#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7m s ILE 2 N 0.00 4.56 0.22 2.02 -1.09 -1.26 -4.93 121.20 120.72 2p7m s ILE 2 Ca 0.00 1.84 -0.01 0.00 -2.23 0.00 0.00 60.65 60.25 2p7m s ILE 2 Cb 0.00 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2p7m s ILE 2 CO 0.00 0.12 1.56 0.28 -1.23 0.00 0.00 174.94 175.67 2p7m h SER 3 N 6.88 0.56 0.00 3.58 0.02 -2.11 -3.49 113.55 119.00 2p7m h SER 3 Ca -0.40 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2p7m h SER 3 Cb 1.21 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2p7m h SER 3 CO 0.79 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 178.04 2p7m n GLY 4 N 0.09 -0.16 3.72 -3.77 0.00 -1.26 -5.10 105.19 98.71 2p7m n GLY 4 Ca -0.02 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 4.43 -0.16 0.99 2.96 -1.26 -4.96 118.68 120.69 2p7m s LEU 5 Ca 0.00 1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.54 2p7m s LEU 5 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 2p7m s LEU 5 CO 0.00 -0.18 -0.18 -0.24 -1.32 0.00 0.00 176.35 174.44 2p7m n SER 6 N 3.33 1.84 -3.67 3.68 2.88 -1.26 -5.01 113.62 115.41 2p7m n SER 6 Ca 0.04 0.56 -0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2p7m n SER 6 Cb 0.50 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.07 -0.07 0.66 -3.43 -1.26 -4.48 115.29 104.28 2p7m s HIS 7 Ca -0.19 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.00 2p7m s HIS 7 Cb 0.03 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.76 2p7m s HIS 7 CO 0.29 -0.50 -0.23 0.42 -2.00 0.00 0.00 174.74 172.72 2p7m s ILE 8 N -2.72 1.94 -0.17 -5.38 1.01 -0.89 -5.01 121.20 109.99 2p7m s ILE 8 Ca 0.14 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2p7m s ILE 8 Cb 0.02 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2p7m s ILE 8 CO -0.01 0.54 -0.10 -0.89 0.00 0.00 0.00 174.94 174.47 2p7m s THR 9 N 0.03 3.13 -0.04 2.92 2.01 -1.26 -0.06 115.64 122.36 2p7m s THR 9 Ca -0.08 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2p7m s THR 9 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2p7m s THR 9 CO 0.05 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.47 2p7m s LEU 10 N 0.80 2.04 -0.17 4.42 1.43 0.03 -4.99 118.68 122.24 2p7m s LEU 10 Ca -0.04 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2p7m s LEU 10 Cb -0.15 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2p7m s LEU 10 CO 0.01 0.26 0.09 -0.63 0.23 0.00 0.00 176.35 176.30 2p7m s ILE 11 N -0.30 5.03 0.03 -0.59 -1.09 -1.26 -0.74 121.20 122.28 2p7m s ILE 11 Ca 0.01 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 2p7m s ILE 11 Cb -0.12 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 2p7m s ILE 11 CO 0.02 0.49 -0.06 0.68 -1.23 0.00 0.00 174.94 174.84 2p7m s VAL 12 N 0.09 0.38 0.04 2.92 -7.23 0.10 -4.91 120.40 111.80 2p7m s VAL 12 Ca 0.07 -0.90 0.21 0.00 -1.81 0.00 0.00 61.98 59.54 2p7m s VAL 12 Cb -0.12 -0.45 0.18 0.00 0.56 0.00 0.00 36.38 36.54 2p7m s VAL 12 CO 0.00 -0.35 1.70 0.07 -0.31 0.00 0.00 175.10 176.21 2p7m h LYS 13 N 4.76 0.00 -3.53 4.82 2.10 -1.84 0.13 116.57 123.00 2p7m h LYS 13 Ca -0.33 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.75 2p7m h LYS 13 Cb 1.20 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.13 2p7m h LYS 13 CO 0.42 0.32 -0.76 0.34 -2.00 0.00 0.00 179.45 177.77 2p7m s ASP 14 N -6.31 3.74 0.15 7.07 -1.08 -1.26 -4.64 116.67 114.34 2p7m s ASP 14 Ca 0.02 -1.41 -0.14 0.00 -0.52 0.00 0.00 52.55 50.50 2p7m s ASP 14 Cb 0.09 -0.78 0.02 0.00 -1.46 0.00 0.00 42.92 40.79 2p7m s ASP 14 CO 0.68 -0.38 1.66 0.25 0.52 0.00 0.00 175.17 177.89 2p7m h LEU 15 N 8.14 0.72 -0.57 -1.34 5.85 -1.94 -2.09 115.31 124.07 2p7m h LEU 15 Ca -0.15 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 2p7m h LEU 15 Cb 1.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2p7m h LEU 15 CO 0.44 0.76 -0.05 0.78 -0.34 0.00 0.00 178.44 180.03 2p7m h ASN 16 N 0.65 1.04 -0.54 1.25 2.35 -1.99 0.25 115.58 118.59 2p7m h ASN 16 Ca 0.15 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2p7m h ASN 16 Cb 0.31 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2p7m h ASN 16 CO -0.00 1.12 0.09 0.50 -1.65 0.00 0.00 177.43 177.48 2p7m h LYS 17 N 0.94 0.89 -0.49 0.81 3.64 -1.98 -2.35 116.57 118.03 2p7m h LYS 17 Ca 0.16 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 2p7m h LYS 17 Cb 0.61 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2p7m h LYS 17 CO 0.04 0.87 -0.16 1.15 -2.27 0.00 0.00 179.45 179.08 2p7m h THR 18 N 0.78 1.27 -0.69 1.00 2.02 -1.24 -2.51 112.91 113.54 2p7m h THR 18 Ca 0.16 -1.31 0.09 0.00 0.77 0.00 0.00 66.41 66.13 2p7m h THR 18 Cb 0.41 1.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 2p7m h THR 18 CO 0.01 0.45 0.33 0.74 0.37 0.00 0.00 175.52 177.42 2p7m h THR 19 N 0.83 0.83 -0.55 3.16 2.02 -0.75 0.36 112.91 118.80 2p7m h THR 19 Ca 0.12 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2p7m h THR 19 Cb 0.72 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2p7m h THR 19 CO 0.06 0.10 0.27 0.00 0.37 0.00 0.00 175.52 176.32 2p7m h ALA 20 N 1.42 0.71 0.03 6.16 0.00 -1.30 -1.02 119.26 125.27 2p7m h ALA 20 Ca 0.34 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2p7m h ALA 20 Cb 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2p7m h ALA 20 CO -0.27 0.27 -0.20 0.35 0.00 0.00 0.00 179.25 179.39 2p7m h PHE 21 N 0.74 -0.52 -0.68 0.00 3.57 -0.74 -0.64 116.94 118.68 2p7m h PHE 21 Ca 0.19 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2p7m h PHE 21 Cb 0.11 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2p7m h PHE 21 CO -0.01 -0.28 0.29 -0.07 -2.23 0.00 0.00 178.31 176.01 2p7m h LEU 22 N -0.33 0.92 -0.83 0.59 3.38 -0.79 -2.20 115.31 116.04 2p7m h LEU 22 Ca 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2p7m h LEU 22 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2p7m h LEU 22 CO -0.16 0.83 -0.04 1.56 0.09 0.00 0.00 178.44 180.72 2p7m h GLN 23 N 0.96 0.84 0.27 1.13 4.20 -0.98 -1.01 115.11 120.52 2p7m h GLN 23 Ca 0.23 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2p7m h GLN 23 Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2p7m h GLN 23 CO -0.02 0.86 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.96 2p7m h ASN 24 N 0.77 -0.31 0.02 1.46 2.35 -0.97 -2.74 115.58 116.16 2p7m h ASN 24 Ca 0.14 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.46 2p7m h ASN 24 Cb 0.52 0.08 0.02 0.00 0.05 0.00 0.00 38.32 38.99 2p7m h ASN 24 CO 0.03 0.17 -0.93 0.40 -1.65 0.00 0.00 177.43 175.45 2p7m h ILE 25 N -0.95 1.33 -0.35 2.81 2.04 -1.48 -3.35 117.51 117.55 2p7m h ILE 25 Ca -0.04 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2p7m h ILE 25 Cb 0.49 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2p7m h ILE 25 CO 0.06 0.68 0.00 0.49 0.00 0.00 0.00 178.15 179.38 2p7m n PHE 26 N -3.97 0.46 -3.79 1.37 3.01 -0.41 -4.94 117.46 109.18 2p7m n PHE 26 Ca -0.11 -0.27 -0.29 0.00 1.01 0.00 0.00 57.45 57.79 2p7m n PHE 26 Cb 0.83 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.30 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 1.28 -4.23 -4.77 4.37 5.03 -1.03 -4.79 115.26 111.12 2p7m n ASN 27 Ca 0.17 -0.70 -0.41 0.00 0.87 0.00 0.00 54.58 54.51 2p7m n ASN 27 Cb 0.55 -3.43 -0.01 0.00 -1.02 0.00 0.00 39.78 35.87 2p7m n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2p7m s ALA 28 N -3.18 3.60 -0.33 5.41 0.00 -1.03 -4.94 121.76 121.29 2p7m s ALA 28 Ca 0.60 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.94 2p7m s ALA 28 Cb -0.31 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.26 2p7m s ALA 28 CO 0.73 -0.89 0.12 -2.00 0.00 0.00 0.00 175.76 173.72 2p7m s GLU 29 N -1.41 2.81 0.17 0.00 2.12 -0.91 -4.57 118.70 116.91 2p7m s GLU 29 Ca 0.55 -1.06 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 2p7m s GLU 29 Cb -0.44 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 2p7m s GLU 29 CO 0.54 -0.60 1.40 -2.00 -0.54 0.00 0.00 175.26 174.06 2p7m s GLU 30 N 1.46 4.31 0.00 4.30 2.12 -1.26 -0.46 118.70 129.18 2p7m s GLU 30 Ca 0.00 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2p7m s GLU 30 Cb -0.19 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2p7m s GLU 30 CO 0.03 -0.41 0.22 -0.89 -0.54 0.00 0.00 175.26 173.68 2p7m n ILE 31 N 3.31 0.00 -3.57 -3.70 5.41 0.02 -4.92 119.36 115.91 2p7m n ILE 31 Ca 0.10 -0.38 -0.16 0.00 1.00 0.00 0.00 62.75 63.31 2p7m n ILE 31 Cb 0.41 1.15 -0.06 0.00 -0.71 0.00 0.00 39.64 40.43 2p7m n ILE 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 2p7m s TYR 32 N -0.31 -0.66 -0.15 1.39 5.04 -1.14 -4.96 117.35 116.56 2p7m s TYR 32 Ca 0.00 1.34 -0.08 0.00 -2.44 0.00 0.00 57.07 55.89 2p7m s TYR 32 Cb 0.00 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.73 2p7m s TYR 32 CO 0.00 -0.49 0.35 0.45 -1.34 0.00 0.00 175.55 174.52 2p7m s SER 33 N -0.60 -0.43 0.69 4.32 0.15 -1.26 -1.68 113.70 114.89 2p7m s SER 33 Ca -0.06 0.76 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 2p7m s SER 33 Cb -0.02 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2p7m s SER 33 CO 0.05 -0.18 1.15 -0.94 1.20 0.00 0.00 173.24 174.52 2p7m s SER 34 N 1.32 4.68 -0.11 5.45 1.04 -0.53 -5.02 113.70 120.53 2p7m s SER 34 Ca -0.09 2.16 -0.32 0.00 0.48 0.00 0.00 55.95 58.17 2p7m s SER 34 Cb -0.09 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.36 2p7m s SER 34 CO -0.11 -1.92 2.00 0.33 0.98 0.00 0.00 173.24 174.51 2p7m n PHE 39 N -2.56 2.24 -4.76 5.02 -0.00 -1.26 -4.93 117.46 111.21 2p7m n PHE 39 Ca 0.12 -0.08 -0.32 0.00 -0.00 0.00 0.00 57.45 57.17 2p7m n PHE 39 Cb 0.51 -2.70 -0.13 0.00 -0.00 0.00 0.00 39.48 37.17 2p7m n PHE 39 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2p7m s SER 40 N 5.25 3.91 0.00 -2.13 0.15 -1.26 -5.01 113.70 114.61 2p7m s SER 40 Ca 0.95 -0.32 0.29 0.00 0.70 0.00 0.00 55.95 57.57 2p7m s SER 40 Cb -0.59 -0.72 1.71 0.00 -1.71 0.00 0.00 66.02 64.71 2p7m s SER 40 CO 0.47 0.29 2.10 0.18 1.20 0.00 0.00 173.24 177.48 2p7m n LEU 41 N 1.87 0.00 -3.59 3.45 4.77 -1.26 -4.84 117.00 117.40 2p7m n LEU 41 Ca -0.16 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 2p7m n LEU 41 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2p7m n LEU 41 CO 0.26 0.00 0.89 -0.55 -1.33 0.00 0.00 177.39 176.66 2p7m s SER 42 N -1.90 -0.27 -0.46 -1.43 0.15 -1.26 -5.11 113.70 103.42 2p7m s SER 42 Ca 0.43 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 57.07 2p7m s SER 42 Cb 0.20 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2p7m s SER 42 CO 0.33 -0.26 1.13 -0.75 1.20 0.00 0.00 173.24 174.89 2p7m s LYS 43 N -1.17 3.77 0.12 5.44 2.47 -1.26 -4.82 119.74 124.30 2p7m s LYS 43 Ca 0.02 0.64 -0.13 0.00 -1.56 0.00 0.00 55.97 54.94 2p7m s LYS 43 Cb -0.01 -3.88 0.02 0.00 -1.46 0.00 0.00 37.83 32.49 2p7m s LYS 43 CO -0.02 -1.32 0.32 -1.83 0.16 0.00 0.00 175.35 172.67 2p7m s GLU 44 N 4.35 1.03 -0.02 4.03 -1.05 -1.26 -1.29 118.70 124.49 2p7m s GLU 44 Ca 0.48 -0.88 -0.05 0.00 -0.15 0.00 0.00 54.97 54.37 2p7m s GLU 44 Cb -0.08 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 2p7m s GLU 44 CO 0.29 -0.38 0.12 0.15 0.95 0.00 0.00 175.26 176.39 2p7m s LYS 45 N -3.85 0.29 -0.15 -4.83 1.02 -0.51 -1.45 119.74 110.26 2p7m s LYS 45 Ca 0.06 -0.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 2p7m s LYS 45 Cb 0.03 0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2p7m s LYS 45 CO -0.09 -0.06 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.14 2p7m s PHE 46 N -0.62 2.91 0.20 3.18 2.99 -0.68 -0.93 117.98 125.03 2p7m s PHE 46 Ca -0.07 -0.53 0.11 0.00 0.00 0.00 0.00 56.93 56.43 2p7m s PHE 46 Cb -0.04 -1.91 -0.04 0.00 0.00 0.00 0.00 43.02 41.02 2p7m s PHE 46 CO 0.01 -0.17 -0.22 -0.06 -0.00 0.00 0.00 175.22 174.77 2p7m s PHE 47 N 0.45 2.20 -0.29 0.36 0.40 0.87 -0.80 117.98 121.18 2p7m s PHE 47 Ca -0.07 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 2p7m s PHE 47 Cb -0.15 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.32 2p7m s PHE 47 CO 0.04 0.50 0.07 -1.17 0.70 0.00 0.00 175.22 175.35 2p7m s LEU 48 N -2.80 3.73 -0.27 -0.37 2.96 0.40 -0.50 118.68 121.83 2p7m s LEU 48 Ca 0.21 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2p7m s LEU 48 Cb -0.07 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2p7m s LEU 48 CO 0.10 -0.17 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.31 2p7m s ILE 49 N 1.50 1.78 -1.34 6.68 1.01 0.31 -2.13 121.20 129.01 2p7m s ILE 49 Ca 0.03 -1.60 -0.00 0.00 0.00 0.00 0.00 60.65 59.08 2p7m s ILE 49 Cb -0.17 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2p7m s ILE 49 CO 0.02 -0.26 0.61 0.00 0.00 0.00 0.00 174.94 175.31 2p7m n ALA 50 N 4.54 -2.01 -0.24 9.38 0.00 -1.26 -1.17 120.51 129.74 2p7m n ALA 50 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2p7m n ALA 50 Cb 0.43 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.70 2.33 3.84 0.00 0.00 -1.26 -5.00 105.19 103.40 2p7m n GLY 51 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 4.36 -0.18 0.99 1.43 -0.32 -5.07 118.68 119.90 2p7m s LEU 52 Ca 0.00 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 2p7m s LEU 52 Cb 0.00 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2p7m s LEU 52 CO 0.00 0.35 0.69 0.26 0.23 0.00 0.00 176.35 177.87 2p7m s TRP 53 N -0.72 3.40 -0.12 0.29 0.52 -1.26 -0.53 118.94 120.52 2p7m s TRP 53 Ca 0.15 1.04 0.02 0.00 0.02 0.00 0.00 56.10 57.33 2p7m s TRP 53 Cb -0.12 -2.85 -0.00 0.00 -1.15 0.00 0.00 33.47 29.34 2p7m s TRP 53 CO 0.04 -0.17 -0.20 0.42 0.02 0.00 0.00 176.95 177.06 2p7m s ILE 54 N 1.87 2.34 -0.18 2.03 -1.09 0.34 -2.09 121.20 124.41 2p7m s ILE 54 Ca 0.32 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2p7m s ILE 54 Cb -0.16 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 2p7m s ILE 54 CO 0.11 0.54 -0.02 0.00 -1.23 0.00 0.00 174.94 174.35 2p7m s ILE 56 N 0.79 3.15 -0.04 0.00 -1.09 -0.10 -0.79 121.20 123.11 2p7m s ILE 56 Ca -0.01 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2p7m s ILE 56 Cb -0.14 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2p7m s ILE 56 CO 0.02 0.54 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.12 2p7m s MET 57 N 0.01 1.29 0.16 2.79 -1.94 0.08 -1.43 119.30 120.27 2p7m s MET 57 Ca -0.04 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 53.25 2p7m s MET 57 Cb -0.14 -1.15 -0.07 0.00 2.01 0.00 0.00 34.83 35.47 2p7m s MET 57 CO 0.04 0.13 1.07 -2.00 -0.01 0.00 0.00 175.02 174.25 2p7m s GLU 58 N 0.25 4.62 -0.15 2.03 2.12 -0.41 0.02 118.70 127.18 2p7m s GLU 58 Ca -0.05 1.65 -0.34 0.00 0.36 0.00 0.00 54.97 56.58 2p7m s GLU 58 Cb -0.11 -3.31 0.14 0.00 0.26 0.00 0.00 34.13 31.12 2p7m s GLU 58 CO 0.01 0.10 1.32 0.20 -0.54 0.00 0.00 175.26 176.36 2p7m s GLY 59 N -0.05 -0.35 0.16 -1.50 0.00 0.45 -4.77 107.32 101.27 2p7m s GLY 59 Ca 0.49 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.53 2p7m s GLY 59 CO 0.33 0.37 1.37 -1.80 0.00 0.00 0.00 173.10 173.38 2p7m h ASP 60 N 2.00 0.28 -1.20 1.64 3.58 -1.93 -3.17 116.42 117.61 2p7m h ASP 60 Ca -0.18 -0.22 -0.76 0.00 0.42 0.00 0.00 57.03 56.29 2p7m h ASP 60 Cb 1.17 -0.08 0.05 0.00 1.72 0.00 0.00 39.33 42.19 2p7m h ASP 60 CO 0.25 1.03 0.17 -1.20 -2.88 0.00 0.00 179.24 176.61 2p7m n SER 61 N -3.67 0.47 -3.63 2.28 7.64 -1.26 -4.94 113.62 110.51 2p7m n SER 61 Ca -0.04 1.15 -0.26 0.00 1.01 0.00 0.00 58.87 60.73 2p7m n SER 61 Cb 0.81 -1.00 -0.17 0.00 -1.01 0.00 0.00 64.21 62.84 2p7m n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2p7m s LEU 62 N 0.15 0.43 0.28 -3.43 2.96 -1.26 -4.74 118.68 113.07 2p7m s LEU 62 Ca 0.89 -0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 53.96 2p7m s LEU 62 Cb -1.18 -0.28 -0.09 0.00 0.50 0.00 0.00 46.19 45.14 2p7m s LEU 62 CO 0.54 -0.33 0.96 -1.58 -1.32 0.00 0.00 176.35 174.62 2p7m s GLN 63 N 2.11 4.71 0.64 1.98 2.00 -1.26 -5.02 119.66 124.81 2p7m s GLN 63 Ca 0.02 1.45 -0.17 0.00 -2.00 0.00 0.00 55.36 54.66 2p7m s GLN 63 Cb -0.16 -3.06 -0.01 0.00 0.80 0.00 0.00 33.01 30.59 2p7m s GLN 63 CO -0.08 0.38 1.15 -1.83 -0.50 0.00 0.00 175.29 174.40 2p7m s GLU 64 N -1.59 2.83 0.23 1.67 1.03 -1.26 -4.77 118.70 116.83 2p7m s GLU 64 Ca 0.46 1.58 -0.30 0.00 0.03 0.00 0.00 54.97 56.73 2p7m s GLU 64 Cb -0.23 -1.94 -0.10 0.00 -0.80 0.00 0.00 34.13 31.06 2p7m s GLU 64 CO 0.29 -1.26 1.47 1.03 -1.33 0.00 0.00 175.26 175.46 2p7m s ARG 65 N -3.75 4.25 0.33 -4.83 0.52 -1.26 -5.01 118.95 109.20 2p7m s ARG 65 Ca 0.71 2.31 -0.09 0.00 -0.52 0.00 0.00 55.73 58.14 2p7m s ARG 65 Cb -0.24 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.12 2p7m s ARG 65 CO 0.37 -0.47 0.58 0.95 0.02 0.00 0.00 175.30 176.75 2p7m s THR 66 N 0.27 0.00 -2.19 0.02 -4.23 -1.26 -5.03 115.64 103.22 2p7m s THR 66 Ca 0.62 -1.36 0.21 0.00 -1.18 0.00 0.00 61.69 59.98 2p7m s THR 66 Cb -0.42 -2.58 0.51 0.00 1.34 0.00 0.00 72.50 71.35 2p7m s THR 66 CO 0.40 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.14 2p7m n TYR 67 N -0.51 0.11 -2.04 3.99 9.36 -1.26 -4.77 117.16 122.04 2p7m n TYR 67 Ca -0.02 -0.05 -0.42 0.00 3.32 0.00 0.00 57.90 60.72 2p7m n TYR 67 Cb 0.61 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.29 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 -1.63 6.70 0.17 2.98 0.01 -1.26 -4.92 114.94 116.98 2p7m s ASN 68 Ca 0.32 2.29 -0.24 0.00 -0.71 0.00 0.00 52.86 54.52 2p7m s ASN 68 Cb 0.16 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.33 2p7m s ASN 68 CO 0.26 -0.85 0.95 -1.38 -1.51 0.00 0.00 177.10 174.57 2p7m s HIS 69 N 2.99 -0.11 -0.11 2.20 -3.43 -1.26 -4.68 115.29 110.90 2p7m s HIS 69 Ca 0.71 -0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.72 2p7m s HIS 69 Cb -0.35 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.42 2p7m s HIS 69 CO 0.29 -0.88 -0.02 0.42 -2.00 0.00 0.00 174.74 172.56 2p7m s ILE 70 N -3.19 4.13 -0.13 -5.38 1.01 -1.25 -5.03 121.20 111.36 2p7m s ILE 70 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2p7m s ILE 70 Cb -0.02 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2p7m s ILE 70 CO 0.03 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.32 2p7m s ALA 71 N -0.48 2.24 0.23 9.38 0.00 -1.26 -1.74 121.76 130.14 2p7m s ALA 71 Ca 0.08 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2p7m s ALA 71 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2p7m s ALA 71 CO 0.02 0.03 0.38 -0.06 0.00 0.00 0.00 175.76 176.14 2p7m s PHE 72 N 0.72 3.47 -0.11 0.00 0.40 0.62 -4.91 117.98 118.19 2p7m s PHE 72 Ca -0.09 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.24 2p7m s PHE 72 Cb -0.16 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 2p7m s PHE 72 CO 0.00 0.39 0.34 -1.14 0.70 0.00 0.00 175.22 175.51 2p7m s GLN 73 N -3.77 4.10 0.22 0.44 2.00 -1.26 -0.61 119.66 120.78 2p7m s GLN 73 Ca 0.36 0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.93 2p7m s GLN 73 Cb -0.10 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 2p7m s GLN 73 CO 0.30 0.39 0.11 0.96 -0.50 0.00 0.00 175.29 176.55 2p7m s ILE 74 N -0.05 0.26 0.29 -2.34 -4.36 -0.78 -4.91 121.20 109.30 2p7m s ILE 74 Ca 0.20 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2p7m s ILE 74 Cb -0.14 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 2p7m s ILE 74 CO 0.07 -0.04 0.51 -1.10 0.24 0.00 0.00 174.94 174.62 2p7m s GLN 75 N -4.09 3.54 0.22 0.37 -1.52 -1.26 -4.15 119.66 112.76 2p7m s GLN 75 Ca 0.37 -0.23 -0.08 0.00 -1.95 0.00 0.00 55.36 53.47 2p7m s GLN 75 Cb 0.07 -2.70 0.32 0.00 -0.22 0.00 0.00 33.01 30.48 2p7m s GLN 75 CO 0.12 0.23 1.74 1.03 -0.25 0.00 0.00 175.29 178.16 2p7m h SER 76 N 1.34 0.25 -0.03 5.90 0.87 -1.94 -1.17 113.55 118.77 2p7m h SER 76 Ca -0.49 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.17 2p7m h SER 76 Cb 1.20 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2p7m h SER 76 CO 0.64 0.14 0.08 -0.33 -0.53 0.00 0.00 176.83 176.84 2p7m h GLU 77 N 0.43 0.00 -0.00 2.24 3.07 -1.97 -2.31 114.58 116.04 2p7m h GLU 77 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2p7m h GLU 77 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2p7m h GLU 77 CO -0.32 0.00 -0.26 0.39 -1.40 0.00 0.00 179.01 177.41 2p7m n GLU 78 N -3.36 0.56 -0.00 2.33 1.02 -0.44 -4.42 120.64 116.32 2p7m n GLU 78 Ca -0.02 -0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 56.74 2p7m n GLU 78 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.70 0.46 -0.45 2.62 2.07 -1.47 -1.53 116.25 118.66 2p7m h VAL 79 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2p7m h VAL 79 Cb 0.47 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2p7m h VAL 79 CO 0.00 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.29 2p7m h ASP 80 N -0.27 0.43 -0.51 0.57 3.45 -1.82 -1.04 116.42 117.22 2p7m h ASP 80 Ca 0.10 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.61 2p7m h ASP 80 Cb 0.42 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.07 2p7m h ASP 80 CO -0.30 0.31 0.27 -0.33 -1.57 0.00 0.00 179.24 177.62 2p7m h GLU 81 N 0.53 0.52 -0.17 3.56 5.08 -1.73 -0.39 114.58 121.98 2p7m h GLU 81 Ca 0.18 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2p7m h GLU 81 Cb 0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2p7m h GLU 81 CO -0.08 0.34 -0.39 1.88 -1.00 0.00 0.00 179.01 179.76 2p7m h TYR 82 N 0.53 0.44 -0.62 4.33 -1.99 -1.05 -1.74 116.97 116.88 2p7m h TYR 82 Ca 0.22 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 2p7m h TYR 82 Cb 0.11 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 2p7m h TYR 82 CO -0.09 0.71 0.38 1.15 -0.00 0.00 0.00 178.16 180.31 2p7m h THR 83 N 0.32 1.18 -0.66 -2.88 2.02 -0.43 -0.54 112.91 111.91 2p7m h THR 83 Ca 0.03 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2p7m h THR 83 Cb 0.82 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2p7m h THR 83 CO 0.07 0.18 0.27 -0.33 0.37 0.00 0.00 175.52 176.08 2p7m h GLU 84 N 0.84 0.98 -0.58 6.66 4.39 -0.79 -0.46 114.58 125.64 2p7m h GLU 84 Ca 0.22 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2p7m h GLU 84 Cb -0.03 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2p7m h GLU 84 CO -0.04 0.82 0.26 0.00 -1.16 0.00 0.00 179.01 178.88 2p7m h ARG 85 N 0.93 0.84 -0.22 2.33 3.08 -0.77 0.51 114.38 121.08 2p7m h ARG 85 Ca 0.22 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2p7m h ARG 85 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2p7m h ARG 85 CO -0.02 0.70 -0.07 0.82 -1.07 0.00 0.00 179.97 180.33 2p7m h ILE 86 N 0.78 1.29 -0.69 2.04 1.08 -0.96 -2.85 117.51 118.21 2p7m h ILE 86 Ca 0.20 -1.09 0.07 0.00 -0.39 0.00 0.00 64.86 63.65 2p7m h ILE 86 Cb 0.15 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.39 2p7m h ILE 86 CO -0.02 0.33 0.37 0.50 -0.69 0.00 0.00 178.15 178.65 2p7m h LYS 87 N 0.16 0.66 -0.41 2.37 3.64 -0.91 -1.78 116.57 120.29 2p7m h LYS 87 Ca 0.05 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2p7m h LYS 87 Cb 0.54 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2p7m h LYS 87 CO 0.02 0.43 0.27 0.00 -2.27 0.00 0.00 179.45 177.91 2p7m h ALA 88 N 1.37 1.74 -0.03 5.00 0.00 -0.75 -1.95 119.26 124.65 2p7m h ALA 88 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2p7m h ALA 88 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2p7m h ALA 88 CO -0.21 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2p7m n LEU 89 N -4.48 1.16 -0.41 0.00 4.77 -0.69 -4.92 117.00 112.44 2p7m n LEU 89 Ca 0.03 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 2p7m n LEU 89 Cb 0.09 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2p7m n LEU 89 CO 0.35 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.17 2p7m n GLY 90 N 1.12 0.66 3.76 -0.72 0.00 -0.73 -4.97 105.19 104.31 2p7m n GLY 90 Ca 0.19 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2p7m n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p7m s VAL 91 N -1.80 3.51 0.10 1.61 0.11 -1.17 -4.97 120.40 117.77 2p7m s VAL 91 Ca 0.00 1.46 -0.31 0.00 -2.93 0.00 0.00 61.98 60.20 2p7m s VAL 91 Cb 0.00 -3.91 -0.08 0.00 -1.53 0.00 0.00 36.38 30.86 2p7m s VAL 91 CO 0.00 0.31 1.53 -0.70 -3.33 0.00 0.00 175.10 172.91 2p7m s GLU 92 N -1.60 4.24 0.08 1.54 2.12 -1.26 -4.72 118.70 119.10 2p7m s GLU 92 Ca 0.46 2.22 0.08 0.00 0.36 0.00 0.00 54.97 58.10 2p7m s GLU 92 Cb -0.31 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2p7m s GLU 92 CO 0.39 -0.60 -0.18 -1.64 -0.54 0.00 0.00 175.26 172.69 2p7m s MET 93 N 1.82 1.93 0.40 4.30 -1.94 -1.26 -1.38 119.30 123.16 2p7m s MET 93 Ca 0.69 -1.08 -0.10 0.00 -1.71 0.00 0.00 55.69 53.49 2p7m s MET 93 Cb -0.39 -2.16 -0.06 0.00 2.01 0.00 0.00 34.83 34.23 2p7m s MET 93 CO 0.31 0.51 0.76 0.15 -0.01 0.00 0.00 175.02 176.73 2p7m s LYS 94 N -1.83 3.76 0.99 2.03 -0.14 0.30 -4.97 119.74 119.88 2p7m s LYS 94 Ca 0.17 0.43 -0.16 0.00 -1.36 0.00 0.00 55.97 55.05 2p7m s LYS 94 Cb -0.11 -2.41 0.20 0.00 -1.68 0.00 0.00 37.83 33.84 2p7m s LYS 94 CO 0.08 -0.03 1.23 -1.25 -0.76 0.00 0.00 175.35 174.63 2p7m s PRO 95 N -3.86 0.43 0.20 -1.68 0.04 -1.26 -4.63 135.00 124.24 2p7m s PRO 95 Ca 0.51 -0.18 -0.33 0.00 0.04 0.00 0.00 61.00 61.04 2p7m s PRO 95 Cb -0.10 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 2p7m s PRO 95 CO 0.32 -2.59 1.59 -1.91 0.04 0.00 0.00 177.00 174.45 2p7m n GLU 96 N -3.94 2.34 -3.57 4.56 2.13 -1.26 -4.93 120.64 115.96 2p7m n GLU 96 Ca 0.13 0.84 -0.37 0.00 0.66 0.00 0.00 57.16 58.42 2p7m n GLU 96 Cb 0.60 -2.61 -0.06 0.00 0.27 0.00 0.00 31.44 29.63 2p7m n GLU 96 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2p7m s ARG 97 N 0.64 3.81 0.42 5.31 3.52 -1.26 -5.05 118.95 126.34 2p7m s ARG 97 Ca 0.75 0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 56.36 2p7m s ARG 97 Cb -0.62 -3.15 -0.09 0.00 -1.56 0.00 0.00 34.95 29.53 2p7m s ARG 97 CO 0.39 0.67 1.44 -2.14 -0.81 0.00 0.00 175.30 174.85 2p7m s PRO 98 N -1.31 3.89 0.11 5.12 0.02 -1.26 -5.01 135.00 136.56 2p7m s PRO 98 Ca 0.25 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.75 2p7m s PRO 98 Cb -0.15 -2.80 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 2p7m s PRO 98 CO 0.14 -0.67 -0.08 1.03 -0.33 0.00 0.00 177.00 177.09 2p7m s ARG 99 N -2.28 0.89 0.38 5.54 0.52 -1.26 -5.16 118.95 117.58 2p7m s ARG 99 Ca 0.57 -1.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 2p7m s ARG 99 Cb -0.44 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 2p7m s ARG 99 CO 0.58 0.01 0.43 0.14 0.02 0.00 0.00 175.30 176.49 2p7m s VAL 100 N -3.46 3.32 0.28 3.52 -7.23 -1.26 -5.04 120.40 110.53 2p7m s VAL 100 Ca 0.12 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 2p7m s VAL 100 Cb 0.04 -3.15 -0.10 0.00 0.56 0.00 0.00 36.38 33.73 2p7m s VAL 100 CO -0.03 -0.08 1.43 -1.10 -0.31 0.00 0.00 175.10 175.01 2p7m s GLN 101 N -4.17 4.26 0.00 4.82 -1.52 -1.26 -2.12 119.66 119.67 2p7m s GLN 101 Ca 0.47 2.34 0.00 0.00 -1.95 0.00 0.00 55.36 56.22 2p7m s GLN 101 Cb -0.07 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 2p7m s GLN 101 CO 0.30 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.34 2p7m n GLY 102 N 1.77 0.65 3.47 3.09 0.00 -1.26 -4.94 105.19 107.98 2p7m n GLY 102 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2p7m n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p7m s GLU 103 N -0.78 3.05 1.19 1.61 2.12 -0.90 -3.18 118.70 121.81 2p7m s GLU 103 Ca 0.00 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.32 2p7m s GLU 103 Cb 0.00 -3.98 0.29 0.00 0.26 0.00 0.00 34.13 30.70 2p7m s GLU 103 CO 0.00 -0.83 1.03 0.20 -0.54 0.00 0.00 175.26 175.11 2p7m s GLY 104 N 1.80 1.52 0.53 -1.50 0.00 -1.26 -4.77 107.32 103.64 2p7m s GLY 104 Ca 0.10 -0.41 -0.19 0.00 0.00 0.00 0.00 44.72 44.21 2p7m s GLY 104 CO 0.12 0.37 1.08 0.50 0.00 0.00 0.00 173.10 175.17 2p7m s ARG 105 N -4.77 3.50 0.04 2.90 0.52 -1.26 -4.60 118.95 115.29 2p7m s ARG 105 Ca 0.68 1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 57.25 2p7m s ARG 105 Cb -0.20 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2p7m s ARG 105 CO 0.61 -0.70 0.19 -1.12 0.02 0.00 0.00 175.30 174.30 2p7m s SER 106 N -2.01 0.05 0.02 0.23 0.01 -1.26 0.53 113.70 111.27 2p7m s SER 106 Ca 0.69 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2p7m s SER 106 Cb -0.20 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 2p7m s SER 106 CO 0.26 -0.56 -0.22 -0.63 0.41 0.00 0.00 173.24 172.50 2p7m s ILE 107 N -2.63 2.47 -0.03 1.44 1.01 -0.03 -4.90 121.20 118.54 2p7m s ILE 107 Ca -0.05 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.45 2p7m s ILE 107 Cb -0.01 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2p7m s ILE 107 CO -0.04 0.42 -0.10 -0.31 0.00 0.00 0.00 174.94 174.91 2p7m s TYR 108 N -0.80 1.03 0.17 3.97 1.51 -1.26 -1.18 117.35 120.78 2p7m s TYR 108 Ca 0.12 -0.25 -0.17 0.00 -1.01 0.00 0.00 57.07 55.76 2p7m s TYR 108 Cb -0.10 -0.72 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2p7m s TYR 108 CO 0.02 -0.10 0.48 -0.59 -1.11 0.00 0.00 175.55 174.26 2p7m s PHE 109 N 0.13 -0.18 0.29 2.71 -0.12 -0.81 -0.54 117.98 119.45 2p7m s PHE 109 Ca -0.02 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 2p7m s PHE 109 Cb -0.08 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 2p7m s PHE 109 CO 0.01 -0.83 0.19 0.71 -0.05 0.00 0.00 175.22 175.25 2p7m s TYR 110 N -3.84 2.92 0.00 3.49 1.51 -0.48 -0.31 117.35 120.65 2p7m s TYR 110 Ca 0.06 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2p7m s TYR 110 Cb 0.00 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2p7m s TYR 110 CO -0.07 0.40 0.00 -0.40 -1.11 0.00 0.00 175.55 174.37 2p7m n ASP 111 N -1.20 0.00 -1.30 2.29 3.85 -0.97 -4.50 116.55 114.72 2p7m n ASP 111 Ca -0.05 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.14 2p7m n ASP 111 Cb 0.59 0.00 0.31 0.00 -1.35 0.00 0.00 41.12 40.67 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 0.99 -2.64 2.11 3.01 -1.26 -4.41 117.46 115.27 2p7m n PHE 112 Ca 0.00 -0.47 -0.11 0.00 1.01 0.00 0.00 57.45 57.88 2p7m n PHE 112 Cb 0.00 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.46 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 1.42 2.12 -1.65 4.37 8.00 -1.26 -4.93 116.55 124.61 2p7m n ASP 113 Ca 0.23 -2.78 -0.16 0.00 0.71 0.00 0.00 54.79 52.79 2p7m n ASP 113 Cb 0.62 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.26 -4.41 -4.57 -2.24 3.02 -1.26 -4.74 115.26 100.81 2p7m n ASN 114 Ca 0.15 0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 2p7m n ASN 114 Cb 0.80 -3.94 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 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 -2.47 3.20 -0.02 3.10 3.76 -1.26 -4.65 115.29 116.95 2p7m s HIS 115 Ca 0.00 0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.90 2p7m s HIS 115 Cb 0.00 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2p7m s HIS 115 CO 0.00 -0.45 0.73 -1.17 -0.85 0.00 0.00 174.74 173.01 2p7m s LEU 116 N 2.28 4.37 0.09 0.89 2.96 -1.26 -2.29 118.68 125.71 2p7m s LEU 116 Ca 0.17 1.30 0.09 0.00 -0.22 0.00 0.00 54.13 55.48 2p7m s LEU 116 Cb -0.16 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 2p7m s LEU 116 CO 0.12 -0.07 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.51 2p7m s PHE 117 N 0.47 2.45 -0.02 5.38 0.40 0.58 -3.93 117.98 123.31 2p7m s PHE 117 Ca 0.38 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2p7m s PHE 117 Cb -0.19 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 2p7m s PHE 117 CO 0.20 0.30 -0.19 -2.00 0.70 0.00 0.00 175.22 174.23 2p7m s GLU 118 N -1.81 1.64 -0.29 0.44 2.12 -0.71 -1.92 118.70 118.17 2p7m s GLU 118 Ca 0.15 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2p7m s GLU 118 Cb -0.10 -1.54 0.06 0.00 0.26 0.00 0.00 34.13 32.80 2p7m s GLU 118 CO 0.07 0.38 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.63 2p7m s LEU 119 N -0.34 3.85 -0.18 2.70 1.43 -0.32 -0.27 118.68 125.54 2p7m s LEU 119 Ca 0.05 -1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 51.67 2p7m s LEU 119 Cb -0.08 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2p7m s LEU 119 CO 0.00 -0.25 0.08 -2.28 0.23 0.00 0.00 176.35 174.12 2p7m s HIS 120 N 1.18 3.29 -1.44 0.29 2.46 0.22 -0.85 115.29 120.44 2p7m s HIS 120 Ca -0.05 0.14 0.23 0.00 0.47 0.00 0.00 55.06 55.85 2p7m s HIS 120 Cb -0.20 -2.08 0.08 0.00 -0.13 0.00 0.00 32.58 30.25 2p7m s HIS 120 CO -0.03 0.21 1.13 0.00 -2.47 0.00 0.00 174.74 173.57 2p7m n ALA 121 N 3.45 3.97 -1.61 1.58 0.00 0.19 -1.87 120.51 126.22 2p7m n ALA 121 Ca -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2p7m n ALA 121 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2p7m n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p7m n GLY 122 N 1.45 -0.15 3.18 0.00 0.00 -1.25 -4.37 105.19 104.05 2p7m n GLY 122 Ca 0.07 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.30 0.68 0.08 2.61 -4.23 -1.26 -4.94 115.64 108.28 2p7m s THR 123 Ca 0.00 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 2p7m s THR 123 Cb 0.00 -1.76 -0.13 0.00 1.34 0.00 0.00 72.50 71.95 2p7m s THR 123 CO 0.00 -0.80 1.34 0.25 -0.54 0.00 0.00 174.62 174.86 2p7m h LEU 124 N 2.92 0.75 -0.35 4.79 5.85 -1.99 -3.01 115.31 124.27 2p7m h LEU 124 Ca -0.35 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 57.83 2p7m h LEU 124 Cb 1.17 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2p7m h LEU 124 CO 0.64 1.17 0.17 -0.08 -0.34 0.00 0.00 178.44 180.00 2p7m h GLU 125 N 0.36 0.35 -0.65 1.25 4.81 -1.97 0.26 114.58 118.99 2p7m h GLU 125 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2p7m h GLU 125 Cb 1.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2p7m h GLU 125 CO 0.10 0.23 0.42 1.49 -0.73 0.00 0.00 179.01 180.51 2p7m h GLU 126 N 0.36 0.81 -0.76 1.92 4.57 -1.85 0.26 114.58 119.88 2p7m h GLU 126 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2p7m h GLU 126 Cb 0.06 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2p7m h GLU 126 CO -0.11 0.54 0.43 -0.09 -1.18 0.00 0.00 179.01 178.60 2p7m h ARG 127 N 0.84 1.06 0.00 1.92 9.65 -1.21 -2.88 114.38 123.76 2p7m h ARG 127 Ca 0.25 -0.12 -0.15 0.00 -1.10 0.00 0.00 59.98 58.87 2p7m h ARG 127 Cb -0.04 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.30 2p7m h ARG 127 CO -0.08 0.77 -0.72 -0.07 2.80 0.00 0.00 179.97 182.68 2p7m h LEU 128 N 1.05 0.00 0.03 3.80 3.38 -0.55 -3.31 115.31 119.71 2p7m h LEU 128 Ca 0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.27 2p7m h LEU 128 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2p7m h LEU 128 CO -0.05 0.71 -0.45 0.50 0.09 0.00 0.00 178.44 179.24 2p7m h LYS 129 N 0.00 -0.59 0.37 1.13 3.64 -0.26 -2.65 116.57 118.21 2p7m h LYS 129 Ca -0.01 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2p7m h LYS 129 Cb 1.55 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2p7m h LYS 129 CO 0.09 -0.40 -0.18 -0.09 -2.27 0.00 0.00 179.45 176.61 2p7m h ARG 130 N -0.62 -0.48 0.00 1.90 2.43 -1.72 -3.52 114.38 112.38 2p7m h ARG 130 Ca 0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2p7m h ARG 130 Cb 0.68 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2p7m h ARG 130 CO -0.31 -0.29 0.00 0.98 -1.51 0.00 0.00 179.97 178.84