.15 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2p7m s PHE 109 CO 0.05 -0.78 -0.02 0.71 -0.05 0.00 0.00 175.22 175.13 2p7m s TYR 110 N -3.80 2.83 0.00 3.49 1.51 -0.73 0.24 117.35 120.90 2p7m s TYR 110 Ca 0.03 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2p7m s TYR 110 Cb 0.01 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 2p7m s TYR 110 CO -0.11 0.50 0.00 -0.40 -1.11 0.00 0.00 175.55 174.43 2p7m n ASP 111 N 0.10 0.00 -0.93 2.29 3.85 -1.02 -4.33 116.55 116.50 2p7m n ASP 111 Ca -0.10 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.04 2p7m n ASP 111 Cb 0.54 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.52 2p7m n ASP 111 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2p7m n PHE 112 N 0.00 0.74 -1.76 2.11 3.01 -1.26 -4.07 117.46 116.22 2p7m n PHE 112 Ca 0.00 -0.33 0.05 0.00 1.01 0.00 0.00 57.45 58.18 2p7m n PHE 112 Cb 0.00 -0.07 0.08 0.00 -0.01 0.00 0.00 39.48 39.48 2p7m n PHE 112 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2p7m n ASP 113 N 0.73 1.21 -1.74 4.37 8.00 -1.26 -4.93 116.55 122.93 2p7m n ASP 113 Ca 0.15 -2.67 -0.15 0.00 0.71 0.00 0.00 54.79 52.84 2p7m n ASP 113 Cb 0.47 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2p7m n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2p7m n ASN 114 N -0.52 -4.45 -4.65 -2.24 3.02 -1.26 -1.58 115.26 103.58 2p7m n ASN 114 Ca 0.09 -0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 2p7m n ASN 114 Cb 0.77 -3.54 -0.09 0.00 -0.61 0.00 0.00 39.78 36.32 2p7m n ASN 114 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2p7m s HIS 115 N -2.77 3.32 -0.08 3.10 3.76 -1.26 -4.69 115.29 116.67 2p7m s HIS 115 Ca 0.04 0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 55.15 2p7m s HIS 115 Cb -0.02 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 2p7m s HIS 115 CO 0.05 -0.06 0.76 -1.17 -0.85 0.00 0.00 174.74 173.47 2p7m s LEU 116 N 1.49 4.30 0.13 0.89 2.96 -1.26 -2.43 118.68 124.76 2p7m s LEU 116 Ca 0.15 1.25 0.11 0.00 -0.22 0.00 0.00 54.13 55.41 2p7m s LEU 116 Cb -0.15 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 2p7m s LEU 116 CO 0.08 -0.19 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.30 2p7m s PHE 117 N 1.08 2.33 -0.02 5.38 0.40 0.14 -3.52 117.98 123.77 2p7m s PHE 117 Ca 0.40 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2p7m s PHE 117 Cb -0.18 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 2p7m s PHE 117 CO 0.19 0.35 -0.12 -2.00 0.70 0.00 0.00 175.22 174.34 2p7m s GLU 118 N -2.10 1.05 -0.30 0.44 2.12 -0.29 -1.39 118.70 118.22 2p7m s GLU 118 Ca 0.15 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 2p7m s GLU 118 Cb -0.10 -0.99 0.04 0.00 0.26 0.00 0.00 34.13 33.34 2p7m s GLU 118 CO 0.07 0.23 0.02 -0.51 -0.54 0.00 0.00 175.26 174.53 2p7m s LEU 119 N -0.17 3.88 -0.22 2.70 1.43 0.07 -0.46 118.68 125.91 2p7m s LEU 119 Ca 0.03 -1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 51.92 2p7m s LEU 119 Cb -0.06 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2p7m s LEU 119 CO -0.00 -0.25 0.12 -2.28 0.23 0.00 0.00 176.35 174.17 2p7m s HIS 120 N 1.33 3.27 -0.22 0.29 2.46 0.87 -1.38 115.29 121.91 2p7m s HIS 120 Ca -0.03 0.11 -0.19 0.00 0.47 0.00 0.00 55.06 55.42 2p7m s HIS 120 Cb -0.19 -2.21 -0.03 0.00 -0.13 0.00 0.00 32.58 30.03 2p7m s HIS 120 CO -0.00 0.05 0.56 0.00 -2.47 0.00 0.00 174.74 172.88 2p7m s ALA 121 N 0.90 3.56 0.00 1.58 0.00 0.47 -1.45 121.76 126.83 2p7m s ALA 121 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2p7m s ALA 121 Cb -0.13 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2p7m s ALA 121 CO 0.03 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2p7m n GLY 122 N 4.00 1.18 3.72 0.00 0.00 -1.23 -4.82 105.19 108.04 2p7m n GLY 122 Ca -0.03 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 2p7m n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p7m s THR 123 N -2.08 4.52 0.45 2.61 -4.23 -1.26 -4.84 115.64 110.81 2p7m s THR 123 Ca 0.00 -0.23 0.13 0.00 -1.18 0.00 0.00 61.69 60.41 2p7m s THR 123 Cb 0.00 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.20 2p7m s THR 123 CO 0.00 0.56 2.03 -0.07 -0.54 0.00 0.00 174.62 176.60 2p7m h LEU 124 N 4.94 0.32 -0.56 4.79 3.38 -1.97 0.36 115.31 126.56 2p7m h LEU 124 Ca -0.51 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.54 2p7m h LEU 124 Cb 1.19 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2p7m h LEU 124 CO 0.56 0.21 0.21 -0.33 0.09 0.00 0.00 178.44 179.18 2p7m h GLU 125 N 0.36 0.38 0.00 1.13 4.39 -1.97 -0.07 114.58 118.81 2p7m h GLU 125 Ca 0.19 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.70 2p7m h GLU 125 Cb 0.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2p7m h GLU 125 CO -0.05 0.25 -0.79 1.05 -1.16 0.00 0.00 179.01 178.32 2p7m h GLU 126 N 0.39 0.00 -0.29 2.33 9.09 -1.39 -3.20 114.58 121.51 2p7m h GLU 126 Ca 0.28 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.77 2p7m h GLU 126 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 2p7m h GLU 126 CO -0.28 0.79 0.22 0.07 0.05 0.00 0.00 179.01 179.86 2p7m h ARG 127 N 0.00 0.00 -5.97 1.06 -0.00 0.15 -3.39 114.38 106.23 2p7m h ARG 127 Ca -0.01 0.00 -0.50 0.00 -0.00 0.00 0.00 59.98 59.47 2p7m h ARG 127 Cb 1.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.45 2p7m h ARG 127 CO 0.10 0.00 1.37 -0.51 -0.00 0.00 0.00 179.97 180.94 2p7m s LEU 128 N -8.70 3.32 0.00 0.08 1.43 -0.70 -4.36 118.68 109.76 2p7m s LEU 128 Ca -0.05 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2p7m s LEU 128 Cb 0.18 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2p7m s LEU 128 CO 0.68 -2.37 0.12 0.29 0.23 0.00 0.00 176.35 175.30 2p7m n LYS 129 N 9.10 0.00 0.00 1.70 4.76 -1.26 -5.06 118.16 127.40 2p7m n LYS 129 Ca 0.22 -0.12 0.09 0.00 -2.87 0.00 0.00 58.31 55.63 2p7m n LYS 129 Cb 0.52 0.49 0.54 0.00 -1.84 0.00 0.00 35.03 34.74 2p7m n LYS 129 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57