#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 -0.56 0.00 2.07 -2.05 -2.46 116.25 114.72 2gr7 h VAL 999 Ca 0.00 -2.79 -0.10 0.00 0.82 0.00 0.00 66.70 64.63 2gr7 h VAL 999 Cb 0.00 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2gr7 h VAL 999 CO 0.00 0.82 -0.05 0.00 0.02 0.00 0.00 177.57 178.35 2gr7 h ALA 1000N 0.70 0.84 0.61 1.67 0.00 -2.05 -1.37 119.26 119.66 2gr7 h ALA 1000Ca -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2gr7 h ALA 1000Cb 1.76 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2gr7 h ALA 1000CO 0.18 0.66 -0.29 1.57 0.00 0.00 0.00 179.25 181.37 2gr7 h LYS 1001N 0.92 -0.79 0.00 0.00 -0.00 -1.99 -2.10 116.57 112.60 2gr7 h LYS 1001Ca 0.15 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.86 2gr7 h LYS 1001Cb 0.61 0.18 0.00 0.00 -0.00 0.00 0.00 32.23 33.02 2gr7 h LYS 1001CO 0.04 -0.53 0.00 0.41 -0.00 0.00 0.00 179.45 179.37 2gr7 n GLY 1002N -0.66 0.00 0.11 0.07 0.00 -0.93 -0.22 105.19 103.57 2gr7 n GLY 1002Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.39 1.61 2.07 -1.22 -2.03 116.25 117.85 2gr7 h VAL 1003Ca 0.00 -2.76 -0.15 0.00 0.82 0.00 0.00 66.70 64.61 2gr7 h VAL 1003Cb 0.00 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2gr7 h VAL 1003CO 0.00 0.79 -0.35 0.74 0.02 0.00 0.00 177.57 178.78 2gr7 h THR 1004N 0.04 1.27 0.00 2.57 2.02 -0.65 -2.10 112.91 116.06 2gr7 h THR 1004Ca -0.02 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 2gr7 h THR 1004Cb 1.48 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2gr7 h THR 1004CO 0.12 0.51 -0.29 0.78 0.37 0.00 0.00 175.52 177.00 2gr7 h ASN 1005N 0.74 0.00 0.08 4.18 2.35 -0.60 -2.40 115.58 119.93 2gr7 h ASN 1005Ca 0.07 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 2gr7 h ASN 1005Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 2gr7 h ASN 1005CO 0.09 0.29 -0.70 0.25 -1.65 0.00 0.00 177.43 175.71 2gr7 h LEU 1006N 0.00 0.65 -0.17 1.61 5.85 -1.20 -2.03 115.31 120.02 2gr7 h LEU 1006Ca -0.00 -0.41 -0.22 0.00 0.84 0.00 0.00 57.88 58.08 2gr7 h LEU 1006Cb 0.80 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.65 2gr7 h LEU 1006CO 0.04 1.16 -0.80 0.00 -0.34 0.00 0.00 178.44 178.50 2gr7 h ALA 1007N 0.83 0.32 -0.42 1.25 0.00 -1.27 -2.04 119.26 117.94 2gr7 h ALA 1007Ca -0.03 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.35 2gr7 h ALA 1007Cb 1.29 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2gr7 h ALA 1007CO 0.13 0.69 -0.02 0.78 0.00 0.00 0.00 179.25 180.83 2gr7 h GLY 1008N 0.62 0.39 1.01 0.00 0.00 -1.51 -2.38 103.07 101.20 2gr7 h GLY 1008Ca -0.06 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2gr7 h GLY 1008CO 0.16 -0.12 0.61 -1.61 0.00 0.00 0.00 176.54 175.58 2gr7 h GLN 1009N 0.08 1.24 -0.37 4.80 4.15 -1.15 -1.30 115.11 122.56 2gr7 h GLN 1009Ca 0.20 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 2gr7 h GLN 1009Cb 0.30 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2gr7 h GLN 1009CO -0.36 0.83 -0.31 0.28 -1.93 0.00 0.00 178.83 177.34 2gr7 h VAL 1010N 1.27 1.28 -0.38 2.39 2.07 -1.28 -1.48 116.25 120.12 2gr7 h VAL 1010Ca 0.34 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 2gr7 h VAL 1010Cb -0.13 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2gr7 h VAL 1010CO -0.07 0.49 -0.30 0.78 0.02 0.00 0.00 177.57 178.49 2gr7 h ASN 1011N 0.68 0.86 0.14 0.57 2.35 -1.16 -1.42 115.58 117.61 2gr7 h ASN 1011Ca 0.07 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 2gr7 h ASN 1011Cb 0.86 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2gr7 h ASN 1011CO 0.08 1.09 -0.23 0.78 -1.65 0.00 0.00 177.43 177.50 2gr7 h ASN 1012N 0.70 0.16 0.27 5.81 4.21 -1.17 -3.00 115.58 122.56 2gr7 h ASN 1012Ca 0.08 -0.04 -0.20 0.00 1.21 0.00 0.00 56.30 57.35 2gr7 h ASN 1012Cb 0.85 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.00 2gr7 h ASN 1012CO 0.07 0.40 -0.80 0.25 -1.29 0.00 0.00 177.43 176.06 2gr7 h LEU 1013N 0.15 0.51 -0.31 1.61 5.85 -1.02 -2.30 115.31 119.80 2gr7 h LEU 1013Ca 0.03 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.45 2gr7 h LEU 1013Cb 0.50 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2gr7 h LEU 1013CO 0.03 1.12 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.82 2gr7 h GLU 1014N 0.27 -0.04 -0.22 1.25 4.39 -1.13 0.03 114.58 119.12 2gr7 h GLU 1014Ca -0.05 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2gr7 h GLU 1014Cb 1.40 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 2gr7 h GLU 1014CO 0.14 -0.03 -0.28 0.78 -1.16 0.00 0.00 179.01 178.46 2gr7 h GLY 1015N -0.04 0.47 1.42 -3.84 0.00 -1.51 -2.77 103.07 96.80 2gr7 h GLY 1015Ca 0.15 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 2gr7 h GLY 1015CO -0.34 0.36 -0.61 1.70 0.00 0.00 0.00 176.54 177.65 2gr7 h LYS 1016N 0.38 0.60 -0.62 4.80 3.64 -1.03 -2.15 116.57 122.19 2gr7 h LYS 1016Ca 0.05 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 2gr7 h LYS 1016Cb 0.70 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2gr7 h LYS 1016CO 0.05 1.03 0.35 0.28 -2.27 0.00 0.00 179.45 178.89 2gr7 h VAL 1017N 0.44 1.20 -0.96 2.00 2.07 -0.91 0.95 116.25 121.04 2gr7 h VAL 1017Ca -0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2gr7 h VAL 1017Cb 1.18 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2gr7 h VAL 1017CO 0.12 0.21 0.59 0.78 0.02 0.00 0.00 177.57 179.29 2gr7 h ASN 1018N 0.84 1.14 -0.12 0.57 4.21 -1.43 -1.30 115.58 119.49 2gr7 h ASN 1018Ca 0.22 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 2gr7 h ASN 1018Cb 0.03 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 36.94 2gr7 h ASN 1018CO -0.04 0.86 0.00 0.50 -1.29 0.00 0.00 177.43 177.47 2gr7 h LYS 1019N 1.31 0.21 -0.83 0.81 3.64 -1.07 -1.46 116.57 119.18 2gr7 h LYS 1019Ca 0.34 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 2gr7 h LYS 1019Cb -0.08 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 2gr7 h LYS 1019CO -0.07 0.45 0.48 0.28 -2.27 0.00 0.00 179.45 178.32 2gr7 h VAL 1020N -0.06 0.91 -0.37 2.00 2.07 -0.62 0.88 116.25 121.05 2gr7 h VAL 1020Ca 0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2gr7 h VAL 1020Cb 0.36 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2gr7 h VAL 1020CO 0.01 0.14 0.19 1.23 0.02 0.00 0.00 177.57 179.16 2gr7 h GLY 1021N 0.79 0.57 0.90 2.17 0.00 -1.11 -0.39 103.07 106.01 2gr7 h GLY 1021Ca 0.40 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.48 2gr7 h GLY 1021CO -0.25 0.26 0.26 0.50 0.00 0.00 0.00 176.54 177.31 2gr7 h LYS 1022N 0.47 0.51 -0.27 4.80 1.57 -0.67 -0.88 116.57 122.10 2gr7 h LYS 1022Ca 0.13 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2gr7 h LYS 1022Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2gr7 h LYS 1022CO -0.02 0.34 -0.05 0.00 -0.57 0.00 0.00 179.45 179.15 2gr7 h ARG 1023N 0.53 0.42 -0.11 3.15 2.47 -0.70 -0.57 114.38 119.55 2gr7 h ARG 1023Ca 0.17 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2gr7 h ARG 1023Cb 0.01 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2gr7 h ARG 1023CO -0.08 0.49 0.01 0.00 0.56 0.00 0.00 179.97 180.95 2gr7 h ALA 1024N 1.55 0.15 -0.90 0.04 0.00 -0.64 -1.10 119.26 118.38 2gr7 h ALA 1024Ca 0.08 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2gr7 h ALA 1024Cb 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2gr7 h ALA 1024CO 0.01 -0.17 0.57 -0.44 0.00 0.00 0.00 179.25 179.23 2gr7 h ASP 1025N -0.06 0.92 -0.34 0.00 3.32 -0.97 -2.41 116.42 116.89 2gr7 h ASP 1025Ca 0.03 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2gr7 h ASP 1025Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2gr7 h ASP 1025CO 0.00 0.61 -0.11 0.00 -1.72 0.00 0.00 179.24 178.03 2gr7 h ALA 1026N 1.40 0.47 -0.74 3.45 0.00 -0.94 -0.96 119.26 121.93 2gr7 h ALA 1026Ca 0.38 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2gr7 h ALA 1026Cb 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2gr7 h ALA 1026CO -0.15 0.33 0.45 0.78 0.00 0.00 0.00 179.25 180.66 2gr7 h GLY 1027N 0.45 1.10 0.97 0.00 0.00 -1.08 -1.13 103.07 103.38 2gr7 h GLY 1027Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2gr7 h GLY 1027CO 0.04 0.23 0.21 -0.84 0.00 0.00 0.00 176.54 176.18 2gr7 h THR 1028N 0.84 1.21 -0.40 4.70 2.02 -1.23 -1.79 112.91 118.25 2gr7 h THR 1028Ca 0.32 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.89 2gr7 h THR 1028Cb 0.13 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2gr7 h THR 1028CO -0.16 0.25 0.18 0.00 0.37 0.00 0.00 175.52 176.17 2gr7 h ALA 1029N 1.06 0.49 -0.30 6.16 0.00 -0.82 0.10 119.26 125.95 2gr7 h ALA 1029Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2gr7 h ALA 1029Cb 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2gr7 h ALA 1029CO -0.02 -0.19 -0.01 0.77 0.00 0.00 0.00 179.25 179.80 2gr7 h SER 1030N 0.37 -0.15 -0.42 0.00 0.02 -0.98 -0.68 113.55 111.71 2gr7 h SER 1030Ca 0.18 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2gr7 h SER 1030Cb 0.11 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2gr7 h SER 1030CO -0.14 -0.04 -0.09 0.00 -1.14 0.00 0.00 176.83 175.41 2gr7 h ALA 1031N 1.27 0.93 -0.67 3.77 0.00 -0.92 -1.28 119.26 122.36 2gr7 h ALA 1031Ca 0.15 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2gr7 h ALA 1031Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2gr7 h ALA 1031CO -0.26 0.63 0.43 -0.07 0.00 0.00 0.00 179.25 179.98 2gr7 h LEU 1032N 0.79 0.73 -0.39 0.00 3.38 -0.55 -0.96 115.31 118.30 2gr7 h LEU 1032Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2gr7 h LEU 1032Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2gr7 h LEU 1032CO 0.04 0.52 0.18 0.00 0.09 0.00 0.00 178.44 179.27 2gr7 h ALA 1033N 1.27 0.51 -0.37 1.53 0.00 -0.85 -3.01 119.26 118.34 2gr7 h ALA 1033Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2gr7 h ALA 1033Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2gr7 h ALA 1033CO -0.08 0.08 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 2gr7 h ALA 1034N 1.03 1.12 0.00 0.00 0.00 -1.14 -2.28 119.26 117.99 2gr7 h ALA 1034Ca 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2gr7 h ALA 1034Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2gr7 h ALA 1034CO -0.02 0.55 -0.02 0.66 0.00 0.00 0.00 179.25 180.43 2gr7 h SER 1035N 0.58 0.00 -0.26 0.00 4.64 -1.05 -2.78 113.55 114.69 2gr7 h SER 1035Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2gr7 h SER 1035Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2gr7 h SER 1035CO 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2gr7 n GLN 1036N -3.65 2.34 -1.95 4.77 1.13 -0.87 -4.89 117.38 114.26 2gr7 n GLN 1036Ca -0.03 -2.11 -0.42 0.00 -1.94 0.00 0.00 57.00 52.50 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 -1.58 4.30 0.71 1.08 1.43 -1.05 -4.91 118.68 118.66 2gr7 s LEU 1037Ca 0.33 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.56 2gr7 s LEU 1037Cb 0.21 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.93 2gr7 s LEU 1037CO 0.29 -0.98 1.15 -2.84 0.23 0.00 0.00 176.35 174.20 2gr7 s PRO 1038N 4.19 2.36 0.01 1.29 0.02 -1.26 -5.05 135.00 136.56 2gr7 s PRO 1038Ca 0.76 1.53 0.04 0.00 0.02 0.00 0.00 61.00 63.35 2gr7 s PRO 1038Cb -0.34 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 2gr7 s PRO 1038CO 0.32 -1.62 -0.08 -1.14 -0.33 0.00 0.00 177.00 174.15 2gr7 s GLN 1039N -4.12 2.48 0.53 5.54 0.74 -1.26 -4.83 119.66 118.74 2gr7 s GLN 1039Ca 0.69 -0.76 -0.21 0.00 0.05 0.00 0.00 55.36 55.13 2gr7 s GLN 1039Cb -0.24 -2.46 -0.06 0.00 1.10 0.00 0.00 33.01 31.35 2gr7 s GLN 1039CO 0.45 0.59 1.12 0.00 -0.55 0.00 0.00 175.29 176.91 2gr7 n ALA 1040N 1.54 0.71 -0.03 1.58 0.00 -1.26 -4.96 120.51 118.10 2gr7 n ALA 1040Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2gr7 n ALA 1040Cb 0.52 -2.19 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 -1.13 0.00 -5.06 0.00 -2.24 -1.26 -4.89 114.28 99.70 2gr7 n THR 1041Ca 0.11 -0.41 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 2gr7 n THR 1041Cb 0.44 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.70 2.63 0.27 -0.78 -1.94 -1.26 -5.10 119.30 112.42 2gr7 s MET 1042Ca 0.00 -0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 2gr7 s MET 1042Cb 0.00 -2.30 -0.13 0.00 2.01 0.00 0.00 34.83 34.41 2gr7 s MET 1042CO 0.00 0.45 1.42 -2.30 -0.01 0.00 0.00 175.02 174.59 2gr7 n PRO 1043N 2.77 2.19 -0.91 2.03 -0.02 -1.26 -2.09 135.00 137.71 2gr7 n PRO 1043Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2gr7 n PRO 1043Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.84 1.16 3.86 -1.23 0.00 -0.56 -4.85 105.19 105.41 2gr7 n GLY 1044Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.01 3.21 0.12 1.61 1.02 -0.89 -4.88 119.74 119.92 2gr7 s LYS 1045Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2gr7 s LYS 1045Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2gr7 s LYS 1045CO 0.00 0.60 0.08 -1.12 -0.92 0.00 0.00 175.35 173.99 2gr7 s SER 1046N -2.38 5.34 -0.00 2.83 0.01 -1.26 -2.11 113.70 116.13 2gr7 s SER 1046Ca 0.32 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.48 2gr7 s SER 1046Cb -0.13 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 2gr7 s SER 1046CO 0.24 0.12 -0.12 -0.32 0.41 0.00 0.00 173.24 173.58 2gr7 s MET 1047N -2.71 0.94 -0.07 12.44 1.75 -0.14 -4.98 119.30 126.53 2gr7 s MET 1047Ca 0.29 -0.47 0.02 0.00 -1.25 0.00 0.00 55.69 54.28 2gr7 s MET 1047Cb -0.11 -0.91 -0.03 0.00 2.84 0.00 0.00 34.83 36.63 2gr7 s MET 1047CO 0.21 0.24 -0.11 0.14 -0.65 0.00 0.00 175.02 174.86 2gr7 s VAL 1048N -0.37 3.38 0.05 10.11 -7.23 -1.26 -1.73 120.40 123.34 2gr7 s VAL 1048Ca 0.04 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2gr7 s VAL 1048Cb -0.05 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2gr7 s VAL 1048CO -0.00 0.59 -0.05 0.00 -0.31 0.00 0.00 175.10 175.32 2gr7 s ALA 1049N -0.66 0.57 0.01 1.32 0.00 0.19 -5.00 121.76 118.18 2gr7 s ALA 1049Ca 0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2gr7 s ALA 1049Cb -0.11 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2gr7 s ALA 1049CO 0.01 -0.17 0.00 -1.50 0.00 0.00 0.00 175.76 174.10 2gr7 s ILE 1050N -2.48 0.05 -0.01 0.00 2.07 -1.26 -1.76 121.20 117.81 2gr7 s ILE 1050Ca -0.02 -0.44 -0.08 0.00 -1.41 0.00 0.00 60.65 58.69 2gr7 s ILE 1050Cb -0.02 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.42 2gr7 s ILE 1050CO -0.03 -0.24 0.17 0.00 -1.91 0.00 0.00 174.94 172.92 2gr7 s ALA 1051N -0.72 -0.41 0.14 1.50 0.00 -0.52 -4.84 121.76 116.91 2gr7 s ALA 1051Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 51.96 51.94 2gr7 s ALA 1051Cb -0.05 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2gr7 s ALA 1051CO -0.00 -0.21 -0.13 0.20 0.00 0.00 0.00 175.76 175.62 2gr7 s GLY 1052N -1.23 1.13 0.19 0.00 0.00 -1.26 -1.59 107.32 104.56 2gr7 s GLY 1052Ca -0.13 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 2gr7 s GLY 1052CO 0.02 -1.48 0.43 -1.35 0.00 0.00 0.00 173.10 170.71 2gr7 s SER 1053N -2.78 -0.11 -0.03 1.64 1.04 -0.80 -4.68 113.70 107.98 2gr7 s SER 1053Ca 0.13 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 2gr7 s SER 1053Cb -0.02 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2gr7 s SER 1053CO 0.03 -1.01 0.04 -0.55 0.98 0.00 0.00 173.24 172.73 2gr7 s SER 1054N -2.94 0.59 -0.17 7.02 0.15 -1.26 -1.77 113.70 115.32 2gr7 s SER 1054Ca 0.15 0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.80 2gr7 s SER 1054Cb 0.01 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.26 2gr7 s SER 1054CO 0.00 -0.18 0.12 -0.47 1.20 0.00 0.00 173.24 173.92 2gr7 s TYR 1055N 1.55 0.05 -1.40 3.44 5.04 0.13 -4.96 117.35 121.20 2gr7 s TYR 1055Ca -0.03 -0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.41 2gr7 s TYR 1055Cb -0.13 -0.58 0.04 0.00 0.35 0.00 0.00 41.96 41.64 2gr7 s TYR 1055CO -0.03 -0.51 0.96 1.04 -1.34 0.00 0.00 175.55 175.67 2gr7 n GLN 1056N 5.29 -6.06 -0.84 4.97 1.13 -1.26 -1.45 117.38 119.15 2gr7 n GLN 1056Ca -0.06 0.69 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2gr7 n GLN 1056Cb 0.49 -5.54 0.00 0.00 0.11 0.00 0.00 30.24 25.30 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 -1.67 0.89 3.58 1.08 0.00 -1.26 -5.02 105.19 102.78 2gr7 n GLY 1057Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.16 2.38 0.08 1.61 -1.52 -0.53 -5.09 119.66 116.44 2gr7 s GLN 1058Ca 0.00 -0.84 0.05 0.00 -1.95 0.00 0.00 55.36 52.61 2gr7 s GLN 1058Cb 0.00 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 2gr7 s GLN 1058CO 0.00 0.56 -0.01 -0.80 -0.25 0.00 0.00 175.29 174.79 2gr7 s ASN 1059N -1.70 4.96 0.13 5.90 0.01 -1.26 0.17 114.94 123.16 2gr7 s ASN 1059Ca 0.19 -0.18 0.10 0.00 -0.71 0.00 0.00 52.86 52.26 2gr7 s ASN 1059Cb -0.11 -1.17 -0.04 0.00 0.41 0.00 0.00 41.25 40.34 2gr7 s ASN 1059CO 0.10 0.19 -0.25 -0.83 -1.51 0.00 0.00 177.10 174.79 2gr7 s GLY 1060N -2.21 1.51 -0.01 0.66 0.00 -0.73 -1.69 107.32 104.85 2gr7 s GLY 1060Ca 0.25 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2gr7 s GLY 1060CO 0.17 -1.42 0.02 -2.27 0.00 0.00 0.00 173.10 169.59 2gr7 s LEU 1061N -2.08 1.49 0.02 0.66 2.96 -0.51 -1.91 118.68 119.31 2gr7 s LEU 1061Ca 0.13 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2gr7 s LEU 1061Cb -0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 2gr7 s LEU 1061CO 0.06 -0.07 -0.05 0.00 -1.32 0.00 0.00 176.35 174.97 2gr7 s ALA 1062N 0.59 0.39 0.04 5.97 0.00 -0.62 -0.64 121.76 127.48 2gr7 s ALA 1062Ca -0.05 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.55 2gr7 s ALA 1062Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2gr7 s ALA 1062CO -0.02 0.02 -0.18 0.42 0.00 0.00 0.00 175.76 176.01 2gr7 s ILE 1063N -0.69 1.40 -0.01 0.00 1.01 -0.46 -1.44 121.20 121.01 2gr7 s ILE 1063Ca -0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.40 2gr7 s ILE 1063Cb -0.05 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.20 2gr7 s ILE 1063CO -0.00 0.13 0.27 -0.83 0.00 0.00 0.00 174.94 174.51 2gr7 s GLY 1064N -1.11 -0.11 0.10 6.18 0.00 -0.72 -1.44 107.32 110.22 2gr7 s GLY 1064Ca 0.05 0.22 0.09 0.00 0.00 0.00 0.00 44.72 45.08 2gr7 s GLY 1064CO 0.01 0.03 -0.24 -1.34 0.00 0.00 0.00 173.10 171.57 2gr7 s VAL 1065N -1.32 1.97 0.08 1.40 -7.23 -0.15 -0.64 120.40 114.51 2gr7 s VAL 1065Ca -0.14 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2gr7 s VAL 1065Cb -0.06 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2gr7 s VAL 1065CO 0.04 0.09 0.08 -0.94 -0.31 0.00 0.00 175.10 174.06 2gr7 s SER 1066N -1.77 0.31 -0.19 4.85 1.04 -0.71 -0.72 113.70 116.51 2gr7 s SER 1066Ca 0.10 -0.89 -0.21 0.00 0.48 0.00 0.00 55.95 55.43 2gr7 s SER 1066Cb -0.10 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.35 2gr7 s SER 1066CO 0.04 -0.68 0.57 -0.60 0.98 0.00 0.00 173.24 173.56 2gr7 s ARG 1067N -3.92 0.72 -0.11 4.02 3.52 -0.76 -0.97 118.95 121.45 2gr7 s ARG 1067Ca 0.09 0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 56.33 2gr7 s ARG 1067Cb 0.07 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.77 2gr7 s ARG 1067CO -0.08 -0.11 0.04 0.42 -0.81 0.00 0.00 175.30 174.75 2gr7 s ILE 1068N 0.04 4.65 0.79 4.11 1.01 -0.90 -1.73 121.20 129.17 2gr7 s ILE 1068Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2gr7 s ILE 1068Cb -0.04 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.51 2gr7 s ILE 1068CO 0.02 0.59 1.19 -0.94 0.00 0.00 0.00 174.94 175.79 2gr7 s SER 1069N -0.73 3.82 0.32 3.58 1.04 -0.05 -1.49 113.70 120.18 2gr7 s SER 1069Ca 0.12 2.29 0.08 0.00 0.48 0.00 0.00 55.95 58.91 2gr7 s SER 1069Cb -0.12 -2.58 0.79 0.00 0.10 0.00 0.00 66.02 64.21 2gr7 s SER 1069CO 0.02 -2.51 1.79 0.44 0.98 0.00 0.00 173.24 173.96 2gr7 h ASP 1070N -0.81 0.73 -0.04 7.02 3.32 -1.89 0.15 116.42 124.90 2gr7 h ASP 1070Ca -0.46 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2gr7 h ASP 1070Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2gr7 h ASP 1070CO 0.47 0.27 0.00 -0.46 -1.72 0.00 0.00 179.24 177.80 2gr7 n ASN 1071N -4.72 0.74 0.00 6.45 0.23 -1.26 -4.39 115.26 112.31 2gr7 n ASN 1071Ca 0.23 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 2gr7 n ASN 1071Cb 0.59 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 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 1.02 1.48 0.07 4.83 0.00 -0.01 -4.91 105.19 107.67 2gr7 n GLY 1072Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 2.89 0.03 -5.08 1.61 1.57 -1.83 -3.45 116.57 112.31 2gr7 h LYS 1073Ca 0.00 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.11 2gr7 h LYS 1073Cb 0.00 0.02 -0.33 0.00 0.08 0.00 0.00 32.23 32.00 2gr7 h LYS 1073CO 0.00 0.86 -0.86 0.08 -0.57 0.00 0.00 179.45 178.96 2gr7 s VAL 1074N -2.67 1.72 -0.05 0.50 1.01 -1.26 -0.85 120.40 118.80 2gr7 s VAL 1074Ca -0.02 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2gr7 s VAL 1074Cb 0.09 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2gr7 s VAL 1074CO 0.83 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 175.58 2gr7 s ILE 1075N 0.43 1.63 0.12 2.22 1.01 -0.62 -0.87 121.20 125.12 2gr7 s ILE 1075Ca -0.17 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.75 2gr7 s ILE 1075Cb -0.17 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2gr7 s ILE 1075CO 0.07 0.46 -0.18 0.27 0.00 0.00 0.00 174.94 175.56 2gr7 s ILE 1076N 0.01 2.85 -0.02 2.92 -4.36 -0.70 -0.73 121.20 121.16 2gr7 s ILE 1076Ca -0.05 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 2gr7 s ILE 1076Cb -0.13 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2gr7 s ILE 1076CO 0.03 0.08 0.02 -0.13 0.24 0.00 0.00 174.94 175.18 2gr7 s ARG 1077N -2.21 0.02 0.02 0.37 0.52 -0.44 -1.83 118.95 115.39 2gr7 s ARG 1077Ca 0.18 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 2gr7 s ARG 1077Cb -0.10 -0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 2gr7 s ARG 1077CO 0.10 -0.12 -0.12 -0.51 0.02 0.00 0.00 175.30 174.67 2gr7 s LEU 1078N 0.78 2.11 -0.11 2.53 1.43 0.10 -0.25 118.68 125.26 2gr7 s LEU 1078Ca -0.07 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2gr7 s LEU 1078Cb -0.10 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.60 2gr7 s LEU 1078CO -0.02 0.06 0.32 -0.55 0.23 0.00 0.00 176.35 176.39 2gr7 s SER 1079N -0.76 -0.32 -0.00 2.29 0.15 -0.02 -0.98 113.70 114.06 2gr7 s SER 1079Ca 0.02 0.59 0.08 0.00 0.70 0.00 0.00 55.95 57.34 2gr7 s SER 1079Cb -0.06 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2gr7 s SER 1079CO 0.00 -0.15 -0.26 -0.83 1.20 0.00 0.00 173.24 173.21 2gr7 s GLY 1080N 0.00 1.29 0.09 9.45 0.00 -0.52 -1.45 107.32 116.18 2gr7 s GLY 1080Ca -0.02 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.60 2gr7 s GLY 1080CO 0.01 -0.98 -0.12 -0.51 0.00 0.00 0.00 173.10 171.50 2gr7 s THR 1081N -0.65 1.02 0.24 0.90 -4.23 -0.28 -1.35 115.64 111.28 2gr7 s THR 1081Ca 0.10 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2gr7 s THR 1081Cb -0.10 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 2gr7 s THR 1081CO -0.00 -0.42 0.15 1.07 -0.54 0.00 0.00 174.62 174.88 2gr7 n THR 1082N 0.86 0.00 -3.78 3.99 5.66 0.18 -1.97 114.28 119.22 2gr7 n THR 1082Ca -0.18 -1.57 -0.09 0.00 -3.05 0.00 0.00 64.05 59.15 2gr7 n THR 1082Cb 0.56 0.70 0.01 0.00 -1.55 0.00 0.00 70.33 70.06 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 -1.98 -1.83 0.00 1.09 0.23 -1.24 -1.42 115.26 110.11 2gr7 n ASN 1083Ca 0.02 -2.48 0.11 0.00 -0.53 0.00 0.00 54.58 51.69 2gr7 n ASN 1083Cb 0.40 3.10 0.53 0.00 -2.08 0.00 0.00 39.78 41.73 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 -1.52 0.00 -0.69 0.53 3.41 -0.68 -1.75 113.62 112.92 2gr7 n SER 1084Ca -0.06 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 2gr7 n SER 1084Cb 0.53 -0.35 0.33 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.35 1.94 -1.30 4.33 1.13 -1.26 -4.97 117.38 115.90 2gr7 n GLN 1085Ca 0.09 -1.38 -0.07 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 29.05 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 1.26 0.81 3.63 1.08 0.00 -0.72 -5.02 105.19 106.24 2gr7 n GLY 1086Ca 0.17 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.77 4.02 0.05 1.61 -0.14 -1.26 -4.90 119.74 116.36 2gr7 s LYS 1087Ca 0.00 -0.29 -0.00 0.00 -1.36 0.00 0.00 55.97 54.32 2gr7 s LYS 1087Cb 0.00 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2gr7 s LYS 1087CO 0.00 -0.04 0.20 0.95 -0.76 0.00 0.00 175.35 175.71 2gr7 s THR 1088N 1.34 5.37 0.09 2.17 -4.23 -1.26 -3.68 115.64 115.45 2gr7 s THR 1088Ca 0.07 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2gr7 s THR 1088Cb -0.14 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 2gr7 s THR 1088CO 0.07 0.17 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.43 2gr7 s GLY 1089N -2.40 0.74 0.01 3.99 0.00 -0.83 -4.98 107.32 103.85 2gr7 s GLY 1089Ca 0.33 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2gr7 s GLY 1089CO 0.26 -1.38 -0.04 -1.34 0.00 0.00 0.00 173.10 170.60 2gr7 s VAL 1090N -3.33 0.32 -0.03 1.40 -7.23 -1.26 -1.12 120.40 109.15 2gr7 s VAL 1090Ca 0.09 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2gr7 s VAL 1090Cb 0.03 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.67 2gr7 s VAL 1090CO -0.04 -0.07 0.25 0.00 -0.31 0.00 0.00 175.10 174.94 2gr7 s ALA 1091N -0.47 -0.63 -0.07 1.32 0.00 -0.53 -5.01 121.76 116.38 2gr7 s ALA 1091Ca -0.02 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 2gr7 s ALA 1091Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2gr7 s ALA 1091CO -0.00 -0.22 0.18 0.00 0.00 0.00 0.00 175.76 175.72 2gr7 s ALA 1092N -1.07 -0.43 0.12 0.00 0.00 -1.26 -0.84 121.76 118.27 2gr7 s ALA 1092Ca -0.11 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2gr7 s ALA 1092Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2gr7 s ALA 1092CO 0.03 -0.09 -0.04 0.20 0.00 0.00 0.00 175.76 175.86 2gr7 s GLY 1093N 0.19 0.89 -0.02 0.00 0.00 0.65 -5.00 107.32 104.03 2gr7 s GLY 1093Ca -0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 2gr7 s GLY 1093CO -0.00 -1.46 0.05 0.54 0.00 0.00 0.00 173.10 172.23 2gr7 s VAL 1094N -3.68 -0.02 0.10 1.40 0.11 -1.26 -1.33 120.40 115.72 2gr7 s VAL 1094Ca 0.16 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2gr7 s VAL 1094Cb 0.06 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.78 2gr7 s VAL 1094CO -0.02 0.03 -0.11 -0.83 -3.33 0.00 0.00 175.10 170.83 2gr7 s GLY 1095N 0.36 0.88 -0.08 6.54 0.00 0.09 -4.99 107.32 110.11 2gr7 s GLY 1095Ca -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.52 2gr7 s GLY 1095CO -0.01 -1.26 -0.13 -0.47 0.00 0.00 0.00 173.10 171.23 2gr7 s TYR 1096N -2.32 1.60 0.07 1.90 5.04 -1.26 -1.59 117.35 120.79 2gr7 s TYR 1096Ca 0.05 -0.64 0.09 0.00 -2.44 0.00 0.00 57.07 54.14 2gr7 s TYR 1096Cb -0.04 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 41.07 2gr7 s TYR 1096CO 0.01 -0.34 -0.25 1.14 -1.34 0.00 0.00 175.55 174.77 2gr7 s GLN 1097N 0.79 1.75 0.00 4.97 -2.07 -0.03 -5.02 119.66 120.05 2gr7 s GLN 1097Ca -0.12 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.27 2gr7 s GLN 1097Cb -0.15 -2.01 0.00 0.00 -1.09 0.00 0.00 33.01 29.76 2gr7 s GLN 1097CO 0.02 0.50 0.00 -2.67 -1.32 0.00 0.00 175.29 171.82