#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 1.41 -0.70 0.00 2.07 -2.05 -2.40 116.25 114.57 2gr7 h VAL 999 Ca 0.00 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.90 2gr7 h VAL 999 Cb 0.00 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 2gr7 h VAL 999 CO 0.00 0.76 0.16 0.00 0.02 0.00 0.00 177.57 178.51 2gr7 h ALA 1000N 0.67 0.96 0.53 1.67 0.00 -2.05 -1.09 119.26 119.95 2gr7 h ALA 1000Ca -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2gr7 h ALA 1000Cb 1.68 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2gr7 h ALA 1000CO 0.18 0.67 -0.25 -0.22 0.00 0.00 0.00 179.25 179.62 2gr7 h LYS 1001N 1.06 -0.68 0.00 0.00 3.64 -1.99 -2.07 116.57 116.53 2gr7 h LYS 1001Ca 0.22 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2gr7 h LYS 1001Cb 0.38 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2gr7 h LYS 1001CO 0.00 -0.45 0.00 0.41 -2.27 0.00 0.00 179.45 177.14 2gr7 n GLY 1002N -0.49 0.00 0.10 5.01 0.00 -0.91 -0.18 105.19 108.73 2gr7 n GLY 1002Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 1.56 -0.27 1.61 2.07 -1.15 -2.03 116.25 118.04 2gr7 h VAL 1003Ca 0.00 -2.69 -0.18 0.00 0.82 0.00 0.00 66.70 64.65 2gr7 h VAL 1003Cb 0.00 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2gr7 h VAL 1003CO 0.00 0.77 -0.54 0.74 0.02 0.00 0.00 177.57 178.56 2gr7 h THR 1004N 0.00 1.28 0.00 2.57 2.02 -0.62 -2.00 112.91 116.16 2gr7 h THR 1004Ca -0.01 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 2gr7 h THR 1004Cb 1.39 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 2gr7 h THR 1004CO 0.10 0.56 -0.13 -0.55 0.37 0.00 0.00 175.52 175.88 2gr7 h ASN 1005N 0.63 0.00 -0.06 4.18 7.08 -0.56 -2.44 115.58 124.41 2gr7 h ASN 1005Ca 0.02 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.02 2gr7 h ASN 1005Cb 1.14 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.39 2gr7 h ASN 1005CO 0.12 0.13 -0.78 0.25 -2.08 0.00 0.00 177.43 175.07 2gr7 h LEU 1006N 0.00 0.85 -0.37 6.14 5.85 -1.22 -2.24 115.31 124.33 2gr7 h LEU 1006Ca -0.00 -0.56 -0.18 0.00 0.84 0.00 0.00 57.88 57.98 2gr7 h LEU 1006Cb 0.85 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2gr7 h LEU 1006CO 0.02 1.35 -0.51 0.00 -0.34 0.00 0.00 178.44 178.96 2gr7 h ALA 1007N 0.63 0.54 -0.45 1.25 0.00 -1.28 -1.97 119.26 117.97 2gr7 h ALA 1007Ca -0.05 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.43 2gr7 h ALA 1007Cb 1.40 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2gr7 h ALA 1007CO 0.16 0.68 0.09 0.78 0.00 0.00 0.00 179.25 180.96 2gr7 h GLY 1008N 0.78 0.54 1.20 0.00 0.00 -1.53 -2.45 103.07 101.62 2gr7 h GLY 1008Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gr7 h GLY 1008CO 0.11 -0.05 0.45 -1.61 0.00 0.00 0.00 176.54 175.44 2gr7 h GLN 1009N 0.23 1.05 -0.22 4.80 4.15 -1.11 -1.55 115.11 122.47 2gr7 h GLN 1009Ca 0.22 -0.10 -0.18 0.00 0.77 0.00 0.00 58.65 59.36 2gr7 h GLN 1009Cb 0.28 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2gr7 h GLN 1009CO -0.29 0.75 -0.58 0.28 -1.93 0.00 0.00 178.83 177.07 2gr7 h VAL 1010N 1.07 1.30 -0.28 2.39 2.07 -1.28 -1.82 116.25 119.70 2gr7 h VAL 1010Ca 0.28 -1.80 -0.12 0.00 0.82 0.00 0.00 66.70 65.87 2gr7 h VAL 1010Cb -0.02 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2gr7 h VAL 1010CO -0.05 0.57 -0.34 0.78 0.02 0.00 0.00 177.57 178.55 2gr7 h ASN 1011N 0.53 0.63 0.22 0.57 2.35 -1.22 -1.50 115.58 117.17 2gr7 h ASN 1011Ca 0.00 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 2gr7 h ASN 1011Cb 1.16 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2gr7 h ASN 1011CO 0.12 0.92 -0.36 0.78 -1.65 0.00 0.00 177.43 177.24 2gr7 h ASN 1012N 0.51 0.21 0.23 5.81 4.21 -1.25 -3.01 115.58 122.30 2gr7 h ASN 1012Ca 0.06 -0.08 -0.19 0.00 1.21 0.00 0.00 56.30 57.30 2gr7 h ASN 1012Cb 0.83 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.97 2gr7 h ASN 1012CO 0.07 0.57 -0.74 0.25 -1.29 0.00 0.00 177.43 176.29 2gr7 h LEU 1013N 0.18 0.52 -0.38 1.61 5.85 -1.11 -2.20 115.31 119.78 2gr7 h LEU 1013Ca 0.02 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2gr7 h LEU 1013Cb 0.73 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2gr7 h LEU 1013CO 0.06 1.09 0.03 -0.08 -0.34 0.00 0.00 178.44 179.19 2gr7 h GLU 1014N 0.29 0.13 -0.07 1.25 4.57 -1.18 0.91 114.58 120.48 2gr7 h GLU 1014Ca -0.03 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2gr7 h GLU 1014Cb 1.32 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2gr7 h GLU 1014CO 0.13 0.09 -0.54 0.78 -1.18 0.00 0.00 179.01 178.28 2gr7 h GLY 1015N 0.14 0.24 1.35 1.92 0.00 -1.49 -2.94 103.07 102.28 2gr7 h GLY 1015Ca 0.18 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 2gr7 h GLY 1015CO -0.28 0.24 -0.55 1.70 0.00 0.00 0.00 176.54 177.65 2gr7 h LYS 1016N 0.17 0.68 -0.67 4.80 3.64 -0.95 -2.19 116.57 122.05 2gr7 h LYS 1016Ca 0.00 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2gr7 h LYS 1016Cb 1.01 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2gr7 h LYS 1016CO 0.08 1.05 0.38 0.28 -2.27 0.00 0.00 179.45 178.97 2gr7 h VAL 1017N 0.52 1.21 -0.69 2.00 2.07 -0.80 0.69 116.25 121.25 2gr7 h VAL 1017Ca 0.01 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2gr7 h VAL 1017Cb 1.12 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2gr7 h VAL 1017CO 0.11 0.22 0.29 0.78 0.02 0.00 0.00 177.57 179.00 2gr7 h ASN 1018N 0.92 0.92 -0.09 0.57 4.21 -1.47 -1.17 115.58 119.47 2gr7 h ASN 1018Ca 0.24 -0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 2gr7 h ASN 1018Cb 0.03 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 36.99 2gr7 h ASN 1018CO -0.04 0.81 -0.00 0.50 -1.29 0.00 0.00 177.43 177.41 2gr7 h LYS 1019N 0.99 0.16 -0.72 0.81 3.64 -1.09 -1.59 116.57 118.77 2gr7 h LYS 1019Ca 0.24 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 2gr7 h LYS 1019Cb 0.16 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 2gr7 h LYS 1019CO -0.02 0.42 0.35 0.28 -2.27 0.00 0.00 179.45 178.21 2gr7 h VAL 1020N -0.12 0.82 -0.31 2.00 2.07 -0.66 0.69 116.25 120.73 2gr7 h VAL 1020Ca 0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2gr7 h VAL 1020Cb 0.35 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2gr7 h VAL 1020CO 0.00 0.11 0.20 1.23 0.02 0.00 0.00 177.57 179.13 2gr7 h GLY 1021N 0.58 0.44 1.00 2.17 0.00 -1.13 0.48 103.07 106.61 2gr7 h GLY 1021Ca 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2gr7 h GLY 1021CO -0.29 0.17 0.34 0.50 0.00 0.00 0.00 176.54 177.26 2gr7 h LYS 1022N 0.42 0.67 -0.34 4.80 1.57 -0.77 -0.95 116.57 121.97 2gr7 h LYS 1022Ca 0.11 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2gr7 h LYS 1022Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2gr7 h LYS 1022CO -0.02 0.44 -0.03 0.00 -0.57 0.00 0.00 179.45 179.27 2gr7 h ARG 1023N 0.69 0.54 0.09 3.15 2.47 -0.70 -0.76 114.38 119.86 2gr7 h ARG 1023Ca 0.19 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2gr7 h ARG 1023Cb -0.08 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2gr7 h ARG 1023CO -0.04 0.59 -0.04 0.00 0.56 0.00 0.00 179.97 181.04 2gr7 h ALA 1024N 1.46 -0.12 -0.81 0.04 0.00 -0.48 -0.99 119.26 118.37 2gr7 h ALA 1024Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2gr7 h ALA 1024Cb 0.38 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2gr7 h ALA 1024CO 0.02 -0.49 0.51 -0.44 0.00 0.00 0.00 179.25 178.85 2gr7 h ASP 1025N -0.27 0.83 -0.51 0.00 3.32 -1.03 -2.38 116.42 116.38 2gr7 h ASP 1025Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2gr7 h ASP 1025Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2gr7 h ASP 1025CO 0.02 0.56 0.19 0.00 -1.72 0.00 0.00 179.24 178.29 2gr7 h ALA 1026N 1.35 0.66 -0.26 3.45 0.00 -0.98 -0.82 119.26 122.66 2gr7 h ALA 1026Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2gr7 h ALA 1026Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gr7 h ALA 1026CO -0.13 0.28 0.14 0.78 0.00 0.00 0.00 179.25 180.32 2gr7 h GLY 1027N 0.68 0.35 0.62 0.00 0.00 -0.96 -0.91 103.07 102.86 2gr7 h GLY 1027Ca 0.17 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.45 2gr7 h GLY 1027CO -0.01 0.09 0.24 -0.84 0.00 0.00 0.00 176.54 176.02 2gr7 h THR 1028N 0.30 0.89 -0.65 4.70 2.02 -1.28 -1.73 112.91 117.17 2gr7 h THR 1028Ca 0.10 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.19 2gr7 h THR 1028Cb 0.01 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 2gr7 h THR 1028CO -0.06 0.08 0.35 0.00 0.37 0.00 0.00 175.52 176.27 2gr7 h ALA 1029N 1.32 0.86 -0.24 6.16 0.00 -0.78 0.50 119.26 127.09 2gr7 h ALA 1029Ca 0.25 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2gr7 h ALA 1029Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2gr7 h ALA 1029CO -0.20 0.02 -0.00 0.77 0.00 0.00 0.00 179.25 179.83 2gr7 h SER 1030N 0.65 -0.10 0.07 0.00 0.02 -0.77 -1.56 113.55 111.86 2gr7 h SER 1030Ca 0.29 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2gr7 h SER 1030Cb 0.19 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2gr7 h SER 1030CO -0.19 -0.02 -0.43 0.00 -1.14 0.00 0.00 176.83 175.05 2gr7 h ALA 1031N 1.20 0.91 -0.77 3.77 0.00 -0.84 -1.43 119.26 122.10 2gr7 h ALA 1031Ca 0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2gr7 h ALA 1031Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2gr7 h ALA 1031CO -0.19 0.64 0.38 -0.07 0.00 0.00 0.00 179.25 180.01 2gr7 h LEU 1032N 0.37 1.00 -0.15 0.00 3.38 -0.80 -0.58 115.31 118.52 2gr7 h LEU 1032Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2gr7 h LEU 1032Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2gr7 h LEU 1032CO 0.08 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.51 2gr7 h ALA 1033N 1.19 0.19 -0.50 1.53 0.00 -0.98 -3.08 119.26 117.61 2gr7 h ALA 1033Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2gr7 h ALA 1033Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2gr7 h ALA 1033CO -0.03 -0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.11 2gr7 h ALA 1034N 0.91 1.29 0.00 0.00 0.00 -1.16 -2.06 119.26 118.24 2gr7 h ALA 1034Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2gr7 h ALA 1034Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gr7 h ALA 1034CO -0.00 0.50 -0.02 0.66 0.00 0.00 0.00 179.25 180.38 2gr7 h SER 1035N 0.73 0.00 -0.18 0.00 4.64 -1.02 -2.66 113.55 115.06 2gr7 h SER 1035Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2gr7 h SER 1035Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2gr7 h SER 1035CO -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2gr7 n GLN 1036N -3.29 2.16 -1.81 4.77 1.13 -0.78 -4.91 117.38 114.65 2gr7 n GLN 1036Ca -0.02 -1.96 -0.42 0.00 -1.94 0.00 0.00 57.00 52.65 2gr7 n GLN 1036Cb 0.14 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.60 4.39 0.74 1.08 1.43 -1.00 -4.92 118.68 118.80 2gr7 s LEU 1037Ca 0.30 2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 55.83 2gr7 s LEU 1037Cb 0.19 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.91 2gr7 s LEU 1037CO 0.28 -0.98 1.13 -2.84 0.23 0.00 0.00 176.35 174.17 2gr7 s PRO 1038N 3.52 2.28 0.06 1.29 0.02 -1.26 -5.06 135.00 135.85 2gr7 s PRO 1038Ca 0.80 1.43 0.06 0.00 0.02 0.00 0.00 61.00 63.31 2gr7 s PRO 1038Cb -0.41 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 2gr7 s PRO 1038CO 0.36 -1.66 -0.10 -1.14 -0.33 0.00 0.00 177.00 174.12 2gr7 s GLN 1039N -4.34 2.26 0.65 5.54 0.74 -1.26 -4.84 119.66 118.41 2gr7 s GLN 1039Ca 0.67 -0.92 -0.18 0.00 0.05 0.00 0.00 55.36 54.99 2gr7 s GLN 1039Cb -0.22 -2.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.52 2gr7 s GLN 1039CO 0.48 0.54 1.09 0.00 -0.55 0.00 0.00 175.29 176.86 2gr7 n ALA 1040N 1.11 0.46 -0.03 1.58 0.00 -1.26 -4.96 120.51 117.41 2gr7 n ALA 1040Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2gr7 n ALA 1040Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.01 0.00 -4.96 0.00 -2.24 -1.26 -4.92 114.28 98.89 2gr7 n THR 1041Ca 0.15 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 2gr7 n THR 1041Cb 0.48 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.63 2.78 0.30 -0.78 -1.94 -1.26 -5.10 119.30 112.68 2gr7 s MET 1042Ca 0.00 -0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 52.94 2gr7 s MET 1042Cb 0.00 -2.40 -0.13 0.00 2.01 0.00 0.00 34.83 34.32 2gr7 s MET 1042CO 0.00 0.44 1.35 -2.30 -0.01 0.00 0.00 175.02 174.50 2gr7 n PRO 1043N 2.85 2.14 -0.96 2.03 -0.02 -1.26 -1.99 135.00 137.78 2gr7 n PRO 1043Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2gr7 n PRO 1043Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.37 0.89 3.82 -1.23 0.00 -0.46 -4.86 105.19 104.72 2gr7 n GLY 1044Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 3.06 0.09 1.61 1.02 -0.84 -4.90 119.74 119.71 2gr7 s LYS 1045Ca 0.00 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.42 2gr7 s LYS 1045Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2gr7 s LYS 1045CO 0.00 0.58 0.04 -1.12 -0.92 0.00 0.00 175.35 173.93 2gr7 s SER 1046N -2.45 5.25 0.01 2.83 0.01 -1.26 -1.93 113.70 116.16 2gr7 s SER 1046Ca 0.31 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.51 2gr7 s SER 1046Cb -0.12 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 2gr7 s SER 1046CO 0.24 0.16 -0.17 -0.32 0.41 0.00 0.00 173.24 173.56 2gr7 s MET 1047N -2.41 1.25 -0.08 12.44 1.75 0.02 -4.98 119.30 127.28 2gr7 s MET 1047Ca 0.28 -0.72 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 2gr7 s MET 1047Cb -0.12 -1.26 -0.02 0.00 2.84 0.00 0.00 34.83 36.26 2gr7 s MET 1047CO 0.20 0.33 -0.10 0.14 -0.65 0.00 0.00 175.02 174.94 2gr7 s VAL 1048N -0.60 3.36 0.06 10.11 -7.23 -1.26 -1.97 120.40 122.87 2gr7 s VAL 1048Ca 0.06 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2gr7 s VAL 1048Cb -0.07 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 2gr7 s VAL 1048CO 0.00 0.57 -0.08 0.00 -0.31 0.00 0.00 175.10 175.28 2gr7 s ALA 1049N -0.41 0.74 0.02 1.32 0.00 0.04 -5.00 121.76 118.47 2gr7 s ALA 1049Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2gr7 s ALA 1049Cb -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2gr7 s ALA 1049CO 0.02 -0.07 -0.04 -1.50 0.00 0.00 0.00 175.76 174.17 2gr7 s ILE 1050N -2.04 0.24 -0.02 0.00 2.07 -1.26 -1.50 121.20 118.69 2gr7 s ILE 1050Ca -0.03 -0.78 -0.11 0.00 -1.41 0.00 0.00 60.65 58.32 2gr7 s ILE 1050Cb -0.05 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.22 2gr7 s ILE 1050CO -0.01 -0.35 0.24 0.00 -1.91 0.00 0.00 174.94 172.91 2gr7 s ALA 1051N -1.13 -0.58 0.14 1.50 0.00 -0.55 -4.83 121.76 116.31 2gr7 s ALA 1051Ca -0.11 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.14 2gr7 s ALA 1051Cb -0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2gr7 s ALA 1051CO -0.00 -0.22 -0.14 0.20 0.00 0.00 0.00 175.76 175.60 2gr7 s GLY 1052N -1.09 1.15 0.22 0.00 0.00 -1.26 -1.45 107.32 104.90 2gr7 s GLY 1052Ca -0.12 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 2gr7 s GLY 1052CO 0.03 -1.43 0.38 -1.35 0.00 0.00 0.00 173.10 170.73 2gr7 s SER 1053N -2.60 -0.03 -0.06 1.64 1.04 -0.74 -4.68 113.70 108.26 2gr7 s SER 1053Ca 0.12 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2gr7 s SER 1053Cb -0.04 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2gr7 s SER 1053CO 0.04 -1.03 0.11 -0.55 0.98 0.00 0.00 173.24 172.79 2gr7 s SER 1054N -3.02 0.48 -0.16 7.02 0.15 -1.26 -1.73 113.70 115.18 2gr7 s SER 1054Ca 0.23 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 57.05 2gr7 s SER 1054Cb 0.01 0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 2gr7 s SER 1054CO 0.07 -0.20 0.12 -0.47 1.20 0.00 0.00 173.24 173.96 2gr7 s TYR 1055N 1.75 0.04 -1.38 3.44 5.04 0.61 -4.96 117.35 121.89 2gr7 s TYR 1055Ca -0.02 -0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.46 2gr7 s TYR 1055Cb -0.12 -0.56 0.03 0.00 0.35 0.00 0.00 41.96 41.65 2gr7 s TYR 1055CO -0.05 -0.49 1.04 1.04 -1.34 0.00 0.00 175.55 175.76 2gr7 n GLN 1056N 5.29 -6.72 -0.61 4.97 1.13 -1.26 -1.71 117.38 118.47 2gr7 n GLN 1056Ca -0.06 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 2gr7 n GLN 1056Cb 0.49 -5.69 0.00 0.00 0.11 0.00 0.00 30.24 25.16 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 -1.74 1.19 3.65 1.08 0.00 -1.26 -5.02 105.19 103.09 2gr7 n GLY 1057Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.23 2.40 0.09 1.61 -1.52 -0.70 -5.09 119.66 116.22 2gr7 s GLN 1058Ca 0.00 -0.92 0.06 0.00 -1.95 0.00 0.00 55.36 52.55 2gr7 s GLN 1058Cb 0.00 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2gr7 s GLN 1058CO 0.00 0.52 -0.09 -0.80 -0.25 0.00 0.00 175.29 174.68 2gr7 s ASN 1059N -2.34 4.48 0.19 5.90 0.01 -1.26 -0.28 114.94 121.64 2gr7 s ASN 1059Ca 0.25 -0.33 0.11 0.00 -0.71 0.00 0.00 52.86 52.18 2gr7 s ASN 1059Cb -0.11 -0.91 -0.04 0.00 0.41 0.00 0.00 41.25 40.60 2gr7 s ASN 1059CO 0.17 0.19 -0.24 -0.83 -1.51 0.00 0.00 177.10 174.88 2gr7 s GLY 1060N -2.09 1.70 -0.02 0.66 0.00 -0.70 -1.88 107.32 104.98 2gr7 s GLY 1060Ca 0.21 -1.62 -0.00 0.00 0.00 0.00 0.00 44.72 43.31 2gr7 s GLY 1060CO 0.13 -1.64 0.03 -2.27 0.00 0.00 0.00 173.10 169.36 2gr7 s LEU 1061N -2.60 1.31 0.01 0.66 2.96 -0.54 -1.80 118.68 118.68 2gr7 s LEU 1061Ca 0.20 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2gr7 s LEU 1061Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2gr7 s LEU 1061CO 0.10 -0.09 -0.08 0.00 -1.32 0.00 0.00 176.35 174.95 2gr7 s ALA 1062N 0.77 0.63 -0.00 5.97 0.00 -0.53 -0.81 121.76 127.80 2gr7 s ALA 1062Ca -0.06 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2gr7 s ALA 1062Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2gr7 s ALA 1062CO -0.02 0.10 -0.21 0.42 0.00 0.00 0.00 175.76 176.05 2gr7 s ILE 1063N -0.59 1.65 -0.01 0.00 1.01 -0.60 -1.48 121.20 121.18 2gr7 s ILE 1063Ca -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2gr7 s ILE 1063Cb -0.05 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 2gr7 s ILE 1063CO 0.00 0.40 0.08 -0.83 0.00 0.00 0.00 174.94 174.59 2gr7 s GLY 1064N -0.65 0.05 0.14 6.18 0.00 -0.56 -1.45 107.32 111.03 2gr7 s GLY 1064Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 44.72 44.82 2gr7 s GLY 1064CO -0.00 -0.17 -0.25 -1.34 0.00 0.00 0.00 173.10 171.34 2gr7 s VAL 1065N -0.83 2.36 0.08 1.40 -7.23 0.61 -0.78 120.40 116.02 2gr7 s VAL 1065Ca -0.09 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2gr7 s VAL 1065Cb -0.05 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2gr7 s VAL 1065CO 0.00 0.05 0.14 -0.94 -0.31 0.00 0.00 175.10 174.05 2gr7 s SER 1066N -2.18 0.20 -0.16 4.85 1.04 -0.83 -0.49 113.70 116.13 2gr7 s SER 1066Ca 0.16 -0.74 -0.20 0.00 0.48 0.00 0.00 55.95 55.65 2gr7 s SER 1066Cb -0.10 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.39 2gr7 s SER 1066CO 0.07 -0.71 0.54 -0.60 0.98 0.00 0.00 173.24 173.52 2gr7 s ARG 1067N -3.88 0.70 -0.12 4.02 3.52 -0.74 -0.80 118.95 121.65 2gr7 s ARG 1067Ca 0.06 0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 56.20 2gr7 s ARG 1067Cb 0.06 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2gr7 s ARG 1067CO -0.10 -0.13 -0.03 0.42 -0.81 0.00 0.00 175.30 174.65 2gr7 s ILE 1068N -0.13 4.04 0.80 4.11 1.01 -0.81 -1.75 121.20 128.47 2gr7 s ILE 1068Ca -0.03 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 2gr7 s ILE 1068Cb -0.03 -2.73 0.08 0.00 0.01 0.00 0.00 42.46 39.79 2gr7 s ILE 1068CO 0.03 0.55 1.19 -1.54 0.00 0.00 0.00 174.94 175.16 2gr7 n SER 1069N 2.85 1.00 -0.31 3.58 3.41 0.02 -1.36 113.62 122.81 2gr7 n SER 1069Ca -0.18 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2gr7 n SER 1069Cb 0.53 -1.50 0.35 0.00 -0.26 0.00 0.00 64.21 63.32 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 -0.87 0.72 -0.02 4.04 3.32 -1.90 0.49 116.42 122.20 2gr7 h ASP 1070Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.64 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 0.46 0.33 0.00 -0.46 -1.72 0.00 0.00 179.24 177.85 2gr7 n ASN 1071N -4.62 0.58 0.00 6.45 6.94 -1.26 -4.35 115.26 119.00 2gr7 n ASN 1071Ca 0.20 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2gr7 n ASN 1071Cb 0.50 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2gr7 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gr7 n GLY 1072N 1.02 1.19 0.08 4.83 0.00 0.11 -4.91 105.19 107.51 2gr7 n GLY 1072Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 2.92 0.00 -4.88 1.61 1.57 -1.84 -3.45 116.57 112.49 2gr7 h LYS 1073Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 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 0.65 -0.84 0.08 -0.57 0.00 0.00 179.45 178.76 2gr7 s VAL 1074N -2.69 1.55 -0.09 0.50 1.01 -1.26 -1.04 120.40 118.38 2gr7 s VAL 1074Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2gr7 s VAL 1074Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2gr7 s VAL 1074CO 0.82 0.45 -0.21 -0.63 0.00 0.00 0.00 175.10 175.53 2gr7 s ILE 1075N 0.59 1.79 0.07 2.22 1.01 -0.49 -0.80 121.20 125.58 2gr7 s ILE 1075Ca -0.15 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.69 2gr7 s ILE 1075Cb -0.17 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2gr7 s ILE 1075CO 0.05 0.50 -0.08 0.27 0.00 0.00 0.00 174.94 175.68 2gr7 s ILE 1076N 0.41 3.49 -0.02 2.92 -4.36 -0.72 -0.60 121.20 122.32 2gr7 s ILE 1076Ca -0.17 -1.08 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 2gr7 s ILE 1076Cb -0.17 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.96 2gr7 s ILE 1076CO 0.07 0.21 -0.04 -0.13 0.24 0.00 0.00 174.94 175.30 2gr7 s ARG 1077N -1.93 0.52 0.00 0.37 0.52 -0.29 -1.79 118.95 116.35 2gr7 s ARG 1077Ca 0.20 -0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2gr7 s ARG 1077Cb -0.11 -0.56 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 2gr7 s ARG 1077CO 0.12 -0.01 -0.05 -0.51 0.02 0.00 0.00 175.30 174.86 2gr7 s LEU 1078N 0.49 2.06 -0.07 2.53 1.43 0.36 -0.48 118.68 124.99 2gr7 s LEU 1078Ca -0.06 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2gr7 s LEU 1078Cb -0.09 -0.24 0.03 0.00 0.03 0.00 0.00 46.19 45.92 2gr7 s LEU 1078CO -0.00 0.01 0.30 -0.55 0.23 0.00 0.00 176.35 176.34 2gr7 s SER 1079N -0.39 -0.26 -0.00 2.29 0.15 -0.15 -0.28 113.70 115.06 2gr7 s SER 1079Ca -0.00 0.39 0.05 0.00 0.70 0.00 0.00 55.95 57.09 2gr7 s SER 1079Cb -0.03 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2gr7 s SER 1079CO -0.00 -0.24 -0.17 -0.83 1.20 0.00 0.00 173.24 173.19 2gr7 s GLY 1080N -0.45 0.86 0.08 9.45 0.00 -0.53 -1.65 107.32 115.09 2gr7 s GLY 1080Ca -0.06 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.93 2gr7 s GLY 1080CO 0.02 -0.67 -0.13 -0.51 0.00 0.00 0.00 173.10 171.81 2gr7 s THR 1081N -0.48 1.11 0.20 0.90 -4.23 -0.19 -1.55 115.64 111.39 2gr7 s THR 1081Ca 0.06 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 2gr7 s THR 1081Cb -0.07 -1.17 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 2gr7 s THR 1081CO -0.00 -0.31 0.12 1.07 -0.54 0.00 0.00 174.62 174.96 2gr7 n THR 1082N 1.06 0.00 -3.71 3.99 5.66 0.01 -2.01 114.28 119.28 2gr7 n THR 1082Ca -0.20 -1.30 -0.08 0.00 -3.05 0.00 0.00 64.05 59.43 2gr7 n THR 1082Cb 0.55 0.56 0.02 0.00 -1.55 0.00 0.00 70.33 69.91 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 -2.04 -1.83 0.00 1.09 0.23 -1.25 -1.47 115.26 109.99 2gr7 n ASN 1083Ca 0.01 -2.38 0.11 0.00 -0.53 0.00 0.00 54.58 51.78 2gr7 n ASN 1083Cb 0.33 3.08 0.56 0.00 -2.08 0.00 0.00 39.78 41.67 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 -1.48 0.00 -0.85 0.53 3.41 -0.79 -1.67 113.62 112.77 2gr7 n SER 1084Ca -0.06 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 2gr7 n SER 1084Cb 0.50 -0.28 0.27 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.28 2.14 -1.32 4.33 1.13 -1.26 -4.97 117.38 116.15 2gr7 n GLN 1085Ca 0.11 -1.69 -0.11 0.00 -1.94 0.00 0.00 57.00 53.37 2gr7 n GLN 1085Cb 0.18 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.02 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 1.32 1.18 3.64 1.08 0.00 -0.67 -5.00 105.19 106.74 2gr7 n GLY 1086Ca 0.17 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.92 4.07 0.05 1.61 -0.14 -1.26 -4.89 119.74 116.25 2gr7 s LYS 1087Ca 0.00 -0.13 -0.02 0.00 -1.36 0.00 0.00 55.97 54.46 2gr7 s LYS 1087Cb 0.00 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.53 2gr7 s LYS 1087CO 0.00 -0.05 0.23 0.95 -0.76 0.00 0.00 175.35 175.72 2gr7 s THR 1088N 1.38 5.36 0.11 2.17 -4.23 -1.26 -3.76 115.64 115.42 2gr7 s THR 1088Ca 0.11 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.40 2gr7 s THR 1088Cb -0.15 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 2gr7 s THR 1088CO 0.07 0.18 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.41 2gr7 s GLY 1089N -2.33 0.88 0.01 3.99 0.00 -0.85 -4.98 107.32 104.05 2gr7 s GLY 1089Ca 0.34 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.74 2gr7 s GLY 1089CO 0.25 -1.43 -0.06 -1.34 0.00 0.00 0.00 173.10 170.52 2gr7 s VAL 1090N -3.13 0.47 -0.02 1.40 -7.23 -1.26 -1.02 120.40 109.60 2gr7 s VAL 1090Ca 0.11 -0.52 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 2gr7 s VAL 1090Cb 0.02 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.53 2gr7 s VAL 1090CO -0.01 -0.05 0.32 0.00 -0.31 0.00 0.00 175.10 175.04 2gr7 s ALA 1091N -0.55 -0.80 -0.10 1.32 0.00 -0.66 -5.02 121.76 115.94 2gr7 s ALA 1091Ca -0.02 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2gr7 s ALA 1091Cb -0.05 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2gr7 s ALA 1091CO 0.00 -0.25 0.27 0.00 0.00 0.00 0.00 175.76 175.78 2gr7 s ALA 1092N -1.20 -0.67 0.11 0.00 0.00 -1.26 -0.98 121.76 117.76 2gr7 s ALA 1092Ca -0.12 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2gr7 s ALA 1092Cb -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2gr7 s ALA 1092CO 0.04 -0.14 -0.08 0.20 0.00 0.00 0.00 175.76 175.78 2gr7 s GLY 1093N 0.30 0.87 -0.02 0.00 0.00 0.36 -5.00 107.32 103.84 2gr7 s GLY 1093Ca -0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 2gr7 s GLY 1093CO -0.01 -1.47 0.05 0.54 0.00 0.00 0.00 173.10 172.22 2gr7 s VAL 1094N -3.36 -0.02 0.08 1.40 0.11 -1.26 -1.14 120.40 116.22 2gr7 s VAL 1094Ca 0.12 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2gr7 s VAL 1094Cb 0.03 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.75 2gr7 s VAL 1094CO -0.02 0.02 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.88 2gr7 s GLY 1095N 0.32 0.66 -0.07 6.54 0.00 0.23 -5.00 107.32 110.01 2gr7 s GLY 1095Ca -0.02 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2gr7 s GLY 1095CO -0.01 -1.37 -0.09 -0.47 0.00 0.00 0.00 173.10 171.16 2gr7 s TYR 1096N -3.57 1.24 0.06 1.90 5.04 -1.26 -1.40 117.35 119.36 2gr7 s TYR 1096Ca 0.09 -0.47 0.09 0.00 -2.44 0.00 0.00 57.07 54.34 2gr7 s TYR 1096Cb 0.05 -0.98 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 2gr7 s TYR 1096CO -0.06 -0.29 -0.23 1.14 -1.34 0.00 0.00 175.55 174.77 2gr7 s GLN 1097N 0.94 1.86 0.00 4.97 -2.07 -0.20 -5.02 119.66 120.14 2gr7 s GLN 1097Ca -0.10 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 2gr7 s GLN 1097Cb -0.15 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 2gr7 s GLN 1097CO 0.01 0.51 0.00 -2.67 -1.32 0.00 0.00 175.29 171.82