#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr7 h VAL 999 N 0.00 1.47 -0.25 0.00 2.07 -2.05 -3.22 116.25 114.27 2gr7 h VAL 999 Ca 0.00 -2.82 -0.07 0.00 0.82 0.00 0.00 66.70 64.62 2gr7 h VAL 999 Cb 0.00 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2gr7 h VAL 999 CO 0.00 0.83 -0.16 0.00 0.02 0.00 0.00 177.57 178.26 2gr7 h ALA 1000N 0.69 1.26 0.30 1.67 0.00 -2.05 -0.98 119.26 120.14 2gr7 h ALA 1000Ca -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2gr7 h ALA 1000Cb 1.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2gr7 h ALA 1000CO 0.18 0.49 -0.14 1.57 0.00 0.00 0.00 179.25 181.34 2gr7 h LYS 1001N 0.40 -0.39 0.00 0.00 -0.00 -1.99 -2.26 116.57 112.33 2gr7 h LYS 1001Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.75 2gr7 h LYS 1001Cb 0.52 0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.84 2gr7 h LYS 1001CO 0.03 -0.26 0.00 0.41 -0.00 0.00 0.00 179.45 179.63 2gr7 n GLY 1002N 0.12 1.19 0.09 0.07 0.00 -1.23 0.05 105.19 105.50 2gr7 n GLY 1002Ca -0.05 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 2gr7 n GLY 1002CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gr7 h VAL 1003N 0.00 1.42 -0.36 1.61 2.07 -1.15 -2.68 116.25 117.16 2gr7 h VAL 1003Ca 0.00 -2.95 -0.16 0.00 0.82 0.00 0.00 66.70 64.41 2gr7 h VAL 1003Cb 0.00 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2gr7 h VAL 1003CO 0.00 0.80 -0.40 0.74 0.02 0.00 0.00 177.57 178.72 2gr7 h THR 1004N 0.00 1.27 0.00 2.57 2.02 -0.84 -2.10 112.91 115.84 2gr7 h THR 1004Ca -0.01 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.53 2gr7 h THR 1004Cb 1.60 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2gr7 h THR 1004CO 0.11 0.52 -0.30 0.78 0.37 0.00 0.00 175.52 177.00 2gr7 h ASN 1005N 0.71 0.00 0.10 4.18 4.21 -0.41 -2.42 115.58 121.96 2gr7 h ASN 1005Ca 0.05 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.38 2gr7 h ASN 1005Cb 1.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.20 2gr7 h ASN 1005CO 0.10 0.30 -0.67 0.25 -1.29 0.00 0.00 177.43 176.12 2gr7 h LEU 1006N 0.00 0.61 -0.15 1.61 5.85 -1.31 -2.11 115.31 119.81 2gr7 h LEU 1006Ca -0.00 -0.37 -0.23 0.00 0.84 0.00 0.00 57.88 58.11 2gr7 h LEU 1006Cb 0.81 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2gr7 h LEU 1006CO 0.04 1.11 -0.90 0.00 -0.34 0.00 0.00 178.44 178.35 2gr7 h ALA 1007N 0.89 0.30 -0.39 1.25 0.00 -1.26 -2.08 119.26 117.97 2gr7 h ALA 1007Ca -0.02 -0.66 0.07 0.00 0.00 0.00 0.00 54.91 54.30 2gr7 h ALA 1007Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2gr7 h ALA 1007CO 0.12 0.72 0.02 0.78 0.00 0.00 0.00 179.25 180.89 2gr7 h GLY 1008N 0.75 0.40 1.10 0.00 0.00 -1.51 -2.46 103.07 101.35 2gr7 h GLY 1008Ca -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2gr7 h GLY 1008CO 0.17 -0.08 0.54 -1.61 0.00 0.00 0.00 176.54 175.56 2gr7 h GLN 1009N 0.12 1.20 -0.33 4.80 4.15 -1.17 -1.33 115.11 122.56 2gr7 h GLN 1009Ca 0.19 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 2gr7 h GLN 1009Cb 0.26 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2gr7 h GLN 1009CO -0.30 0.83 -0.41 0.28 -1.93 0.00 0.00 178.83 177.29 2gr7 h VAL 1010N 1.22 1.28 -0.39 2.39 2.07 -1.32 -1.62 116.25 119.88 2gr7 h VAL 1010Ca 0.32 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.12 2gr7 h VAL 1010Cb -0.06 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2gr7 h VAL 1010CO -0.06 0.52 -0.26 0.78 0.02 0.00 0.00 177.57 178.57 2gr7 h ASN 1011N 0.66 0.83 0.18 0.57 2.35 -1.16 -1.45 115.58 117.55 2gr7 h ASN 1011Ca 0.05 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 2gr7 h ASN 1011Cb 0.98 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2gr7 h ASN 1011CO 0.09 1.04 -0.29 0.78 -1.65 0.00 0.00 177.43 177.40 2gr7 h ASN 1012N 0.69 0.18 0.31 5.81 4.21 -1.20 -3.00 115.58 122.58 2gr7 h ASN 1012Ca 0.09 -0.06 -0.17 0.00 1.21 0.00 0.00 56.30 57.37 2gr7 h ASN 1012Cb 0.78 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2gr7 h ASN 1012CO 0.06 0.48 -0.70 0.25 -1.29 0.00 0.00 177.43 176.23 2gr7 h LEU 1013N 0.16 0.41 -0.29 1.61 5.85 -1.04 -2.21 115.31 119.79 2gr7 h LEU 1013Ca 0.02 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2gr7 h LEU 1013Cb 0.61 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2gr7 h LEU 1013CO 0.04 0.98 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.79 2gr7 h GLU 1014N 0.24 0.08 -0.09 1.25 4.39 -1.14 -0.19 114.58 119.11 2gr7 h GLU 1014Ca -0.02 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2gr7 h GLU 1014Cb 1.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2gr7 h GLU 1014CO 0.12 0.05 -0.47 0.78 -1.16 0.00 0.00 179.01 178.33 2gr7 h GLY 1015N 0.08 0.25 1.41 -3.84 0.00 -1.50 -2.75 103.07 96.72 2gr7 h GLY 1015Ca 0.14 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 2gr7 h GLY 1015CO -0.24 0.23 -0.66 1.70 0.00 0.00 0.00 176.54 177.57 2gr7 h LYS 1016N 0.19 0.60 -0.57 4.80 3.64 -1.09 -2.10 116.57 122.04 2gr7 h LYS 1016Ca 0.01 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2gr7 h LYS 1016Cb 0.91 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2gr7 h LYS 1016CO 0.07 1.06 0.30 0.28 -2.27 0.00 0.00 179.45 178.89 2gr7 h VAL 1017N 0.43 1.19 -0.99 2.00 2.07 -0.96 0.66 116.25 120.66 2gr7 h VAL 1017Ca -0.02 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2gr7 h VAL 1017Cb 1.24 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2gr7 h VAL 1017CO 0.13 0.21 0.64 0.78 0.02 0.00 0.00 177.57 179.35 2gr7 h ASN 1018N 0.77 1.15 -0.09 0.57 4.21 -1.45 -1.31 115.58 119.43 2gr7 h ASN 1018Ca 0.20 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.65 2gr7 h ASN 1018Cb 0.07 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 36.98 2gr7 h ASN 1018CO -0.03 0.85 0.01 0.50 -1.29 0.00 0.00 177.43 177.47 2gr7 h LYS 1019N 1.35 0.16 -0.79 0.81 3.64 -1.05 -1.64 116.57 119.05 2gr7 h LYS 1019Ca 0.36 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.81 2gr7 h LYS 1019Cb -0.13 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.60 2gr7 h LYS 1019CO -0.07 0.39 0.42 0.28 -2.27 0.00 0.00 179.45 178.19 2gr7 h VAL 1020N -0.09 0.82 -0.22 2.00 2.07 -0.71 0.69 116.25 120.81 2gr7 h VAL 1020Ca 0.03 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2gr7 h VAL 1020Cb 0.31 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2gr7 h VAL 1020CO 0.00 0.12 0.14 1.23 0.02 0.00 0.00 177.57 179.08 2gr7 h GLY 1021N 0.67 0.31 0.91 2.17 0.00 -1.11 -0.17 103.07 105.85 2gr7 h GLY 1021Ca 0.40 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2gr7 h GLY 1021CO -0.30 0.10 0.33 0.50 0.00 0.00 0.00 176.54 177.17 2gr7 h LYS 1022N 0.29 0.63 -0.31 4.80 1.57 -0.70 -0.50 116.57 122.34 2gr7 h LYS 1022Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2gr7 h LYS 1022Cb -0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2gr7 h LYS 1022CO -0.03 0.42 -0.10 0.00 -0.57 0.00 0.00 179.45 179.17 2gr7 h ARG 1023N 0.65 0.52 -0.10 3.15 2.47 -0.75 -0.58 114.38 119.74 2gr7 h ARG 1023Ca 0.21 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2gr7 h ARG 1023Cb -0.00 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2gr7 h ARG 1023CO -0.08 0.62 0.03 0.00 0.56 0.00 0.00 179.97 181.09 2gr7 h ALA 1024N 1.42 0.13 -0.83 0.04 0.00 -0.50 -1.17 119.26 118.35 2gr7 h ALA 1024Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2gr7 h ALA 1024Cb 0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2gr7 h ALA 1024CO 0.03 -0.25 0.51 -0.44 0.00 0.00 0.00 179.25 179.10 2gr7 h ASP 1025N -0.04 0.81 -0.45 0.00 3.32 -0.91 -2.45 116.42 116.70 2gr7 h ASP 1025Ca 0.03 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2gr7 h ASP 1025Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2gr7 h ASP 1025CO -0.00 0.53 -0.07 0.00 -1.72 0.00 0.00 179.24 177.98 2gr7 h ALA 1026N 1.38 0.62 -0.45 3.45 0.00 -0.93 -0.83 119.26 122.50 2gr7 h ALA 1026Ca 0.35 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2gr7 h ALA 1026Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2gr7 h ALA 1026CO -0.16 0.47 0.25 0.78 0.00 0.00 0.00 179.25 180.60 2gr7 h GLY 1027N 0.68 0.62 0.99 0.00 0.00 -1.08 -1.12 103.07 103.16 2gr7 h GLY 1027Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2gr7 h GLY 1027CO 0.04 0.15 0.42 -0.84 0.00 0.00 0.00 176.54 176.30 2gr7 h THR 1028N 0.50 1.15 -0.48 4.70 2.02 -1.24 -1.69 112.91 117.87 2gr7 h THR 1028Ca 0.18 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.12 2gr7 h THR 1028Cb 0.04 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2gr7 h THR 1028CO -0.10 0.15 0.23 0.00 0.37 0.00 0.00 175.52 176.18 2gr7 h ALA 1029N 1.24 0.61 -0.36 6.16 0.00 -0.84 0.68 119.26 126.75 2gr7 h ALA 1029Ca 0.24 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2gr7 h ALA 1029Cb -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2gr7 h ALA 1029CO -0.06 -0.13 0.07 0.77 0.00 0.00 0.00 179.25 179.90 2gr7 h SER 1030N 0.45 0.01 -0.34 0.00 0.02 -0.88 -0.98 113.55 111.83 2gr7 h SER 1030Ca 0.22 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 2gr7 h SER 1030Cb 0.14 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2gr7 h SER 1030CO -0.16 0.04 -0.27 0.00 -1.14 0.00 0.00 176.83 175.30 2gr7 h ALA 1031N 1.27 0.77 -0.84 3.77 0.00 -0.92 -1.63 119.26 121.67 2gr7 h ALA 1031Ca 0.17 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2gr7 h ALA 1031Cb 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2gr7 h ALA 1031CO -0.22 0.66 0.54 -0.07 0.00 0.00 0.00 179.25 180.15 2gr7 h LEU 1032N 0.72 0.88 -0.28 0.00 3.38 -0.72 -0.97 115.31 118.32 2gr7 h LEU 1032Ca 0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2gr7 h LEU 1032Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2gr7 h LEU 1032CO 0.07 0.60 0.11 0.00 0.09 0.00 0.00 178.44 179.31 2gr7 h ALA 1033N 1.36 0.37 -0.31 1.53 0.00 -0.96 -3.03 119.26 118.21 2gr7 h ALA 1033Ca 0.34 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2gr7 h ALA 1033Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2gr7 h ALA 1033CO -0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 179.25 178.90 2gr7 h ALA 1034N 0.95 1.08 0.00 0.00 0.00 -1.19 -2.26 119.26 117.84 2gr7 h ALA 1034Ca 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gr7 h ALA 1034Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gr7 h ALA 1034CO -0.01 0.56 -0.02 0.66 0.00 0.00 0.00 179.25 180.45 2gr7 h SER 1035N 0.52 0.00 -0.13 0.00 4.64 -1.12 -2.67 113.55 114.79 2gr7 h SER 1035Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gr7 h SER 1035Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2gr7 h SER 1035CO 0.04 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2gr7 n GLN 1036N -3.91 2.18 -2.00 4.77 1.13 -0.86 -4.88 117.38 113.81 2gr7 n GLN 1036Ca -0.03 -1.74 -0.42 0.00 -1.94 0.00 0.00 57.00 52.87 2gr7 n GLN 1036Cb 0.11 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2gr7 n GLN 1036CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gr7 s LEU 1037N -1.83 4.33 0.74 1.08 1.43 -1.01 -4.92 118.68 118.51 2gr7 s LEU 1037Ca 0.33 2.26 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2gr7 s LEU 1037Cb 0.21 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.94 2gr7 s LEU 1037CO 0.31 -0.92 1.15 -2.84 0.23 0.00 0.00 176.35 174.27 2gr7 s PRO 1038N 3.97 2.20 -0.01 1.29 0.02 -1.26 -5.05 135.00 136.17 2gr7 s PRO 1038Ca 0.74 1.53 0.04 0.00 0.02 0.00 0.00 61.00 63.32 2gr7 s PRO 1038Cb -0.34 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2gr7 s PRO 1038CO 0.30 -1.74 -0.09 -1.14 -0.33 0.00 0.00 177.00 174.00 2gr7 s GLN 1039N -4.21 2.50 0.55 5.54 0.74 -1.26 -4.84 119.66 118.68 2gr7 s GLN 1039Ca 0.69 -0.74 -0.20 0.00 0.05 0.00 0.00 55.36 55.16 2gr7 s GLN 1039Cb -0.24 -2.45 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 2gr7 s GLN 1039CO 0.47 0.60 0.94 0.00 -0.55 0.00 0.00 175.29 176.75 2gr7 n ALA 1040N 1.71 0.08 0.00 1.58 0.00 -1.26 -4.96 120.51 117.66 2gr7 n ALA 1040Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gr7 n ALA 1040Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2gr7 n ALA 1040CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr7 n THR 1041N -1.38 0.00 -4.84 0.00 -2.24 -1.26 -4.91 114.28 99.65 2gr7 n THR 1041Ca 0.12 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 2gr7 n THR 1041Cb 0.45 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.48 2gr7 n THR 1041CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gr7 s MET 1042N -0.85 2.78 0.30 -0.78 -1.94 -1.26 -5.10 119.30 112.46 2gr7 s MET 1042Ca 0.00 -0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 53.00 2gr7 s MET 1042Cb 0.00 -2.47 -0.13 0.00 2.01 0.00 0.00 34.83 34.25 2gr7 s MET 1042CO 0.00 0.50 1.37 -2.30 -0.01 0.00 0.00 175.02 174.58 2gr7 n PRO 1043N 2.67 2.18 -0.83 2.03 -0.02 -1.26 -1.98 135.00 137.79 2gr7 n PRO 1043Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2gr7 n PRO 1043Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2gr7 n PRO 1043CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr7 n GLY 1044N 1.38 1.18 3.80 -1.23 0.00 -0.73 -4.86 105.19 104.73 2gr7 n GLY 1044Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2gr7 n GLY 1044CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr7 s LYS 1045N -0.07 3.05 0.09 1.61 1.02 -0.84 -4.89 119.74 119.72 2gr7 s LYS 1045Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2gr7 s LYS 1045Cb 0.00 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 2gr7 s LYS 1045CO 0.00 0.61 0.10 -1.12 -0.92 0.00 0.00 175.35 174.02 2gr7 s SER 1046N -2.10 5.58 0.00 2.83 0.01 -1.26 -2.17 113.70 116.59 2gr7 s SER 1046Ca 0.27 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.56 2gr7 s SER 1046Cb -0.12 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 2gr7 s SER 1046CO 0.19 0.15 -0.14 -0.32 0.41 0.00 0.00 173.24 173.53 2gr7 s MET 1047N -2.52 1.08 -0.05 12.44 1.75 -0.16 -4.98 119.30 126.86 2gr7 s MET 1047Ca 0.30 -0.57 0.04 0.00 -1.25 0.00 0.00 55.69 54.20 2gr7 s MET 1047Cb -0.12 -1.06 -0.02 0.00 2.84 0.00 0.00 34.83 36.47 2gr7 s MET 1047CO 0.23 0.28 -0.15 0.14 -0.65 0.00 0.00 175.02 174.87 2gr7 s VAL 1048N -0.47 2.97 0.06 10.11 -7.23 -1.26 -1.65 120.40 122.93 2gr7 s VAL 1048Ca 0.04 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2gr7 s VAL 1048Cb -0.06 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2gr7 s VAL 1048CO -0.00 0.58 -0.05 0.00 -0.31 0.00 0.00 175.10 175.32 2gr7 s ALA 1049N -0.61 0.61 0.00 1.32 0.00 -0.00 -5.00 121.76 118.08 2gr7 s ALA 1049Ca 0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 2gr7 s ALA 1049Cb -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2gr7 s ALA 1049CO 0.01 -0.22 0.04 -1.50 0.00 0.00 0.00 175.76 174.09 2gr7 s ILE 1050N -2.88 0.06 -0.01 0.00 2.07 -1.26 -1.96 121.20 117.23 2gr7 s ILE 1050Ca 0.01 -0.52 -0.08 0.00 -1.41 0.00 0.00 60.65 58.65 2gr7 s ILE 1050Cb 0.00 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.37 2gr7 s ILE 1050CO -0.05 -0.29 0.16 0.00 -1.91 0.00 0.00 174.94 172.86 2gr7 s ALA 1051N -0.88 -0.39 0.15 1.50 0.00 -0.43 -4.83 121.76 116.87 2gr7 s ALA 1051Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 51.96 51.95 2gr7 s ALA 1051Cb -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2gr7 s ALA 1051CO -0.00 -0.19 -0.16 0.20 0.00 0.00 0.00 175.76 175.61 2gr7 s GLY 1052N -1.13 1.24 0.20 0.00 0.00 -1.26 -1.45 107.32 104.92 2gr7 s GLY 1052Ca -0.12 -1.41 -0.10 0.00 0.00 0.00 0.00 44.72 43.09 2gr7 s GLY 1052CO 0.02 -1.47 0.36 -1.35 0.00 0.00 0.00 173.10 170.66 2gr7 s SER 1053N -2.63 -0.02 -0.05 1.64 1.04 -0.90 -4.69 113.70 108.09 2gr7 s SER 1053Ca 0.13 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 2gr7 s SER 1053Cb -0.05 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2gr7 s SER 1053CO 0.05 -0.99 0.08 -0.55 0.98 0.00 0.00 173.24 172.81 2gr7 s SER 1054N -3.00 0.56 -0.15 7.02 0.15 -1.26 -1.74 113.70 115.28 2gr7 s SER 1054Ca 0.20 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 2gr7 s SER 1054Cb 0.02 0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.40 2gr7 s SER 1054CO 0.04 -0.20 0.11 -0.47 1.20 0.00 0.00 173.24 173.92 2gr7 s TYR 1055N 1.72 0.08 -1.45 3.44 5.04 0.10 -4.96 117.35 121.33 2gr7 s TYR 1055Ca -0.02 -0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.44 2gr7 s TYR 1055Cb -0.12 -0.58 0.05 0.00 0.35 0.00 0.00 41.96 41.66 2gr7 s TYR 1055CO -0.04 -0.46 0.91 1.04 -1.34 0.00 0.00 175.55 175.66 2gr7 n GLN 1056N 5.29 -5.50 -0.73 4.97 1.13 -1.26 -1.52 117.38 119.76 2gr7 n GLN 1056Ca -0.06 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.62 2gr7 n GLN 1056Cb 0.49 -5.42 0.00 0.00 0.11 0.00 0.00 30.24 25.43 2gr7 n GLN 1056CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr7 n GLY 1057N -1.68 0.86 3.58 1.08 0.00 -1.26 -5.02 105.19 102.75 2gr7 n GLY 1057Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2gr7 n GLY 1057CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gr7 s GLN 1058N -0.27 2.43 0.04 1.61 -1.52 -0.57 -5.09 119.66 116.29 2gr7 s GLN 1058Ca 0.00 -0.80 0.03 0.00 -1.95 0.00 0.00 55.36 52.63 2gr7 s GLN 1058Cb 0.00 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 2gr7 s GLN 1058CO 0.00 0.58 0.02 -0.80 -0.25 0.00 0.00 175.29 174.83 2gr7 s ASN 1059N -1.58 5.17 0.18 5.90 0.01 -1.26 0.01 114.94 123.37 2gr7 s ASN 1059Ca 0.18 -0.06 0.10 0.00 -0.71 0.00 0.00 52.86 52.37 2gr7 s ASN 1059Cb -0.11 -1.32 -0.04 0.00 0.41 0.00 0.00 41.25 40.18 2gr7 s ASN 1059CO 0.09 0.23 -0.15 -0.83 -1.51 0.00 0.00 177.10 174.93 2gr7 s GLY 1060N -1.94 1.72 -0.05 0.66 0.00 -0.71 -1.84 107.32 105.15 2gr7 s GLY 1060Ca 0.23 -1.52 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 2gr7 s GLY 1060CO 0.15 -1.54 0.11 -2.27 0.00 0.00 0.00 173.10 169.55 2gr7 s LEU 1061N -2.73 1.05 0.02 0.66 2.96 -0.70 -2.12 118.68 117.83 2gr7 s LEU 1061Ca 0.23 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2gr7 s LEU 1061Cb -0.09 0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.87 2gr7 s LEU 1061CO 0.13 -0.11 -0.08 0.00 -1.32 0.00 0.00 176.35 174.97 2gr7 s ALA 1062N 0.82 0.61 0.05 5.97 0.00 -0.52 -0.70 121.76 127.99 2gr7 s ALA 1062Ca -0.06 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2gr7 s ALA 1062Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2gr7 s ALA 1062CO -0.04 0.08 -0.19 0.42 0.00 0.00 0.00 175.76 176.04 2gr7 s ILE 1063N -0.71 1.50 -0.03 0.00 1.01 -0.50 -1.32 121.20 121.15 2gr7 s ILE 1063Ca -0.02 -1.19 -0.14 0.00 0.00 0.00 0.00 60.65 59.30 2gr7 s ILE 1063Cb -0.06 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2gr7 s ILE 1063CO 0.00 0.10 0.30 -0.83 0.00 0.00 0.00 174.94 174.51 2gr7 s GLY 1064N -1.29 -0.15 0.11 6.18 0.00 -0.83 -1.58 107.32 109.77 2gr7 s GLY 1064Ca 0.05 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.24 2gr7 s GLY 1064CO 0.02 0.19 -0.21 -1.34 0.00 0.00 0.00 173.10 171.76 2gr7 s VAL 1065N -1.11 1.75 0.12 1.40 -7.23 -0.11 -0.82 120.40 114.40 2gr7 s VAL 1065Ca -0.12 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 2gr7 s VAL 1065Cb -0.05 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 2gr7 s VAL 1065CO 0.03 -0.08 0.22 -0.94 -0.31 0.00 0.00 175.10 174.02 2gr7 s SER 1066N -2.00 0.11 -0.25 4.85 1.04 -0.66 -0.58 113.70 116.21 2gr7 s SER 1066Ca 0.08 -0.79 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 2gr7 s SER 1066Cb -0.10 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.47 2gr7 s SER 1066CO 0.05 -0.80 0.71 -0.60 0.98 0.00 0.00 173.24 173.58 2gr7 s ARG 1067N -3.92 0.84 -0.12 4.02 3.52 -0.76 -0.99 118.95 121.55 2gr7 s ARG 1067Ca 0.11 0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 56.62 2gr7 s ARG 1067Cb 0.04 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 2gr7 s ARG 1067CO -0.05 -0.11 0.04 0.42 -0.81 0.00 0.00 175.30 174.79 2gr7 s ILE 1068N 0.29 4.65 0.82 4.11 1.01 -0.92 -1.71 121.20 129.44 2gr7 s ILE 1068Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 2gr7 s ILE 1068Cb -0.05 -3.01 0.09 0.00 0.01 0.00 0.00 42.46 39.50 2gr7 s ILE 1068CO 0.02 0.57 1.18 -1.54 0.00 0.00 0.00 174.94 175.17 2gr7 n SER 1069N 2.49 0.93 -0.27 3.58 3.41 0.06 -1.77 113.62 122.04 2gr7 n SER 1069Ca -0.18 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 2gr7 n SER 1069Cb 0.54 -1.50 0.40 0.00 -0.26 0.00 0.00 64.21 63.38 2gr7 n SER 1069CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gr7 h ASP 1070N -0.98 0.62 -0.05 4.04 3.32 -1.90 0.02 116.42 121.50 2gr7 h ASP 1070Ca -0.46 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2gr7 h ASP 1070Cb 1.30 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2gr7 h ASP 1070CO 0.45 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.81 2gr7 n ASN 1071N -4.57 0.84 0.00 6.45 0.23 -1.26 -4.37 115.26 112.59 2gr7 n ASN 1071Ca 0.18 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 2gr7 n ASN 1071Cb 0.51 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2gr7 n ASN 1071CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gr7 n GLY 1072N 1.03 1.29 0.07 4.83 0.00 -0.06 -4.90 105.19 107.45 2gr7 n GLY 1072Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2gr7 n GLY 1072CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr7 h LYS 1073N 2.73 0.00 -5.08 1.61 1.57 -1.83 -3.45 116.57 112.12 2gr7 h LYS 1073Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2gr7 h LYS 1073Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2gr7 h LYS 1073CO 0.00 0.80 -0.85 0.08 -0.57 0.00 0.00 179.45 178.90 2gr7 s VAL 1074N -2.70 1.67 -0.08 0.50 1.01 -1.26 -0.96 120.40 118.59 2gr7 s VAL 1074Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2gr7 s VAL 1074Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2gr7 s VAL 1074CO 0.82 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 175.56 2gr7 s ILE 1075N 0.41 1.71 0.09 2.22 1.01 -0.54 -0.76 121.20 125.34 2gr7 s ILE 1075Ca -0.15 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.73 2gr7 s ILE 1075Cb -0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2gr7 s ILE 1075CO 0.06 0.48 -0.07 0.27 0.00 0.00 0.00 174.94 175.68 2gr7 s ILE 1076N 0.32 3.54 -0.02 2.92 -4.36 -0.69 -0.61 121.20 122.30 2gr7 s ILE 1076Ca -0.14 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2gr7 s ILE 1076Cb -0.16 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.92 2gr7 s ILE 1076CO 0.06 0.14 -0.02 -0.13 0.24 0.00 0.00 174.94 175.23 2gr7 s ARG 1077N -2.16 0.39 0.02 0.37 0.52 -0.45 -1.82 118.95 115.81 2gr7 s ARG 1077Ca 0.22 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 2gr7 s ARG 1077Cb -0.11 -0.47 -0.02 0.00 0.52 0.00 0.00 34.95 34.87 2gr7 s ARG 1077CO 0.14 -0.05 -0.11 -0.51 0.02 0.00 0.00 175.30 174.80 2gr7 s LEU 1078N 0.60 2.12 -0.14 2.53 1.43 0.26 -0.11 118.68 125.37 2gr7 s LEU 1078Ca -0.06 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 2gr7 s LEU 1078Cb -0.09 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.70 2gr7 s LEU 1078CO -0.01 0.02 0.39 -0.55 0.23 0.00 0.00 176.35 176.44 2gr7 s SER 1079N -0.81 -0.40 0.05 2.29 0.15 -0.02 -0.94 113.70 114.02 2gr7 s SER 1079Ca 0.00 0.75 0.08 0.00 0.70 0.00 0.00 55.95 57.49 2gr7 s SER 1079Cb -0.06 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 2gr7 s SER 1079CO 0.00 -0.16 -0.22 -0.83 1.20 0.00 0.00 173.24 173.24 2gr7 s GLY 1080N 0.11 1.50 0.06 9.45 0.00 -0.61 -1.27 107.32 116.57 2gr7 s GLY 1080Ca -0.01 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.51 2gr7 s GLY 1080CO 0.01 -1.13 -0.09 -0.51 0.00 0.00 0.00 173.10 171.38 2gr7 s THR 1081N -0.88 0.75 0.18 0.90 -4.23 -0.31 -1.41 115.64 110.65 2gr7 s THR 1081Ca 0.13 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 2gr7 s THR 1081Cb -0.10 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 2gr7 s THR 1081CO 0.04 -0.43 0.10 1.07 -0.54 0.00 0.00 174.62 174.85 2gr7 n THR 1082N 1.10 0.00 -3.82 3.99 5.66 0.12 -1.95 114.28 119.39 2gr7 n THR 1082Ca -0.20 -1.17 -0.10 0.00 -3.05 0.00 0.00 64.05 59.53 2gr7 n THR 1082Cb 0.56 0.49 0.02 0.00 -1.55 0.00 0.00 70.33 69.84 2gr7 n THR 1082CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2gr7 n ASN 1083N -2.03 -2.07 0.00 1.09 0.23 -1.24 -1.71 115.26 109.52 2gr7 n ASN 1083Ca -0.00 -2.61 0.10 0.00 -0.53 0.00 0.00 54.58 51.54 2gr7 n ASN 1083Cb 0.30 3.50 0.47 0.00 -2.08 0.00 0.00 39.78 41.97 2gr7 n ASN 1083CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2gr7 n SER 1084N -1.54 0.00 -0.67 0.53 3.41 -0.77 -1.60 113.62 112.99 2gr7 n SER 1084Ca -0.07 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 2gr7 n SER 1084Cb 0.58 -0.40 0.36 0.00 -0.26 0.00 0.00 64.21 64.49 2gr7 n SER 1084CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gr7 n GLN 1085N -1.40 1.92 -1.47 4.33 1.13 -1.26 -4.97 117.38 115.67 2gr7 n GLN 1085Ca 0.07 -1.34 -0.08 0.00 -1.94 0.00 0.00 57.00 53.71 2gr7 n GLN 1085Cb 0.20 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 2gr7 n GLN 1085CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr7 n GLY 1086N 1.24 0.77 3.66 1.08 0.00 -0.63 -5.02 105.19 106.30 2gr7 n GLY 1086Ca 0.17 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2gr7 n GLY 1086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr7 s LYS 1087N -3.12 4.07 0.05 1.61 -0.14 -1.26 -4.90 119.74 116.05 2gr7 s LYS 1087Ca 0.00 -0.25 0.01 0.00 -1.36 0.00 0.00 55.97 54.36 2gr7 s LYS 1087Cb 0.00 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 2gr7 s LYS 1087CO 0.00 0.04 0.15 0.95 -0.76 0.00 0.00 175.35 175.74 2gr7 s THR 1088N 1.10 5.05 0.08 2.17 -4.23 -1.26 -3.66 115.64 114.90 2gr7 s THR 1088Ca 0.08 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2gr7 s THR 1088Cb -0.14 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 2gr7 s THR 1088CO 0.05 0.17 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.40 2gr7 s GLY 1089N -2.34 0.69 -0.00 3.99 0.00 -0.82 -4.98 107.32 103.85 2gr7 s GLY 1089Ca 0.31 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.93 2gr7 s GLY 1089CO 0.24 -1.21 -0.07 -1.34 0.00 0.00 0.00 173.10 170.72 2gr7 s VAL 1090N -2.68 0.52 -0.01 1.40 -7.23 -1.26 -1.16 120.40 109.98 2gr7 s VAL 1090Ca 0.03 -0.35 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 2gr7 s VAL 1090Cb -0.01 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.48 2gr7 s VAL 1090CO -0.02 0.10 0.18 0.00 -0.31 0.00 0.00 175.10 175.05 2gr7 s ALA 1091N -0.26 -0.45 -0.09 1.32 0.00 -0.40 -5.01 121.76 116.86 2gr7 s ALA 1091Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 2gr7 s ALA 1091Cb -0.03 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2gr7 s ALA 1091CO -0.00 -0.22 0.24 0.00 0.00 0.00 0.00 175.76 175.79 2gr7 s ALA 1092N -1.29 -0.59 0.11 0.00 0.00 -1.26 -0.84 121.76 117.88 2gr7 s ALA 1092Ca -0.14 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2gr7 s ALA 1092Cb -0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2gr7 s ALA 1092CO 0.02 -0.13 -0.07 0.20 0.00 0.00 0.00 175.76 175.78 2gr7 s GLY 1093N 0.32 0.85 -0.02 0.00 0.00 0.85 -4.99 107.32 104.32 2gr7 s GLY 1093Ca -0.02 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 2gr7 s GLY 1093CO -0.01 -1.49 0.05 0.54 0.00 0.00 0.00 173.10 172.19 2gr7 s VAL 1094N -3.57 -0.01 0.08 1.40 0.11 -1.26 -1.34 120.40 115.81 2gr7 s VAL 1094Ca 0.13 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2gr7 s VAL 1094Cb 0.05 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 2gr7 s VAL 1094CO -0.03 0.02 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.83 2gr7 s GLY 1095N 0.23 0.73 -0.08 6.54 0.00 0.22 -4.99 107.32 109.98 2gr7 s GLY 1095Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2gr7 s GLY 1095CO -0.01 -1.11 -0.12 -0.47 0.00 0.00 0.00 173.10 171.39 2gr7 s TYR 1096N -2.08 1.59 0.05 1.90 5.04 -1.26 -1.46 117.35 121.13 2gr7 s TYR 1096Ca 0.00 -0.66 0.09 0.00 -2.44 0.00 0.00 57.07 54.05 2gr7 s TYR 1096Cb -0.05 -1.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.04 2gr7 s TYR 1096CO -0.00 -0.36 -0.23 1.14 -1.34 0.00 0.00 175.55 174.75 2gr7 s GLN 1097N 0.92 1.88 0.00 4.97 -2.07 -0.13 -5.03 119.66 120.21 2gr7 s GLN 1097Ca -0.09 -1.07 0.00 0.00 -1.82 0.00 0.00 55.36 52.37 2gr7 s GLN 1097Cb -0.15 -2.05 0.00 0.00 -1.09 0.00 0.00 33.01 29.72 2gr7 s GLN 1097CO 0.00 0.52 0.00 -2.67 -1.32 0.00 0.00 175.29 171.82