#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 3.73 -0.03 3.17 -1.09 -1.26 -4.92 121.20 120.81 2p7m s ILE 2 Ca 0.00 1.22 0.12 0.00 -2.23 0.00 0.00 60.65 59.75 2p7m s ILE 2 Cb 0.00 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2p7m s ILE 2 CO 0.00 0.07 1.39 0.28 -1.23 0.00 0.00 174.94 175.45 2p7m h SER 3 N 7.05 0.00 -0.55 3.58 0.02 -2.11 -3.50 113.55 118.04 2p7m h SER 3 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2p7m h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2p7m h SER 3 CO 0.85 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.86 2p7m n GLY 4 N 1.24 0.15 3.73 -3.77 0.00 -1.26 -5.10 105.19 100.18 2p7m n GLY 4 Ca 0.01 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 4.48 -0.10 0.99 2.96 -1.26 -4.97 118.68 120.78 2p7m s LEU 5 Ca 0.00 2.01 -0.08 0.00 -0.22 0.00 0.00 54.13 55.85 2p7m s LEU 5 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2p7m s LEU 5 CO 0.00 -0.21 -0.15 -0.24 -1.32 0.00 0.00 176.35 174.43 2p7m n SER 6 N 2.63 1.22 -3.74 3.68 2.88 -1.26 -5.00 113.62 114.02 2p7m n SER 6 Ca 0.03 0.43 -0.03 0.00 -1.33 0.00 0.00 58.87 57.97 2p7m n SER 6 Cb 0.47 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 -1.94 -0.14 -0.05 0.66 -3.43 -1.26 -4.38 115.29 104.76 2p7m s HIS 7 Ca -0.12 -0.16 0.06 0.00 -0.80 0.00 0.00 55.06 54.03 2p7m s HIS 7 Cb 0.02 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.79 2p7m s HIS 7 CO 0.18 -0.81 -0.23 0.42 -2.00 0.00 0.00 174.74 172.31 2p7m s ILE 8 N -3.26 1.88 -0.14 -5.38 1.01 -0.53 -5.01 121.20 109.78 2p7m s ILE 8 Ca 0.12 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2p7m s ILE 8 Cb -0.01 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2p7m s ILE 8 CO 0.02 0.53 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 2p7m s THR 9 N -0.12 2.48 0.06 2.92 2.01 -1.26 -0.34 115.64 121.39 2p7m s THR 9 Ca -0.03 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2p7m s THR 9 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2p7m s THR 9 CO 0.03 0.53 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.48 2p7m s LEU 10 N 0.73 2.20 -0.14 4.42 1.43 -0.21 -4.99 118.68 122.12 2p7m s LEU 10 Ca -0.07 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2p7m s LEU 10 Cb -0.16 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2p7m s LEU 10 CO 0.01 0.21 -0.02 -0.63 0.23 0.00 0.00 176.35 176.15 2p7m s ILE 11 N -0.86 4.05 0.09 -0.59 -1.09 -1.26 -1.16 121.20 120.37 2p7m s ILE 11 Ca 0.11 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2p7m s ILE 11 Cb -0.10 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2p7m s ILE 11 CO 0.03 0.51 -0.09 0.68 -1.23 0.00 0.00 174.94 174.84 2p7m s VAL 12 N 0.12 0.84 0.15 2.92 -7.23 -0.08 -4.90 120.40 112.21 2p7m s VAL 12 Ca 0.00 -1.58 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 2p7m s VAL 12 Cb -0.13 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 2p7m s VAL 12 CO 0.02 -0.57 1.46 0.50 -0.31 0.00 0.00 175.10 176.21 2p7m h LYS 13 N 3.65 0.86 -3.65 4.82 3.64 -1.85 0.38 116.57 124.42 2p7m h LYS 13 Ca -0.37 -0.49 -0.59 0.00 -1.27 0.00 0.00 60.65 57.93 2p7m h LYS 13 Cb 1.19 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 2p7m h LYS 13 CO 0.52 1.13 -0.75 0.34 -2.27 0.00 0.00 179.45 178.42 2p7m s ASP 14 N -6.89 4.08 0.34 4.20 -1.08 -1.26 -4.51 116.67 111.54 2p7m s ASP 14 Ca -0.10 -1.67 0.02 0.00 -0.52 0.00 0.00 52.55 50.27 2p7m s ASP 14 Cb 0.11 -0.92 0.59 0.00 -1.46 0.00 0.00 42.92 41.23 2p7m s ASP 14 CO 0.88 -0.41 1.96 0.25 0.52 0.00 0.00 175.17 178.37 2p7m h LEU 15 N 8.05 0.72 -0.25 -1.34 5.85 -1.94 -1.81 115.31 124.59 2p7m h LEU 15 Ca -0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2p7m h LEU 15 Cb 1.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2p7m h LEU 15 CO 0.47 0.58 0.16 0.78 -0.34 0.00 0.00 178.44 180.09 2p7m h ASN 16 N 0.82 0.29 -0.21 1.25 -0.26 -1.99 0.26 115.58 115.74 2p7m h ASN 16 Ca 0.21 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2p7m h ASN 16 Cb 0.01 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2p7m h ASN 16 CO -0.04 0.23 0.08 0.11 -1.06 0.00 0.00 177.43 176.76 2p7m h LYS 17 N 0.32 0.32 -0.67 0.81 1.57 -1.92 -2.75 116.57 114.25 2p7m h LYS 17 Ca 0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2p7m h LYS 17 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2p7m h LYS 17 CO -0.02 0.38 0.35 1.15 -0.57 0.00 0.00 179.45 180.74 2p7m h THR 18 N 0.19 1.20 -0.32 -0.16 2.02 -1.22 -2.35 112.91 112.27 2p7m h THR 18 Ca 0.07 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2p7m h THR 18 Cb 0.18 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2p7m h THR 18 CO -0.01 0.23 0.21 0.74 0.37 0.00 0.00 175.52 177.07 2p7m h THR 19 N 0.93 1.09 -0.92 3.16 2.02 -0.69 0.57 112.91 119.07 2p7m h THR 19 Ca 0.23 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2p7m h THR 19 Cb 0.04 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 2p7m h THR 19 CO -0.04 0.08 0.60 0.00 0.37 0.00 0.00 175.52 176.53 2p7m h ALA 20 N 1.12 1.31 0.05 6.16 0.00 -1.23 -0.51 119.26 126.16 2p7m h ALA 20 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2p7m h ALA 20 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2p7m h ALA 20 CO -0.03 0.62 -0.02 0.35 0.00 0.00 0.00 179.25 180.17 2p7m h PHE 21 N 1.26 -0.06 -0.60 0.00 3.57 -0.82 0.15 116.94 120.43 2p7m h PHE 21 Ca 0.34 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2p7m h PHE 21 Cb -0.12 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2p7m h PHE 21 CO 0.00 0.04 0.16 -0.07 -2.23 0.00 0.00 178.31 176.21 2p7m h LEU 22 N -0.15 0.87 -0.54 0.59 3.38 -0.52 -1.88 115.31 117.06 2p7m h LEU 22 Ca -0.01 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 2p7m h LEU 22 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2p7m h LEU 22 CO 0.01 0.84 -0.59 1.56 0.09 0.00 0.00 178.44 180.35 2p7m h GLN 23 N 0.90 0.44 0.22 1.13 4.20 -0.97 -1.73 115.11 119.30 2p7m h GLN 23 Ca 0.20 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2p7m h GLN 23 Cb 0.30 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2p7m h GLN 23 CO -0.00 0.90 -0.11 -0.91 -0.67 0.00 0.00 178.83 178.05 2p7m h ASN 24 N 0.33 -0.25 0.50 1.46 2.35 -0.70 -2.93 115.58 116.35 2p7m h ASN 24 Ca -0.00 -0.27 -0.30 0.00 -0.55 0.00 0.00 56.30 55.18 2p7m h ASN 24 Cb 1.13 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2p7m h ASN 24 CO 0.10 0.26 -1.50 -0.29 -1.65 0.00 0.00 177.43 174.36 2p7m h ILE 25 N -0.90 1.18 -0.58 2.81 6.09 -1.48 -3.36 117.51 121.26 2p7m h ILE 25 Ca -0.03 -2.84 0.00 0.00 -1.37 0.00 0.00 64.86 60.62 2p7m h ILE 25 Cb 0.50 2.74 0.00 0.00 0.47 0.00 0.00 36.82 40.53 2p7m h ILE 25 CO 0.05 0.81 0.00 0.49 -3.07 0.00 0.00 178.15 176.43 2p7m n PHE 26 N -3.41 0.88 -3.71 2.19 0.99 -0.71 -4.94 117.46 108.73 2p7m n PHE 26 Ca -0.15 -0.53 -0.27 0.00 -0.00 0.00 0.00 57.45 56.50 2p7m n PHE 26 Cb 1.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 39.48 39.43 2p7m n PHE 26 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2p7m n ASN 27 N 1.14 -2.60 -4.73 4.37 5.03 -1.10 -4.73 115.26 112.64 2p7m n ASN 27 Ca 0.20 -0.60 -0.40 0.00 0.87 0.00 0.00 54.58 54.65 2p7m n ASN 27 Cb 0.60 -2.20 0.02 0.00 -1.02 0.00 0.00 39.78 37.18 2p7m n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2p7m n ALA 28 N -3.64 1.61 -3.57 5.41 0.00 -0.82 -4.94 120.51 114.55 2p7m n ALA 28 Ca 0.04 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 2p7m n ALA 28 Cb 0.50 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 2p7m n ALA 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2p7m s GLU 29 N -2.39 2.49 0.02 0.00 2.12 -0.89 -4.60 118.70 115.47 2p7m s GLU 29 Ca 0.62 -1.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 2p7m s GLU 29 Cb -0.47 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 30.64 2p7m s GLU 29 CO 0.57 -0.61 1.41 -2.00 -0.54 0.00 0.00 175.26 174.09 2p7m s GLU 30 N 1.28 4.29 0.00 4.30 2.12 -1.26 -0.87 118.70 128.56 2p7m s GLU 30 Ca -0.04 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.29 2p7m s GLU 30 Cb -0.19 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.67 2p7m s GLU 30 CO -0.01 -0.56 0.40 0.44 -0.54 0.00 0.00 175.26 175.00 2p7m n ILE 31 N 4.54 0.01 -3.59 -3.70 -5.35 -0.31 -4.96 119.36 106.00 2p7m n ILE 31 Ca 0.13 -0.40 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 2p7m n ILE 31 Cb 0.43 1.20 -0.06 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.01 -0.54 -0.18 4.28 5.04 -1.19 -4.94 117.35 119.81 2p7m s TYR 32 Ca 0.00 1.09 -0.16 0.00 -2.44 0.00 0.00 57.07 55.57 2p7m s TYR 32 Cb 0.00 0.39 0.05 0.00 0.35 0.00 0.00 41.96 42.75 2p7m s TYR 32 CO 0.00 -0.39 0.48 0.45 -1.34 0.00 0.00 175.55 174.75 2p7m s SER 33 N -0.56 -0.52 0.23 4.32 0.15 -1.26 -1.10 113.70 114.96 2p7m s SER 33 Ca -0.03 0.97 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 2p7m s SER 33 Cb -0.02 0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 65.24 2p7m s SER 33 CO 0.02 -0.17 0.38 -0.94 1.20 0.00 0.00 173.24 173.73 2p7m s SER 34 N 0.47 -0.02 0.00 5.45 1.04 0.14 -5.00 113.70 115.78 2p7m s SER 34 Ca -0.02 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2p7m s SER 34 Cb -0.04 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2p7m s SER 34 CO -0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2p7m n GLY 35 N -0.35 3.70 3.15 7.32 0.00 -1.26 -1.15 105.19 116.59 2p7m n GLY 35 Ca -0.01 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.86 0.34 1.61 2.15 0.23 -4.91 116.67 115.24 2p7m s ASP 36 Ca 0.00 0.30 0.04 0.00 0.43 0.00 0.00 52.55 53.32 2p7m s ASP 36 Cb 0.00 1.63 0.66 0.00 -0.30 0.00 0.00 42.92 44.91 2p7m s ASP 36 CO 0.00 -0.16 1.96 0.50 -0.17 0.00 0.00 175.17 177.30 2p7m h LYS 37 N 7.78 0.83 0.00 4.34 3.64 -1.96 0.14 116.57 131.34 2p7m h LYS 37 Ca -0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2p7m h LYS 37 Cb 1.17 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2p7m h LYS 37 CO 0.02 0.55 0.00 0.25 -2.27 0.00 0.00 179.45 178.00 2p7m n THR 38 N -4.47 0.91 0.40 1.00 -2.24 -1.26 -1.36 114.28 107.27 2p7m n THR 38 Ca 0.11 0.28 0.08 0.00 -2.27 0.00 0.00 64.05 62.25 2p7m n THR 38 Cb 0.18 -1.19 0.10 0.00 -2.10 0.00 0.00 70.33 67.32 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 -2.08 0.16 -3.61 4.78 7.35 0.38 -4.97 117.46 119.46 2p7m n PHE 39 Ca 0.02 -0.13 -0.23 0.00 -0.76 0.00 0.00 57.45 56.35 2p7m n PHE 39 Cb 0.19 -0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.09 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 0.85 -4.78 -4.05 -2.13 7.64 -0.46 -4.99 113.62 105.70 2p7m n SER 40 Ca 0.11 -0.61 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 2p7m n SER 40 Cb 0.40 -4.83 -0.16 0.00 -1.01 0.00 0.00 64.21 58.62 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 -7.04 2.03 0.62 -3.43 1.43 -0.64 -5.02 118.68 106.63 2p7m s LEU 41 Ca 0.42 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 2p7m s LEU 41 Cb -0.19 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2p7m s LEU 41 CO 0.75 -0.06 1.13 -0.94 0.23 0.00 0.00 176.35 177.46 2p7m s SER 42 N 1.39 5.24 0.40 2.29 1.04 -1.26 -0.60 113.70 122.20 2p7m s SER 42 Ca 0.03 2.11 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 2p7m s SER 42 Cb -0.14 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.33 2p7m s SER 42 CO -0.11 -1.54 1.27 -0.54 0.98 0.00 0.00 173.24 173.30 2p7m s LYS 43 N -3.77 4.00 -0.08 4.02 1.02 -1.26 -4.21 119.74 119.46 2p7m s LYS 43 Ca 0.70 2.08 -0.13 0.00 0.02 0.00 0.00 55.97 58.63 2p7m s LYS 43 Cb -0.23 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2p7m s LYS 43 CO 0.37 -0.44 0.34 -2.00 -0.92 0.00 0.00 175.35 172.69 2p7m s GLU 44 N -2.23 0.52 0.01 1.68 2.12 -0.30 -1.22 118.70 119.27 2p7m s GLU 44 Ca 0.57 0.21 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 2p7m s GLU 44 Cb -0.36 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.26 2p7m s GLU 44 CO 0.46 -0.11 0.06 0.15 -0.54 0.00 0.00 175.26 175.29 2p7m s LYS 45 N -0.45 0.37 -0.04 4.30 1.02 -0.37 -0.68 119.74 123.89 2p7m s LYS 45 Ca -0.06 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2p7m s LYS 45 Cb -0.04 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2p7m s LYS 45 CO 0.02 -0.08 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.15 2p7m s PHE 46 N -1.24 2.62 0.10 3.18 2.99 -0.26 -0.80 117.98 124.56 2p7m s PHE 46 Ca -0.13 -0.22 0.04 0.00 0.00 0.00 0.00 56.93 56.61 2p7m s PHE 46 Cb -0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 43.02 41.31 2p7m s PHE 46 CO 0.00 0.14 -0.11 -0.06 -0.00 0.00 0.00 175.22 175.19 2p7m s PHE 47 N -0.70 1.13 -0.25 0.36 0.40 0.81 -1.16 117.98 118.57 2p7m s PHE 47 Ca 0.11 -0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 2p7m s PHE 47 Cb -0.10 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2p7m s PHE 47 CO 0.00 0.03 0.04 -1.17 0.70 0.00 0.00 175.22 174.82 2p7m s LEU 48 N -2.45 3.35 -0.21 -0.37 1.98 -0.05 -0.81 118.68 120.11 2p7m s LEU 48 Ca 0.06 -0.33 -0.00 0.00 -2.89 0.00 0.00 54.13 50.97 2p7m s LEU 48 Cb -0.03 -1.87 0.05 0.00 0.66 0.00 0.00 46.19 45.01 2p7m s LEU 48 CO 0.01 -0.05 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.74 2p7m s ILE 49 N 1.56 1.29 -1.45 6.68 1.01 0.02 -2.09 121.20 128.22 2p7m s ILE 49 Ca 0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2p7m s ILE 49 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.77 2p7m s ILE 49 CO 0.02 -0.05 0.34 0.00 0.00 0.00 0.00 174.94 175.25 2p7m n ALA 50 N 4.78 -1.97 -0.91 9.38 0.00 -1.26 0.18 120.51 130.70 2p7m n ALA 50 Ca -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2p7m n ALA 50 Cb 0.46 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.08 0.94 3.85 0.00 0.00 -1.26 -5.01 105.19 101.62 2p7m n GLY 51 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 4.23 -0.44 0.99 1.43 0.13 -5.06 118.68 119.96 2p7m s LEU 52 Ca 0.00 0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 2p7m s LEU 52 Cb 0.00 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2p7m s LEU 52 CO 0.00 0.38 0.85 0.86 0.23 0.00 0.00 176.35 178.67 2p7m s TRP 53 N -1.06 2.99 -0.19 0.29 -0.00 -1.26 -0.80 118.94 118.91 2p7m s TRP 53 Ca 0.17 0.35 -0.02 0.00 -0.00 0.00 0.00 56.10 56.59 2p7m s TRP 53 Cb -0.12 -3.75 -0.01 0.00 -0.00 0.00 0.00 33.47 29.60 2p7m s TRP 53 CO 0.06 -0.98 -0.09 0.42 -0.00 0.00 0.00 176.95 176.36 2p7m s ILE 54 N 3.46 3.09 -0.19 5.86 -1.09 0.01 -1.45 121.20 130.89 2p7m s ILE 54 Ca 0.33 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.08 2p7m s ILE 54 Cb -0.11 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2p7m s ILE 54 CO 0.23 0.47 0.06 0.00 -1.23 0.00 0.00 174.94 174.46 2p7m s ILE 56 N 0.57 2.21 -0.08 0.00 -1.09 0.02 -1.04 121.20 121.78 2p7m s ILE 56 Ca 0.03 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 2p7m s ILE 56 Cb -0.13 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 2p7m s ILE 56 CO 0.01 0.54 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.06 2p7m s MET 57 N 0.89 2.84 -0.03 2.79 -1.94 -0.31 -1.24 119.30 122.30 2p7m s MET 57 Ca -0.05 -0.74 -0.28 0.00 -1.71 0.00 0.00 55.69 52.91 2p7m s MET 57 Cb -0.15 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 2p7m s MET 57 CO -0.03 0.41 0.92 -2.00 -0.01 0.00 0.00 175.02 174.31 2p7m s GLU 58 N -0.19 4.51 -0.03 2.03 2.12 -0.36 -0.90 118.70 125.87 2p7m s GLU 58 Ca -0.01 1.29 -0.31 0.00 0.36 0.00 0.00 54.97 56.31 2p7m s GLU 58 Cb -0.13 -3.47 0.12 0.00 0.26 0.00 0.00 34.13 30.90 2p7m s GLU 58 CO 0.03 -0.06 1.20 0.20 -0.54 0.00 0.00 175.26 176.09 2p7m s GLY 59 N 0.98 -0.36 0.00 -1.50 0.00 0.13 -4.61 107.32 101.96 2p7m s GLY 59 Ca 0.48 0.83 0.25 0.00 0.00 0.00 0.00 44.72 46.28 2p7m s GLY 59 CO 0.24 0.21 1.39 1.22 0.00 0.00 0.00 173.10 176.17 2p7m n ASP 60 N -0.39 1.03 -4.68 1.64 8.00 -1.26 -2.95 116.55 117.94 2p7m n ASP 60 Ca -0.06 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 2p7m n ASP 60 Cb 0.61 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.98 2p7m n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2p7m s SER 61 N -2.68 6.45 -0.05 -2.24 0.15 -1.26 -4.98 113.70 109.10 2p7m s SER 61 Ca 0.18 2.70 0.02 0.00 0.70 0.00 0.00 55.95 59.55 2p7m s SER 61 Cb 0.18 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2p7m s SER 61 CO 0.61 -1.00 -0.10 -0.22 1.20 0.00 0.00 173.24 173.72 2p7m s LEU 62 N 3.20 1.65 0.22 3.45 2.96 -1.26 -4.74 118.68 124.16 2p7m s LEU 62 Ca 0.82 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2p7m s LEU 62 Cb -0.44 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 45.49 2p7m s LEU 62 CO 0.37 0.04 0.49 -1.58 -1.32 0.00 0.00 176.35 174.35 2p7m s GLN 63 N 0.53 3.67 0.64 1.98 2.00 -1.26 -5.07 119.66 122.15 2p7m s GLN 63 Ca -0.10 0.04 -0.15 0.00 -2.00 0.00 0.00 55.36 53.15 2p7m s GLN 63 Cb -0.13 -2.72 -0.01 0.00 0.80 0.00 0.00 33.01 30.95 2p7m s GLN 63 CO 0.02 0.33 1.08 -1.83 -0.50 0.00 0.00 175.29 174.39 2p7m s GLU 64 N -3.06 3.04 0.24 1.67 1.03 -1.26 -4.80 118.70 115.56 2p7m s GLU 64 Ca 0.44 1.23 -0.30 0.00 0.03 0.00 0.00 54.97 56.37 2p7m s GLU 64 Cb -0.11 -1.99 -0.09 0.00 -0.80 0.00 0.00 34.13 31.13 2p7m s GLU 64 CO 0.26 -1.04 1.27 1.03 -1.33 0.00 0.00 175.26 175.45 2p7m s ARG 65 N -4.25 4.43 0.36 -4.83 0.52 -1.26 -5.01 118.95 108.90 2p7m s ARG 65 Ca 0.64 2.04 -0.07 0.00 -0.52 0.00 0.00 55.73 57.81 2p7m s ARG 65 Cb -0.17 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.15 2p7m s ARG 65 CO 0.42 -0.16 0.58 0.95 0.02 0.00 0.00 175.30 177.11 2p7m s THR 66 N -0.35 0.00 -2.21 0.02 -4.23 -1.26 -5.04 115.64 102.57 2p7m s THR 66 Ca 0.53 -1.39 0.18 0.00 -1.18 0.00 0.00 61.69 59.83 2p7m s THR 66 Cb -0.36 -2.72 0.42 0.00 1.34 0.00 0.00 72.50 71.18 2p7m s THR 66 CO 0.42 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.95 2p7m n TYR 67 N -0.56 0.34 -2.17 3.99 9.36 -1.26 -4.79 117.16 122.07 2p7m n TYR 67 Ca -0.02 -0.17 -0.42 0.00 3.32 0.00 0.00 57.90 60.61 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 -1.39 6.81 0.14 2.98 0.01 -1.26 -4.93 114.94 117.30 2p7m s ASN 68 Ca 0.31 2.16 -0.25 0.00 -0.71 0.00 0.00 52.86 54.37 2p7m s ASN 68 Cb 0.17 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.34 2p7m s ASN 68 CO 0.24 -0.76 0.96 -1.38 -1.51 0.00 0.00 177.10 174.66 2p7m s HIS 69 N 2.56 -0.15 -0.05 2.20 -3.43 -1.26 -4.72 115.29 110.44 2p7m s HIS 69 Ca 0.66 -0.14 -0.03 0.00 -0.80 0.00 0.00 55.06 54.75 2p7m s HIS 69 Cb -0.32 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 2p7m s HIS 69 CO 0.27 -0.79 0.09 0.42 -2.00 0.00 0.00 174.74 172.72 2p7m s ILE 70 N -3.25 4.89 -0.11 -5.38 -1.09 -1.25 -5.02 121.20 109.98 2p7m s ILE 70 Ca 0.12 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 2p7m s ILE 70 Cb -0.01 -3.17 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2p7m s ILE 70 CO 0.01 0.47 -0.20 0.00 -1.23 0.00 0.00 174.94 174.00 2p7m s ALA 71 N -1.09 1.95 0.14 9.38 0.00 -1.26 -1.67 121.76 129.21 2p7m s ALA 71 Ca 0.19 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2p7m s ALA 71 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2p7m s ALA 71 CO 0.09 0.07 0.35 -0.06 0.00 0.00 0.00 175.76 176.21 2p7m s PHE 72 N 0.71 3.48 -0.05 0.00 0.40 0.19 -4.91 117.98 117.81 2p7m s PHE 72 Ca -0.11 0.46 -0.21 0.00 -0.60 0.00 0.00 56.93 56.47 2p7m s PHE 72 Cb -0.16 -1.93 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 2p7m s PHE 72 CO 0.02 0.45 0.59 -1.14 0.70 0.00 0.00 175.22 175.84 2p7m s GLN 73 N -2.77 4.35 0.25 0.44 2.00 -1.26 -0.37 119.66 122.29 2p7m s GLN 73 Ca 0.40 0.70 0.02 0.00 -2.00 0.00 0.00 55.36 54.47 2p7m s GLN 73 Cb -0.12 -3.39 -0.04 0.00 0.80 0.00 0.00 33.01 30.27 2p7m s GLN 73 CO 0.26 0.25 0.19 0.96 -0.50 0.00 0.00 175.29 176.45 2p7m s ILE 74 N 0.24 0.00 0.14 -2.34 -4.36 0.17 -4.89 121.20 110.15 2p7m s ILE 74 Ca 0.31 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 2p7m s ILE 74 Cb -0.17 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 2p7m s ILE 74 CO 0.16 0.00 0.25 -1.10 0.24 0.00 0.00 174.94 174.49 2p7m s GLN 75 N -3.87 3.38 0.50 0.37 -1.52 -1.26 -4.06 119.66 113.20 2p7m s GLN 75 Ca 0.40 -0.60 0.17 0.00 -1.95 0.00 0.00 55.36 53.37 2p7m s GLN 75 Cb 0.05 -2.94 1.23 0.00 -0.22 0.00 0.00 33.01 31.13 2p7m s GLN 75 CO 0.18 0.53 2.10 0.66 -0.25 0.00 0.00 175.29 178.51 2p7m h SER 76 N 2.33 0.09 0.39 5.90 4.64 -1.94 -1.02 113.55 123.93 2p7m h SER 76 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2p7m h SER 76 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2p7m h SER 76 CO 0.69 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 176.09 2p7m n GLU 77 N -4.50 0.35 0.00 4.77 4.71 -1.26 -2.90 120.64 121.82 2p7m n GLU 77 Ca 0.01 0.07 0.09 0.00 -0.01 0.00 0.00 57.16 57.33 2p7m n GLU 77 Cb 0.21 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.08 2p7m n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2p7m n GLU 78 N -1.26 1.03 -0.17 3.49 1.02 -0.39 -4.56 120.64 119.80 2p7m n GLU 78 Ca 0.11 -0.42 -0.02 0.00 -0.02 0.00 0.00 57.16 56.81 2p7m n GLU 78 Cb 0.17 -1.40 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.99 0.81 -0.39 2.62 2.07 -1.58 -0.47 116.25 120.29 2p7m h VAL 79 Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2p7m h VAL 79 Cb 0.55 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2p7m h VAL 79 CO 0.00 0.07 0.15 0.44 0.02 0.00 0.00 177.57 178.24 2p7m h ASP 80 N 0.37 0.55 -0.11 0.57 3.32 -1.82 -1.35 116.42 117.95 2p7m h ASP 80 Ca 0.26 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2p7m h ASP 80 Cb 0.29 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2p7m h ASP 80 CO -0.27 0.58 0.05 -0.33 -1.72 0.00 0.00 179.24 177.55 2p7m h GLU 81 N 0.49 0.16 -0.70 3.56 5.08 -1.74 -1.53 114.58 119.90 2p7m h GLU 81 Ca 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2p7m h GLU 81 Cb 0.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2p7m h GLU 81 CO -0.01 0.25 0.39 1.88 -1.00 0.00 0.00 179.01 180.52 2p7m h TYR 82 N 0.03 0.94 -0.41 4.33 -1.99 -1.06 -0.30 116.97 118.51 2p7m h TYR 82 Ca 0.04 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 2p7m h TYR 82 Cb 0.15 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 2p7m h TYR 82 CO -0.02 0.65 0.25 1.15 -0.00 0.00 0.00 178.16 180.19 2p7m h THR 83 N 0.97 1.13 -0.79 -2.88 2.02 -1.03 0.13 112.91 112.46 2p7m h THR 83 Ca 0.25 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2p7m h THR 83 Cb 0.01 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2p7m h THR 83 CO -0.04 0.13 0.37 -0.08 0.37 0.00 0.00 175.52 176.27 2p7m h GLU 84 N 0.54 1.14 -0.41 6.66 4.57 -0.54 -1.42 114.58 125.12 2p7m h GLU 84 Ca 0.15 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2p7m h GLU 84 Cb -0.01 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 2p7m h GLU 84 CO -0.03 0.89 0.12 0.00 -1.18 0.00 0.00 179.01 178.81 2p7m h ARG 85 N 1.13 0.65 -0.57 1.92 3.08 -0.36 -2.79 114.38 117.43 2p7m h ARG 85 Ca 0.27 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2p7m h ARG 85 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2p7m h ARG 85 CO -0.03 0.65 0.08 0.82 -1.07 0.00 0.00 179.97 180.42 2p7m h ILE 86 N 0.53 1.25 -0.29 2.04 2.04 -0.40 -2.49 117.51 120.18 2p7m h ILE 86 Ca 0.13 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2p7m h ILE 86 Cb 0.28 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2p7m h ILE 86 CO -0.00 0.35 0.16 0.11 0.00 0.00 0.00 178.15 178.77 2p7m h LYS 87 N 0.87 0.40 0.00 2.37 1.57 -1.09 -1.59 116.57 119.09 2p7m h LYS 87 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2p7m h LYS 87 Cb 0.40 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2p7m h LYS 87 CO 0.01 0.30 -0.00 0.00 -0.57 0.00 0.00 179.45 179.19 2p7m h ALA 88 N 1.77 1.00 0.00 3.86 0.00 -1.18 -2.83 119.26 121.87 2p7m h ALA 88 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2p7m h ALA 88 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2p7m h ALA 88 CO -0.02 0.00 -0.00 -0.07 0.00 0.00 0.00 179.25 179.16 2p7m h LEU 89 N 0.00 0.00 0.00 0.00 3.38 -1.23 -3.47 115.31 113.99 2p7m h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2p7m h LEU 89 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2p7m h LEU 89 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2p7m n GLY 90 N 1.03 2.59 3.66 0.83 0.00 -1.07 -5.02 105.19 107.21 2p7m n GLY 90 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.15 2.41 0.05 1.61 -7.23 -1.26 -4.95 120.40 107.88 2p7m s VAL 91 Ca 0.00 0.13 -0.31 0.00 -1.81 0.00 0.00 61.98 60.00 2p7m s VAL 91 Cb 0.00 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 2p7m s VAL 91 CO 0.00 -0.17 1.26 -0.70 -0.31 0.00 0.00 175.10 175.18 2p7m s GLU 92 N -4.76 4.39 -0.00 4.82 2.12 -1.26 -4.91 118.70 119.09 2p7m s GLU 92 Ca 0.65 1.84 0.06 0.00 0.36 0.00 0.00 54.97 57.89 2p7m s GLU 92 Cb -0.21 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2p7m s GLU 92 CO 0.59 -0.35 -0.19 1.41 -0.54 0.00 0.00 175.26 176.18 2p7m s MET 93 N 1.32 2.19 0.31 4.30 -2.45 -1.26 -0.98 119.30 122.74 2p7m s MET 93 Ca 0.60 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 2p7m s MET 93 Cb -0.31 -2.20 -0.04 0.00 1.25 0.00 0.00 34.83 33.54 2p7m s MET 93 CO 0.28 0.57 0.51 0.15 1.05 0.00 0.00 175.02 177.58 2p7m s LYS 94 N -1.02 3.50 0.89 4.11 1.02 0.16 -4.98 119.74 123.42 2p7m s LYS 94 Ca 0.12 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.65 2p7m s LYS 94 Cb -0.10 -2.70 0.13 0.00 -0.52 0.00 0.00 37.83 34.63 2p7m s LYS 94 CO 0.02 0.21 1.18 -1.25 -0.92 0.00 0.00 175.35 174.60 2p7m s PRO 95 N -4.08 1.32 0.23 -1.68 0.04 -1.26 -4.64 135.00 124.94 2p7m s PRO 95 Ca 0.40 0.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 2p7m s PRO 95 Cb -0.10 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 2p7m s PRO 95 CO 0.34 -2.03 1.28 -1.91 0.04 0.00 0.00 177.00 174.71 2p7m n GLU 96 N -3.61 1.69 -3.89 4.56 2.13 -1.26 -4.93 120.64 115.33 2p7m n GLU 96 Ca 0.09 0.60 -0.37 0.00 0.66 0.00 0.00 57.16 58.14 2p7m n GLU 96 Cb 0.60 -2.17 -0.06 0.00 0.27 0.00 0.00 31.44 30.08 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 -0.65 3.46 0.43 5.31 3.52 -1.26 -5.07 118.95 124.70 2p7m s ARG 97 Ca 0.68 -0.15 -0.25 0.00 -0.13 0.00 0.00 55.73 55.88 2p7m s ARG 97 Cb -0.71 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 29.41 2p7m s ARG 97 CO 0.53 0.75 1.33 -2.14 -0.81 0.00 0.00 175.30 174.96 2p7m s PRO 98 N -0.94 3.82 0.06 5.12 0.02 -1.26 -5.02 135.00 136.79 2p7m s PRO 98 Ca 0.15 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.34 2p7m s PRO 98 Cb -0.12 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.70 2p7m s PRO 98 CO 0.04 -0.64 0.04 -0.98 -0.33 0.00 0.00 177.00 175.13 2p7m s ARG 99 N -2.37 0.67 0.56 5.54 1.70 -1.26 -5.17 118.95 118.62 2p7m s ARG 99 Ca 0.59 -1.10 0.03 0.00 -0.47 0.00 0.00 55.73 54.78 2p7m s ARG 99 Cb -0.39 0.25 0.05 0.00 -0.57 0.00 0.00 34.95 34.29 2p7m s ARG 99 CO 0.50 -0.16 0.78 0.14 -1.08 0.00 0.00 175.30 175.48 2p7m s VAL 100 N -3.77 2.59 0.41 4.99 -7.23 -1.26 -5.02 120.40 111.11 2p7m s VAL 100 Ca 0.05 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.23 2p7m s VAL 100 Cb 0.06 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 2p7m s VAL 100 CO -0.10 0.00 1.28 -1.58 -0.31 0.00 0.00 175.10 174.40 2p7m s GLN 101 N -4.75 3.95 0.00 4.82 2.00 -1.26 -2.30 119.66 122.13 2p7m s GLN 101 Ca 0.59 2.11 0.00 0.00 -2.00 0.00 0.00 55.36 56.06 2p7m s GLN 101 Cb -0.09 -2.73 0.00 0.00 0.80 0.00 0.00 33.01 30.99 2p7m s GLN 101 CO 0.38 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 2p7m n GLY 102 N 0.66 3.08 3.68 2.59 0.00 -1.26 -4.99 105.19 108.95 2p7m n GLY 102 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.55 4.28 0.83 1.61 2.12 -0.97 -3.32 118.70 122.70 2p7m s GLU 103 Ca 0.00 0.73 -0.13 0.00 0.36 0.00 0.00 54.97 55.94 2p7m s GLU 103 Cb 0.00 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.95 2p7m s GLU 103 CO 0.00 -0.18 1.20 0.20 -0.54 0.00 0.00 175.26 175.94 2p7m s GLY 104 N 1.08 1.63 0.59 -1.50 0.00 -1.26 -4.81 107.32 103.05 2p7m s GLY 104 Ca 0.32 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 44.12 2p7m s GLY 104 CO 0.12 -0.22 1.07 0.50 0.00 0.00 0.00 173.10 174.57 2p7m s ARG 105 N -5.62 3.28 0.11 2.90 0.52 -1.26 -4.66 118.95 114.22 2p7m s ARG 105 Ca 0.64 1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 57.08 2p7m s ARG 105 Cb -0.10 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 2p7m s ARG 105 CO 0.50 -0.85 0.18 -1.12 0.02 0.00 0.00 175.30 174.02 2p7m s SER 106 N -2.54 0.16 -0.05 0.23 0.01 -1.26 -0.92 113.70 109.32 2p7m s SER 106 Ca 0.66 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2p7m s SER 106 Cb -0.18 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 2p7m s SER 106 CO 0.35 -0.75 -0.18 -0.63 0.41 0.00 0.00 173.24 172.43 2p7m s ILE 107 N -3.91 1.54 -0.04 1.44 1.01 -0.48 -4.91 121.20 115.86 2p7m s ILE 107 Ca 0.10 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2p7m s ILE 107 Cb 0.05 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2p7m s ILE 107 CO -0.07 0.44 -0.21 -0.31 0.00 0.00 0.00 174.94 174.79 2p7m s TYR 108 N 0.13 2.01 0.14 3.97 1.51 -1.26 -1.03 117.35 122.81 2p7m s TYR 108 Ca -0.07 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.26 2p7m s TYR 108 Cb -0.13 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.45 2p7m s TYR 108 CO 0.03 -0.15 0.51 -0.59 -1.11 0.00 0.00 175.55 174.25 2p7m s PHE 109 N -0.18 -0.39 0.28 2.71 -0.12 -0.59 -0.66 117.98 119.03 2p7m s PHE 109 Ca -0.00 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 2p7m s PHE 109 Cb -0.11 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2p7m s PHE 109 CO 0.02 -0.77 0.25 0.71 -0.05 0.00 0.00 175.22 175.38 2p7m s TYR 110 N -3.68 3.08 0.00 3.49 1.51 -0.15 -0.02 117.35 121.57 2p7m s TYR 110 Ca 0.01 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 2p7m s TYR 110 Cb 0.00 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2p7m s TYR 110 CO -0.12 0.39 0.00 -0.40 -1.11 0.00 0.00 175.55 174.31 2p7m n ASP 111 N -1.28 0.00 -1.09 2.29 3.85 -0.90 -4.39 116.55 115.03 2p7m n ASP 111 Ca -0.06 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.14 2p7m n ASP 111 Cb 0.58 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.54 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 0.40 -2.48 2.11 3.01 -1.26 -4.47 117.46 114.77 2p7m n PHE 112 Ca 0.00 -0.21 -0.14 0.00 1.01 0.00 0.00 57.45 58.11 2p7m n PHE 112 Cb 0.00 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 3.20 -2.01 4.37 8.00 -1.26 -4.93 116.55 125.34 2p7m n ASP 113 Ca 0.18 -3.01 -0.21 0.00 0.71 0.00 0.00 54.79 52.46 2p7m n ASP 113 Cb 0.59 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -5.74 -4.59 -2.24 3.02 -1.26 -4.72 115.26 99.21 2p7m n ASN 114 Ca 0.25 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.65 2p7m n ASN 114 Cb 0.83 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 35.00 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 -2.91 3.23 -0.07 3.10 3.76 -1.26 -4.68 115.29 116.46 2p7m s HIS 115 Ca 0.00 0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.99 2p7m s HIS 115 Cb 0.00 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 2p7m s HIS 115 CO 0.00 -0.25 0.56 -1.17 -0.85 0.00 0.00 174.74 173.03 2p7m s LEU 116 N 2.01 4.33 -0.03 0.89 2.96 -1.26 -2.12 118.68 125.45 2p7m s LEU 116 Ca 0.13 1.00 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 2p7m s LEU 116 Cb -0.16 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 2p7m s LEU 116 CO 0.10 0.01 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.55 2p7m s PHE 117 N 0.41 2.43 -0.09 5.38 0.40 0.96 -3.87 117.98 123.61 2p7m s PHE 117 Ca 0.30 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 2p7m s PHE 117 Cb -0.17 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.82 2p7m s PHE 117 CO 0.14 -0.02 -0.23 -2.00 0.70 0.00 0.00 175.22 173.81 2p7m s GLU 118 N -0.56 2.82 -0.37 0.44 2.12 -0.67 -1.54 118.70 120.94 2p7m s GLU 118 Ca 0.08 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 2p7m s GLU 118 Cb -0.11 -2.20 0.05 0.00 0.26 0.00 0.00 34.13 32.13 2p7m s GLU 118 CO 0.00 0.22 0.17 -0.51 -0.54 0.00 0.00 175.26 174.61 2p7m s LEU 119 N 0.22 4.65 -0.16 2.70 1.43 -0.20 0.55 118.68 127.88 2p7m s LEU 119 Ca -0.15 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 51.69 2p7m s LEU 119 Cb -0.17 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2p7m s LEU 119 CO 0.07 -0.40 0.05 -2.28 0.23 0.00 0.00 176.35 174.02 2p7m s HIS 120 N 1.45 3.24 -2.16 0.29 2.46 0.50 -1.38 115.29 119.69 2p7m s HIS 120 Ca 0.01 0.09 0.23 0.00 0.47 0.00 0.00 55.06 55.85 2p7m s HIS 120 Cb -0.20 -2.01 0.02 0.00 -0.13 0.00 0.00 32.58 30.26 2p7m s HIS 120 CO 0.04 0.23 1.11 0.00 -2.47 0.00 0.00 174.74 173.65 2p7m n ALA 121 N 3.20 3.43 -2.73 1.58 0.00 -0.10 -0.66 120.51 125.23 2p7m n ALA 121 Ca -0.17 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 2p7m n ALA 121 Cb 0.53 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 1.41 1.28 3.24 0.00 0.00 -1.26 -4.31 105.19 105.55 2p7m n GLY 122 Ca 0.10 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.58 0.35 0.09 2.61 -4.23 -1.26 -4.90 115.64 106.72 2p7m s THR 123 Ca 0.40 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.72 2p7m s THR 123 Cb -0.03 -2.36 -0.11 0.00 1.34 0.00 0.00 72.50 71.34 2p7m s THR 123 CO 0.26 -0.21 1.66 0.25 -0.54 0.00 0.00 174.62 176.04 2p7m h LEU 124 N 2.61 0.16 0.24 4.79 5.85 -1.99 -2.57 115.31 124.40 2p7m h LEU 124 Ca -0.37 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2p7m h LEU 124 Cb 1.23 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2p7m h LEU 124 CO 0.59 0.23 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.28 2p7m h GLU 125 N 0.08 -0.58 -0.76 1.25 3.07 -1.97 -0.21 114.58 115.46 2p7m h GLU 125 Ca 0.04 0.04 0.21 0.00 -0.50 0.00 0.00 59.36 59.15 2p7m h GLU 125 Cb 0.11 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2p7m h GLU 125 CO -0.01 -0.39 0.54 1.49 -1.40 0.00 0.00 179.01 179.25 2p7m h GLU 126 N -0.60 0.05 0.01 2.33 4.57 -1.86 -1.33 114.58 117.74 2p7m h GLU 126 Ca 0.00 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2p7m h GLU 126 Cb 0.58 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2p7m h GLU 126 CO -0.11 0.03 -0.28 -0.09 -1.18 0.00 0.00 179.01 177.38 2p7m h ARG 127 N 0.05 0.17 -0.02 1.92 9.65 -0.87 -3.43 114.38 121.85 2p7m h ARG 127 Ca 0.36 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2p7m h ARG 127 Cb 1.39 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2p7m h ARG 127 CO -0.02 0.96 0.00 1.28 2.80 0.00 0.00 179.97 184.99