#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 n SER 2 N 0.00 -1.26 -4.67 1.61 3.41 -1.26 -4.86 113.62 106.60 2d87 n SER 2 Ca 0.00 -1.24 -0.41 0.00 -0.26 0.00 0.00 58.87 56.97 2d87 n SER 2 Cb 0.00 -1.71 -0.05 0.00 -0.26 0.00 0.00 64.21 62.20 2d87 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d87 s SER 3 N -3.54 6.87 -0.41 4.04 1.04 -1.26 -5.01 113.70 115.42 2d87 s SER 3 Ca 0.62 1.06 -0.29 0.00 0.48 0.00 0.00 55.95 57.83 2d87 s SER 3 Cb -0.36 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.36 2d87 s SER 3 CO 1.01 -0.35 1.09 -0.83 0.98 0.00 0.00 173.24 175.14 2d87 s GLY 4 N 1.16 1.41 0.22 7.32 0.00 -1.26 -5.00 107.32 111.18 2d87 s GLY 4 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2d87 s GLY 4 CO 0.12 2.32 0.13 -0.56 0.00 0.00 0.00 173.10 175.11 2d87 s SER 5 N 2.13 0.53 -0.15 1.64 0.01 -1.26 -5.17 113.70 111.43 2d87 s SER 5 Ca 0.46 -1.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.06 2d87 s SER 5 Cb -0.09 0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.53 2d87 s SER 5 CO 0.25 -0.82 0.63 -0.55 0.41 0.00 0.00 173.24 173.15 2d87 s SER 6 N -3.22 -0.62 0.00 2.44 0.15 -1.26 -5.15 113.70 106.04 2d87 s SER 6 Ca 0.39 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2d87 s SER 6 Cb 0.07 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2d87 s SER 6 CO 0.13 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2d87 n GLY 7 N 1.94 0.18 0.05 9.45 0.00 -1.26 -4.61 105.19 110.94 2d87 n GLY 7 Ca -0.16 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.09 2d87 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d87 n ILE 8 N 0.41 0.53 0.49 -0.61 5.41 -1.26 -4.09 119.36 120.23 2d87 n ILE 8 Ca 0.00 -0.60 0.06 0.00 1.00 0.00 0.00 62.75 63.20 2d87 n ILE 8 Cb 0.00 -0.24 0.27 0.00 -0.71 0.00 0.00 39.64 38.96 2d87 n ILE 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2d87 n LYS 9 N -2.50 0.09 -0.12 0.38 4.81 -1.26 -2.10 118.16 117.45 2d87 n LYS 9 Ca -0.10 0.23 -0.23 0.00 -0.87 0.00 0.00 58.31 57.34 2d87 n LYS 9 Cb 0.72 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.18 2d87 n LYS 9 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2d87 n GLN 10 N -1.38 0.56 0.31 1.64 -0.06 -1.26 -3.90 117.38 113.30 2d87 n GLN 10 Ca 0.04 0.36 0.20 0.00 -2.00 0.00 0.00 57.00 55.60 2d87 n GLN 10 Cb 0.11 -1.57 1.03 0.00 -4.06 0.00 0.00 30.24 25.76 2d87 n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2d87 h MET 11 N -1.00 0.00 -0.00 3.69 -0.00 -1.70 -2.18 114.93 113.73 2d87 h MET 11 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.22 2d87 h MET 11 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.97 2d87 h MET 11 CO -0.28 0.01 -0.08 -0.07 -0.00 0.00 0.00 176.91 176.49 2d87 h LEU 12 N 0.00 0.08 -0.44 -0.10 3.38 -1.61 -2.16 115.31 114.46 2d87 h LEU 12 Ca -0.00 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 2d87 h LEU 12 Cb 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2d87 h LEU 12 CO 0.00 0.83 0.21 0.25 0.09 0.00 0.00 178.44 179.82 2d87 h LEU 13 N -0.67 0.58 -0.68 1.67 5.85 -1.59 0.79 115.31 121.26 2d87 h LEU 13 Ca -0.01 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2d87 h LEU 13 Cb 0.84 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2d87 h LEU 13 CO 0.02 0.55 0.27 0.44 -0.34 0.00 0.00 178.44 179.38 2d87 h ASP 14 N 0.57 0.93 0.01 1.25 3.32 -1.51 -2.71 116.42 118.28 2d87 h ASP 14 Ca 0.15 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2d87 h ASP 14 Cb 0.13 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2d87 h ASP 14 CO -0.02 0.85 -0.01 -0.25 -1.72 0.00 0.00 179.24 178.09 2d87 h TRP 15 N 0.96 -0.01 -0.86 4.55 7.01 -1.14 -2.54 115.95 123.91 2d87 h TRP 15 Ca 0.23 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.44 2d87 h TRP 15 Cb 0.20 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.14 2d87 h TRP 15 CO 0.01 0.33 0.32 0.00 -2.79 0.00 0.00 178.44 176.32 2d87 h ARG 17 N 0.34 -0.88 -0.77 0.00 3.08 -1.41 -1.26 114.38 113.48 2d87 h ARG 17 Ca 0.53 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.79 2d87 h ARG 17 Cb 1.00 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 2d87 h ARG 17 CO -0.55 -0.59 -0.22 0.00 -1.07 0.00 0.00 179.97 177.55 2d87 n ALA 18 N -2.63 0.11 -0.13 0.04 0.00 -0.86 0.15 120.51 117.20 2d87 n ALA 18 Ca -0.11 0.83 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 2d87 n ALA 18 Cb 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 2d87 n ALA 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2d87 h LYS 19 N 0.00 0.79 -1.12 0.00 1.79 -1.44 -2.92 116.57 113.67 2d87 h LYS 19 Ca 0.34 -0.34 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2d87 h LYS 19 Cb 0.54 -0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.06 2d87 h LYS 19 CO -0.79 0.96 0.23 2.41 -1.08 0.00 0.00 179.45 181.18 2d87 n THR 20 N -4.28 1.88 -2.70 -0.16 -1.04 0.40 -4.90 114.28 103.48 2d87 n THR 20 Ca -0.02 -0.76 -0.40 0.00 -2.04 0.00 0.00 64.05 60.83 2d87 n THR 20 Cb 0.41 -0.93 -0.05 0.00 -1.82 0.00 0.00 70.33 67.94 2d87 n THR 20 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2d87 s ARG 21 N -1.13 4.79 0.00 -2.82 1.81 0.30 -3.84 118.95 118.06 2d87 s ARG 21 Ca 0.19 1.53 0.00 0.00 -1.72 0.00 0.00 55.73 55.73 2d87 s ARG 21 Cb 0.16 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 2d87 s ARG 21 CO 0.03 0.39 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 2d87 n GLY 22 N 1.67 2.78 2.80 -3.53 0.00 -1.26 -5.02 105.19 102.63 2d87 n GLY 22 Ca -0.01 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.86 2d87 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d87 n TYR 23 N 0.00 0.35 -2.00 1.61 4.01 -1.25 -4.91 117.16 114.97 2d87 n TYR 23 Ca 0.00 0.84 -0.29 0.00 -0.16 0.00 0.00 57.90 58.29 2d87 n TYR 23 Cb 0.00 -1.66 0.05 0.00 -0.31 0.00 0.00 39.34 37.42 2d87 n TYR 23 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2d87 s GLU 24 N -0.14 2.82 -0.05 -0.72 2.12 -1.26 -3.83 118.70 117.64 2d87 s GLU 24 Ca 0.69 0.33 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 2d87 s GLU 24 Cb -0.97 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 31.35 2d87 s GLU 24 CO 0.46 -0.99 0.01 -2.39 -0.54 0.00 0.00 175.26 171.81 2d87 n HIS 25 N -2.93 -1.59 -3.87 5.30 1.44 -1.26 -4.83 115.22 107.48 2d87 n HIS 25 Ca 0.06 0.02 -0.26 0.00 -2.01 0.00 0.00 57.72 55.53 2d87 n HIS 25 Cb 0.57 -0.83 -0.17 0.00 0.12 0.00 0.00 29.99 29.69 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2d87 s VAL 26 N -1.65 0.86 -0.15 0.61 1.01 -1.25 -4.96 120.40 114.87 2d87 s VAL 26 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2d87 s VAL 26 Cb -0.01 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.50 2d87 s VAL 26 CO 0.03 0.31 0.23 -0.62 0.00 0.00 0.00 175.10 175.04 2d87 s ASP 27 N 1.77 0.84 -0.71 3.32 -1.08 -1.26 -4.86 116.67 114.69 2d87 s ASP 27 Ca 0.05 0.21 -0.18 0.00 -0.52 0.00 0.00 52.55 52.10 2d87 s ASP 27 Cb -0.13 0.49 0.13 0.00 -1.46 0.00 0.00 42.92 41.95 2d87 s ASP 27 CO -0.07 -0.28 0.82 -0.63 0.52 0.00 0.00 175.17 175.53 2d87 s ILE 28 N 2.36 4.90 -0.18 4.11 1.01 -1.26 -4.82 121.20 127.32 2d87 s ILE 28 Ca 0.04 -1.32 0.07 0.00 0.00 0.00 0.00 60.65 59.44 2d87 s ILE 28 Cb -0.14 -4.56 -0.22 0.00 0.01 0.00 0.00 42.46 37.55 2d87 s ILE 28 CO -0.09 -1.21 0.12 0.00 0.00 0.00 0.00 174.94 173.75 2d87 n GLN 29 N 6.08 0.68 -3.51 2.79 6.02 -1.26 -4.87 117.38 123.31 2d87 n GLN 29 Ca 0.02 0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 57.04 2d87 n GLN 29 Cb 0.45 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 2d87 n GLN 29 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2d87 s ASN 30 N -6.22 -0.50 -0.48 1.08 4.22 -1.26 -5.04 114.94 106.73 2d87 s ASN 30 Ca -0.20 -0.12 -0.02 0.00 -2.14 0.00 0.00 52.86 50.38 2d87 s ASN 30 Cb 0.07 0.62 0.23 0.00 1.28 0.00 0.00 41.25 43.45 2d87 s ASN 30 CO 0.74 -1.03 2.26 0.49 -2.04 0.00 0.00 177.10 177.52 2d87 n PHE 31 N -0.39 2.03 -0.01 1.54 3.72 -1.26 -3.93 117.46 119.16 2d87 n PHE 31 Ca -0.15 -2.20 -0.01 0.00 -0.05 0.00 0.00 57.45 55.04 2d87 n PHE 31 Cb 0.64 -1.21 -0.00 0.00 -0.94 0.00 0.00 39.48 37.97 2d87 n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2d87 n SER 32 N 0.18 0.24 0.00 4.37 2.88 -1.26 -3.36 113.62 116.67 2d87 n SER 32 Ca 0.45 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2d87 n SER 32 Cb 0.55 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2d87 n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d87 n SER 33 N -2.73 4.86 0.18 -3.46 3.41 -1.26 -3.47 113.62 111.14 2d87 n SER 33 Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 2d87 n SER 33 Cb 0.05 0.77 0.47 0.00 -0.26 0.00 0.00 64.21 65.24 2d87 n SER 33 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d87 h SER 34 N 0.00 0.00 0.00 4.04 0.87 -1.92 0.60 113.55 117.14 2d87 h SER 34 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2d87 h SER 34 Cb 0.41 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 2d87 h SER 34 CO 0.00 0.00 -2.24 0.79 -0.53 0.00 0.00 176.83 174.85 2d87 n TRP 35 N -2.99 0.00 -0.35 2.24 7.02 -1.26 -4.45 117.44 117.64 2d87 n TRP 35 Ca 0.06 0.00 0.32 0.00 -1.02 0.00 0.00 57.50 56.85 2d87 n TRP 35 Cb 0.86 -0.88 0.58 0.00 -2.42 0.00 0.00 31.31 29.45 2d87 n TRP 35 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2d87 h SER 36 N 0.00 0.34 0.39 -0.99 4.64 -0.01 0.02 113.55 117.94 2d87 h SER 36 Ca -0.49 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2d87 h SER 36 Cb 2.05 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 64.34 2d87 h SER 36 CO 0.01 -0.32 -0.34 -2.24 -0.87 0.00 0.00 176.83 173.07 2d87 h ASP 37 N 0.09 -0.92 0.00 4.97 3.04 -1.76 -3.48 116.42 118.36 2d87 h ASP 37 Ca 0.82 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 54.68 2d87 h ASP 37 Cb 2.22 0.29 0.00 0.00 -1.04 0.00 0.00 39.33 40.80 2d87 h ASP 37 CO -0.65 -0.47 0.00 0.61 -2.04 0.00 0.00 179.24 176.69 2d87 n GLY 38 N -1.39 2.77 0.28 7.15 0.00 -0.01 -4.18 105.19 109.82 2d87 n GLY 38 Ca -0.09 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.44 2d87 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d87 n MET 39 N 0.00 -0.14 -0.10 1.61 2.81 -1.26 -0.84 117.12 119.21 2d87 n MET 39 Ca 0.00 1.14 -0.03 0.00 -1.81 0.00 0.00 57.70 57.01 2d87 n MET 39 Cb 0.00 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 30.79 2d87 n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d87 n ALA 40 N -3.65 -0.15 -0.18 3.04 0.00 -1.26 -0.87 120.51 117.44 2d87 n ALA 40 Ca 0.09 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2d87 n ALA 40 Cb 0.32 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 2d87 n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d87 h PHE 41 N 0.00 -1.74 -0.33 0.00 0.04 -1.29 -1.26 116.94 112.37 2d87 h PHE 41 Ca 0.04 0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.93 2d87 h PHE 41 Cb 0.10 0.82 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 2d87 h PHE 41 CO -0.79 -0.48 -0.31 0.00 -0.60 0.00 0.00 178.31 176.13 2d87 h ALA 43 N -0.47 0.24 -0.44 0.00 0.00 -0.46 0.44 119.26 118.56 2d87 h ALA 43 Ca 0.06 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2d87 h ALA 43 Cb 0.29 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2d87 h ALA 43 CO -0.39 -0.56 -0.04 1.25 0.00 0.00 0.00 179.25 179.52 2d87 h LEU 44 N -0.06 -0.26 0.53 0.00 5.85 -0.02 -1.94 115.31 119.42 2d87 h LEU 44 Ca 0.33 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 2d87 h LEU 44 Cb 0.59 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.84 2d87 h LEU 44 CO -0.84 -0.09 -0.26 0.58 -0.34 0.00 0.00 178.44 177.50 2d87 h VAL 45 N 0.07 0.00 -0.77 1.05 2.07 0.86 -3.17 116.25 116.37 2d87 h VAL 45 Ca 0.22 -0.23 0.26 0.00 0.82 0.00 0.00 66.70 67.77 2d87 h VAL 45 Cb 0.33 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.96 2d87 h VAL 45 CO -0.40 0.00 0.19 1.57 0.02 0.00 0.00 177.57 178.95 2d87 n HIS 46 N -4.56 0.66 -0.22 1.57 -0.00 0.13 0.16 115.22 112.97 2d87 n HIS 46 Ca -0.09 0.92 0.02 0.00 -0.00 0.00 0.00 57.72 58.57 2d87 n HIS 46 Cb 0.28 -1.19 0.12 0.00 -0.00 0.00 0.00 29.99 29.21 2d87 n HIS 46 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 2d87 h ASN 47 N 0.00 -0.19 0.09 0.26 -1.24 -1.32 0.19 115.58 113.37 2d87 h ASN 47 Ca 0.55 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.70 2d87 h ASN 47 Cb 1.29 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.59 2d87 h ASN 47 CO -0.67 -0.09 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.08 2d87 h PHE 48 N 0.16 -0.11 -3.06 0.67 0.04 0.15 -3.40 116.94 111.39 2d87 h PHE 48 Ca 0.35 -0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.50 2d87 h PHE 48 Cb 0.57 0.04 -0.41 0.00 2.20 0.00 0.00 35.95 38.35 2d87 h PHE 48 CO -0.34 0.40 -0.69 -0.06 -0.60 0.00 0.00 178.31 177.03 2d87 s PHE 49 N -3.63 2.63 0.12 -0.55 0.08 -0.74 -4.95 117.98 110.93 2d87 s PHE 49 Ca -0.15 -2.85 -0.13 0.00 0.12 0.00 0.00 56.93 53.92 2d87 s PHE 49 Cb 0.01 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.13 2d87 s PHE 49 CO 0.57 -0.71 1.45 -1.00 -0.10 0.00 0.00 175.22 175.43 2d87 h PRO 50 N 6.22 0.81 -0.58 0.24 0.13 -0.87 -3.20 132.00 134.76 2d87 h PRO 50 Ca 0.04 -0.42 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2d87 h PRO 50 Cb 0.87 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 2d87 h PRO 50 CO 0.59 1.06 -0.01 1.05 -0.23 0.00 0.00 178.00 180.46 2d87 h GLU 51 N 0.59 1.01 -0.96 0.86 4.11 -1.93 -3.05 114.58 115.21 2d87 h GLU 51 Ca 0.05 -0.31 0.29 0.00 0.07 0.00 0.00 59.36 59.46 2d87 h GLU 51 Cb 0.90 -0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.89 2d87 h GLU 51 CO 0.08 0.99 0.17 0.00 0.07 0.00 0.00 179.01 180.32 2d87 h ALA 52 N 1.06 1.37 -2.44 1.06 0.00 -1.94 -3.42 119.26 114.95 2d87 h ALA 52 Ca 0.16 0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 2d87 h ALA 52 Cb 0.55 0.48 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 2d87 h ALA 52 CO 0.03 -0.61 0.07 -0.59 0.00 0.00 0.00 179.25 178.14 2d87 s PHE 53 N -5.91 -0.47 -0.07 0.00 -0.71 -1.15 -5.01 117.98 104.66 2d87 s PHE 53 Ca -0.12 0.59 -0.23 0.00 -1.04 0.00 0.00 56.93 56.13 2d87 s PHE 53 Cb 0.29 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 2d87 s PHE 53 CO 0.78 -0.64 0.69 -0.51 -1.34 0.00 0.00 175.22 174.20 2d87 s ASP 54 N -1.84 6.96 -0.13 1.98 1.01 -1.26 -4.71 116.67 118.68 2d87 s ASP 54 Ca -0.06 1.16 -0.11 0.00 0.71 0.00 0.00 52.55 54.25 2d87 s ASP 54 Cb -0.01 -2.40 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 2d87 s ASP 54 CO 0.00 -0.12 0.12 0.22 0.21 0.00 0.00 175.17 175.61 2d87 h TYR 55 N 6.78 0.00 -0.27 4.23 3.20 -1.97 -3.34 116.97 125.60 2d87 h TYR 55 Ca -0.41 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.54 2d87 h TYR 55 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2d87 h TYR 55 CO 0.65 0.37 0.54 0.78 -1.64 0.00 0.00 178.16 178.86 2d87 h GLY 56 N -1.00 0.00 1.74 1.82 0.00 -2.01 0.39 103.07 104.01 2d87 h GLY 56 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2d87 h GLY 56 CO -0.03 0.00 -0.33 1.46 0.00 0.00 0.00 176.54 177.64 2d87 h GLN 57 N 0.00 0.30 -7.44 4.80 1.08 -1.99 -3.44 115.11 108.42 2d87 h GLN 57 Ca 0.13 -0.12 -0.48 0.00 -1.45 0.00 0.00 58.65 56.73 2d87 h GLN 57 Cb 1.21 -0.01 0.12 0.00 -0.05 0.00 0.00 27.48 28.74 2d87 h GLN 57 CO -0.00 0.60 0.32 -0.51 -0.95 0.00 0.00 178.83 178.30 2d87 s LEU 58 N -8.43 2.40 0.11 1.46 1.43 0.14 -5.09 118.68 110.70 2d87 s LEU 58 Ca -0.05 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 2d87 s LEU 58 Cb 0.14 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2d87 s LEU 58 CO 0.77 -2.17 -0.16 -0.44 0.23 0.00 0.00 176.35 174.59 2d87 s SER 59 N -3.95 2.09 0.23 2.29 0.01 -1.26 -5.04 113.70 108.07 2d87 s SER 59 Ca 0.62 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2d87 s SER 59 Cb -0.14 -0.08 0.25 0.00 0.21 0.00 0.00 66.02 66.25 2d87 s SER 59 CO 0.54 -0.09 1.60 1.55 0.41 0.00 0.00 173.24 177.25 2d87 h PRO 60 N 3.71 0.48 0.00 12.44 0.13 -1.98 -2.85 132.00 143.93 2d87 h PRO 60 Ca -0.41 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2d87 h PRO 60 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2d87 h PRO 60 CO 0.47 0.82 0.02 1.96 -0.23 0.00 0.00 178.00 181.05 2d87 h GLN 61 N 0.39 0.00 -5.99 0.86 4.20 -1.96 -3.39 115.11 109.21 2d87 h GLN 61 Ca 0.03 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.13 2d87 h GLN 61 Cb 0.92 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.60 2d87 h GLN 61 CO 0.08 0.00 0.50 -0.80 -0.67 0.00 0.00 178.83 177.94 2d87 s ASN 62 N -4.93 6.54 -0.09 1.46 0.01 -1.08 -4.90 114.94 111.96 2d87 s ASN 62 Ca -0.04 0.26 -0.06 0.00 -0.71 0.00 0.00 52.86 52.31 2d87 s ASN 62 Cb 0.12 -2.43 -0.27 0.00 0.41 0.00 0.00 41.25 39.08 2d87 s ASN 62 CO 0.37 -0.90 0.49 0.03 -1.51 0.00 0.00 177.10 175.58 2d87 h ARG 63 N 8.77 0.27 0.00 -0.60 3.08 -1.77 -3.33 114.38 120.80 2d87 h ARG 63 Ca -0.24 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.35 2d87 h ARG 63 Cb 1.08 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2d87 h ARG 63 CO 0.98 1.17 -0.04 -0.09 -1.07 0.00 0.00 179.97 180.92 2d87 h ARG 64 N 0.07 0.00 -0.88 0.04 2.43 -1.90 -3.33 114.38 110.81 2d87 h ARG 64 Ca -0.38 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.89 2d87 h ARG 64 Cb 2.05 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 31.48 2d87 h ARG 64 CO 0.11 0.00 -0.46 0.94 -1.51 0.00 0.00 179.97 179.06 2d87 n GLN 65 N -3.74 -0.32 -0.33 0.20 -0.06 -1.26 0.27 117.38 112.13 2d87 n GLN 65 Ca -0.01 1.34 0.02 0.00 -2.00 0.00 0.00 57.00 56.35 2d87 n GLN 65 Cb 0.02 -1.98 0.08 0.00 -4.06 0.00 0.00 30.24 24.31 2d87 n GLN 65 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2d87 h ASN 66 N 0.00 -1.09 0.49 1.69 2.35 -1.74 0.22 115.58 117.49 2d87 h ASN 66 Ca 0.20 0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 2d87 h ASN 66 Cb 0.42 0.64 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2d87 h ASN 66 CO -0.84 -0.30 -0.23 -0.26 -1.65 0.00 0.00 177.43 174.14 2d87 h PHE 67 N -0.02 -0.60 -0.89 1.19 -1.00 -0.29 -1.44 116.94 113.88 2d87 h PHE 67 Ca 0.39 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 61.28 2d87 h PHE 67 Cb 0.63 0.20 -0.14 0.00 3.61 0.00 0.00 35.95 40.25 2d87 h PHE 67 CO -0.76 -0.38 -0.43 0.93 -1.61 0.00 0.00 178.31 176.06 2d87 h GLU 68 N -0.70 -0.05 -0.98 1.51 4.39 -0.49 0.69 114.58 118.94 2d87 h GLU 68 Ca -0.07 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.75 2d87 h GLU 68 Cb 0.50 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 2d87 h GLU 68 CO 0.11 -0.03 0.62 0.28 -1.16 0.00 0.00 179.01 178.83 2d87 h VAL 69 N -0.05 0.94 -0.22 3.13 2.07 -0.61 0.24 116.25 121.75 2d87 h VAL 69 Ca 0.27 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2d87 h VAL 69 Cb 0.55 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2d87 h VAL 69 CO -0.90 0.18 0.06 0.00 0.02 0.00 0.00 177.57 176.93 2d87 h ALA 70 N 1.54 0.30 0.36 1.67 0.00 0.14 0.13 119.26 123.39 2d87 h ALA 70 Ca 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2d87 h ALA 70 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2d87 h ALA 70 CO -0.24 -0.07 -0.18 0.74 0.00 0.00 0.00 179.25 179.51 2d87 h PHE 71 N 0.19 -0.45 0.01 0.00 0.04 -0.05 -3.11 116.94 113.56 2d87 h PHE 71 Ca 0.07 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.85 2d87 h PHE 71 Cb 0.26 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 2d87 h PHE 71 CO 0.01 -0.13 -0.16 1.03 -0.60 0.00 0.00 178.31 178.46 2d87 h SER 72 N -0.83 -0.47 -0.97 2.17 0.87 -0.60 -1.48 113.55 112.23 2d87 h SER 72 Ca -0.05 0.07 0.32 0.00 -1.23 0.00 0.00 61.79 60.90 2d87 h SER 72 Cb 0.53 0.20 -0.17 0.00 -0.44 0.00 0.00 62.40 62.52 2d87 h SER 72 CO 0.08 -0.23 0.30 0.28 -0.53 0.00 0.00 176.83 176.74 2d87 h SER 73 N -0.27 -0.01 0.17 6.23 0.02 -0.81 0.12 113.55 119.00 2d87 h SER 73 Ca 0.05 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2d87 h SER 73 Cb 0.34 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2d87 h SER 73 CO -0.15 -0.32 -0.08 0.00 -1.14 0.00 0.00 176.83 175.14 2d87 h ALA 74 N 1.94 -0.41 -1.28 3.77 0.00 -1.32 -3.23 119.26 118.73 2d87 h ALA 74 Ca 0.69 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.92 2d87 h ALA 74 Cb 1.60 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 2d87 h ALA 74 CO -0.79 -0.39 1.21 1.49 0.00 0.00 0.00 179.25 180.77 2d87 h GLU 75 N -0.53 0.00 -0.11 0.00 4.81 -0.55 0.19 114.58 118.39 2d87 h GLU 75 Ca -0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2d87 h GLU 75 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2d87 h GLU 75 CO 0.04 0.00 -0.07 1.15 -0.73 0.00 0.00 179.01 179.40 2d87 h THR 76 N 0.00 0.00 0.00 0.32 2.02 -0.81 -1.53 112.91 112.91 2d87 h THR 76 Ca 0.61 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.78 2d87 h THR 76 Cb 3.01 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2d87 h THR 76 CO -0.01 0.00 -1.28 0.00 0.37 0.00 0.00 175.52 174.60 2d87 n HIS 77 N -3.23 0.00 0.43 3.16 1.44 -0.81 -4.55 115.22 111.66 2d87 n HIS 77 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 2d87 n HIS 77 Cb 0.03 -0.14 0.21 0.00 0.12 0.00 0.00 29.99 30.21 2d87 n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2d87 h ALA 78 N 0.53 0.79 -7.10 1.59 0.00 -0.76 -3.47 119.26 110.85 2d87 h ALA 78 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2d87 h ALA 78 Cb 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.90 2d87 h ALA 78 CO 0.00 0.00 -0.97 -3.47 0.00 0.00 0.00 179.25 174.81 2d87 n ASP 79 N -2.48 0.80 -4.76 0.00 2.03 -0.58 -4.82 116.55 106.74 2d87 n ASP 79 Ca 0.04 -1.28 -0.40 0.00 0.52 0.00 0.00 54.79 53.66 2d87 n ASP 79 Cb 0.48 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.24 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d87 s PRO 81 N -1.36 2.57 -0.59 0.00 0.04 -1.26 -4.70 135.00 129.71 2d87 s PRO 81 Ca 0.46 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 2d87 s PRO 81 Cb -0.33 -4.92 -0.13 0.00 0.04 0.00 0.00 34.50 29.17 2d87 s PRO 81 CO 0.42 -3.24 2.41 1.04 0.04 0.00 0.00 177.00 177.67 2d87 n GLN 82 N 8.93 0.74 -0.05 4.56 6.02 -1.26 -4.81 117.38 131.51 2d87 n GLN 82 Ca 0.36 0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 57.42 2d87 n GLN 82 Cb 0.48 -2.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.23 2d87 n GLN 82 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2d87 h LEU 83 N 14.66 0.00 -9.77 1.08 3.38 -2.00 -3.47 115.31 119.20 2d87 h LEU 83 Ca -0.19 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.25 2d87 h LEU 83 Cb 1.30 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.12 2d87 h LEU 83 CO 1.17 0.57 0.85 -0.76 0.09 0.00 0.00 178.44 180.36 2d87 s LEU 84 N -7.64 4.36 -0.81 1.67 1.43 -1.26 -4.94 118.68 111.49 2d87 s LEU 84 Ca -0.09 2.83 -0.19 0.00 -1.03 0.00 0.00 54.13 55.65 2d87 s LEU 84 Cb 0.01 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.72 2d87 s LEU 84 CO 0.13 -0.84 1.00 -0.62 0.23 0.00 0.00 176.35 176.25 2d87 s ASP 85 N 0.52 6.47 0.21 2.29 -1.08 -1.26 -4.91 116.67 118.90 2d87 s ASP 85 Ca 0.63 -1.76 -0.13 0.00 -0.52 0.00 0.00 52.55 50.76 2d87 s ASP 85 Cb -0.46 -2.37 0.25 0.00 -1.46 0.00 0.00 42.92 38.88 2d87 s ASP 85 CO 0.45 -1.12 1.36 0.41 0.52 0.00 0.00 175.17 176.78 2d87 n THR 86 N 5.49 -0.44 -0.27 1.71 -1.04 -1.26 0.68 114.28 119.15 2d87 n THR 86 Ca 0.12 2.04 0.02 0.00 -2.04 0.00 0.00 64.05 64.19 2d87 n THR 86 Cb 0.47 -2.72 0.10 0.00 -1.82 0.00 0.00 70.33 66.36 2d87 n THR 86 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2d87 h GLU 87 N 0.00 0.01 -0.00 -2.82 4.39 -2.01 0.40 114.58 114.55 2d87 h GLU 87 Ca 0.33 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.85 2d87 h GLU 87 Cb 0.55 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2d87 h GLU 87 CO -0.88 0.00 -0.82 -0.44 -1.16 0.00 0.00 179.01 175.72 2d87 h ASP 88 N 0.01 0.12 -0.40 1.42 3.32 -0.16 -3.26 116.42 117.47 2d87 h ASP 88 Ca 0.38 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2d87 h ASP 88 Cb 0.59 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2d87 h ASP 88 CO -0.79 0.88 0.22 0.24 -1.72 0.00 0.00 179.24 178.07 2d87 h MET 89 N 0.05 0.55 0.07 3.56 2.86 0.36 -0.04 114.93 122.34 2d87 h MET 89 Ca -0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2d87 h MET 89 Cb 1.43 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2d87 h MET 89 CO 0.12 0.45 -0.10 0.28 1.06 0.00 0.00 176.91 178.72 2d87 h VAL 90 N 0.51 0.00 -0.65 -2.22 2.07 -0.60 -2.92 116.25 112.44 2d87 h VAL 90 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 2d87 h VAL 90 Cb 0.06 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.75 2d87 h VAL 90 CO -0.02 0.00 0.24 0.08 0.02 0.00 0.00 177.57 177.89 2d87 h ARG 91 N -0.17 0.41 -6.20 1.57 0.11 -1.63 -3.41 114.38 105.06 2d87 h ARG 91 Ca -0.01 -0.02 -0.63 0.00 0.10 0.00 0.00 59.98 59.42 2d87 h ARG 91 Cb 0.16 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.15 2d87 h ARG 91 CO -0.03 0.27 1.18 1.28 0.10 0.00 0.00 179.97 182.77 2d87 n LEU 92 N -5.00 3.19 -0.30 0.08 4.77 -0.03 -4.81 117.00 114.91 2d87 n LEU 92 Ca 0.10 0.82 0.20 0.00 -0.03 0.00 0.00 56.01 57.11 2d87 n LEU 92 Cb 0.31 -1.36 0.38 0.00 -2.33 0.00 0.00 43.42 40.42 2d87 n LEU 92 CO 0.21 -0.23 0.82 -1.14 -1.33 0.00 0.00 177.39 175.73 2d87 n ARG 93 N 7.03 -0.06 -3.59 3.23 0.00 -1.26 -4.55 116.66 117.45 2d87 n ARG 93 Ca 0.26 1.30 -0.13 0.00 -0.00 0.00 0.00 57.85 59.29 2d87 n ARG 93 Cb 0.29 -2.18 -0.06 0.00 0.00 0.00 0.00 32.46 30.50 2d87 n ARG 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2d87 s GLU 94 N -5.65 0.74 0.08 -0.14 1.03 -1.26 -4.96 118.70 108.53 2d87 s GLU 94 Ca -0.10 0.52 -0.31 0.00 0.03 0.00 0.00 54.97 55.11 2d87 s GLU 94 Cb 0.28 0.35 -0.07 0.00 -0.80 0.00 0.00 34.13 33.90 2d87 s GLU 94 CO 0.70 -0.16 1.39 -1.25 -1.33 0.00 0.00 175.26 174.61 2d87 s PRO 95 N -0.37 4.32 -0.05 -4.83 0.04 -1.23 -4.95 135.00 127.93 2d87 s PRO 95 Ca -0.02 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2d87 s PRO 95 Cb -0.03 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 2d87 s PRO 95 CO 0.01 -0.47 1.71 0.16 0.04 0.00 0.00 177.00 178.45 2d87 s ASP 96 N 1.35 6.61 0.29 6.66 -4.77 -1.26 -4.52 116.67 121.03 2d87 s ASP 96 Ca 0.64 2.28 -0.02 0.00 -3.30 0.00 0.00 52.55 52.15 2d87 s ASP 96 Cb -0.35 -2.53 0.62 0.00 -1.09 0.00 0.00 42.92 39.57 2d87 s ASP 96 CO 0.29 -0.97 1.59 4.11 0.70 0.00 0.00 175.17 180.89 2d87 h TRP 97 N 9.80 -0.13 -1.00 2.11 5.08 -1.88 0.41 115.95 130.33 2d87 h TRP 97 Ca -0.41 0.07 0.33 0.00 1.08 0.00 0.00 58.89 59.97 2d87 h TRP 97 Cb 1.19 0.21 -0.18 0.00 -3.00 0.00 0.00 29.16 27.37 2d87 h TRP 97 CO 0.90 -0.38 0.25 0.87 -1.28 0.00 0.00 178.44 178.80 2d87 h LYS 98 N 0.03 0.01 0.00 0.12 1.57 -1.89 0.93 116.57 117.34 2d87 h LYS 98 Ca 0.53 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2d87 h LYS 98 Cb 1.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2d87 h LYS 98 CO -0.88 0.01 -0.00 0.00 -0.57 0.00 0.00 179.45 178.01 2d87 n VAL 100 N -4.38 -0.51 -0.30 0.00 0.31 -0.75 0.92 118.33 113.62 2d87 n VAL 100 Ca -0.00 2.07 0.28 0.00 -0.01 0.00 0.00 64.34 66.68 2d87 n VAL 100 Cb 0.00 -2.58 0.52 0.00 -0.91 0.00 0.00 33.84 30.87 2d87 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d87 n TYR 101 N -4.74 1.04 0.15 3.52 4.19 0.25 0.62 117.16 122.20 2d87 n TYR 101 Ca 0.01 1.09 -0.13 0.00 3.31 0.00 0.00 57.90 62.18 2d87 n TYR 101 Cb 0.19 -1.48 -0.07 0.00 0.49 0.00 0.00 39.34 38.48 2d87 n TYR 101 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 2d87 h THR 102 N 0.00 0.63 -0.40 2.97 2.02 0.41 -1.97 112.91 116.57 2d87 h THR 102 Ca 0.77 0.00 0.05 0.00 0.77 0.00 0.00 66.41 68.00 2d87 h THR 102 Cb 2.01 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 2d87 h THR 102 CO -0.73 0.00 0.12 0.22 0.37 0.00 0.00 175.52 175.50 2d87 h TYR 103 N -0.39 0.20 -0.60 3.16 5.03 0.32 0.20 116.97 124.89 2d87 h TYR 103 Ca -0.01 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.43 2d87 h TYR 103 Cb 0.35 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.52 2d87 h TYR 103 CO -0.12 0.06 0.18 0.82 -1.32 0.00 0.00 178.16 177.78 2d87 h ILE 104 N 0.26 0.71 -0.16 1.81 1.08 -1.15 0.89 117.51 120.94 2d87 h ILE 104 Ca 0.19 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.47 2d87 h ILE 104 Cb 0.20 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2d87 h ILE 104 CO -0.22 0.06 -0.18 -0.61 -0.69 0.00 0.00 178.15 176.52 2d87 h GLN 105 N 0.33 0.41 -0.18 2.37 4.15 -0.71 -1.83 115.11 119.65 2d87 h GLN 105 Ca 0.31 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 59.56 2d87 h GLN 105 Cb 0.43 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 2d87 h GLN 105 CO -0.35 0.79 -0.13 1.49 -1.93 0.00 0.00 178.83 178.70 2d87 h GLU 106 N 0.05 -0.12 0.55 1.69 4.57 -0.01 -1.19 114.58 120.12 2d87 h GLU 106 Ca 0.02 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2d87 h GLU 106 Cb 0.72 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2d87 h GLU 106 CO 0.04 -0.08 -0.26 0.35 -1.18 0.00 0.00 179.01 177.88 2d87 h PHE 107 N -0.13 -0.68 -0.84 0.92 3.57 -0.88 -2.85 116.94 116.05 2d87 h PHE 107 Ca 0.11 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.79 2d87 h PHE 107 Cb 0.29 0.22 -0.15 0.00 2.79 0.00 0.00 35.95 39.10 2d87 h PHE 107 CO -0.27 -0.38 -0.01 -0.92 -2.23 0.00 0.00 178.31 174.50 2d87 h TYR 108 N -0.85 -0.09 -0.55 0.41 5.03 -1.15 0.91 116.97 120.68 2d87 h TYR 108 Ca -0.07 0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.35 2d87 h TYR 108 Cb 0.61 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.03 2d87 h TYR 108 CO -0.02 -0.31 0.37 -0.09 -1.32 0.00 0.00 178.16 176.79 2d87 h ARG 109 N 0.07 0.53 -0.07 1.82 2.43 -1.10 -1.10 114.38 116.96 2d87 h ARG 109 Ca 0.47 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.43 2d87 h ARG 109 Cb 0.86 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2d87 h ARG 109 CO -0.77 0.35 -0.70 0.00 -1.51 0.00 0.00 179.97 177.35 2d87 h LEU 111 N 0.24 0.45 -1.99 0.00 3.38 0.09 -2.75 115.31 114.73 2d87 h LEU 111 Ca -0.02 -0.31 0.25 0.00 0.09 0.00 0.00 57.88 57.88 2d87 h LEU 111 Cb 1.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2d87 h LEU 111 CO 0.12 0.65 0.63 0.58 0.09 0.00 0.00 178.44 180.51 2d87 h VAL 112 N 0.23 0.55 0.22 1.22 2.07 -1.37 -1.51 116.25 117.65 2d87 h VAL 112 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2d87 h VAL 112 Cb 0.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2d87 h VAL 112 CO 0.01 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 179.06 2d87 h GLN 113 N 0.00 -0.28 -0.68 1.57 4.20 -1.55 -3.21 115.11 115.16 2d87 h GLN 113 Ca 0.41 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.34 2d87 h GLN 113 Cb 1.67 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.49 2d87 h GLN 113 CO -0.00 0.07 0.53 0.87 -0.67 0.00 0.00 178.83 179.62 2d87 h LYS 114 N -0.94 0.00 0.00 1.46 6.56 -1.19 -3.45 116.57 119.02 2d87 h LYS 114 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2d87 h LYS 114 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2d87 h LYS 114 CO 0.05 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.85 2d87 n GLY 115 N -1.64 1.74 0.07 3.86 0.00 -0.70 -5.04 105.19 103.48 2d87 n GLY 115 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2d87 n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d87 h LEU 116 N 0.00 0.00 -9.09 0.99 3.38 -1.74 -3.45 115.31 105.39 2d87 h LEU 116 Ca 0.00 -0.22 -0.58 0.00 0.09 0.00 0.00 57.88 57.18 2d87 h LEU 116 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2d87 h LEU 116 CO 0.00 0.89 0.83 -0.69 0.09 0.00 0.00 178.44 179.56 2d87 s VAL 117 N -2.11 4.55 -0.42 1.22 1.01 -1.26 -4.93 120.40 118.46 2d87 s VAL 117 Ca -0.15 1.87 0.09 0.00 0.00 0.00 0.00 61.98 63.79 2d87 s VAL 117 Cb 0.02 -4.22 0.42 0.00 0.00 0.00 0.00 36.38 32.60 2d87 s VAL 117 CO 0.30 -0.18 1.04 0.29 0.00 0.00 0.00 175.10 176.56 2d87 n LYS 118 N 6.44 2.75 -4.41 2.72 5.02 -1.26 -4.72 118.16 124.70 2d87 n LYS 118 Ca 0.13 -4.18 -0.27 0.00 -2.02 0.00 0.00 58.31 51.97 2d87 n LYS 118 Cb 0.46 -1.97 -0.12 0.00 -0.02 0.00 0.00 35.03 33.38 2d87 n LYS 118 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2d87 s THR 119 N -4.74 2.36 -1.44 -0.18 -4.23 -1.26 -4.76 115.64 101.40 2d87 s THR 119 Ca 0.42 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2d87 s THR 119 Cb 0.40 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 72.14 2d87 s THR 119 CO -0.12 -0.06 0.24 1.17 -0.54 0.00 0.00 174.62 175.30 2d87 n LYS 120 N 0.43 -1.12 -2.37 3.99 0.00 -1.26 -4.83 118.16 112.99 2d87 n LYS 120 Ca -0.14 0.14 -0.41 0.00 0.00 0.00 0.00 58.31 57.91 2d87 n LYS 120 Cb 0.55 -3.49 0.03 0.00 0.00 0.00 0.00 35.03 32.12 2d87 n LYS 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2d87 n LYS 121 N -4.66 4.48 -1.64 1.64 4.76 -1.26 -4.83 118.16 116.65 2d87 n LYS 121 Ca -0.27 -4.24 -0.33 0.00 -2.87 0.00 0.00 58.31 50.60 2d87 n LYS 121 Cb 0.66 -2.40 -0.04 0.00 -1.84 0.00 0.00 35.03 31.41 2d87 n LYS 121 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2d87 n SER 122 N -0.21 7.32 -4.48 4.39 7.64 -1.26 -4.98 113.62 122.03 2d87 n SER 122 Ca 0.50 -3.03 -0.50 0.00 1.01 0.00 0.00 58.87 56.85 2d87 n SER 122 Cb 0.25 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.06 2d87 n SER 122 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d87 n SER 123 N 1.74 -0.12 0.00 6.43 3.41 -1.26 -4.86 113.62 118.96 2d87 n SER 123 Ca 0.58 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.33 2d87 n SER 123 Cb 0.42 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2d87 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d87 n GLY 124 N 1.80 -0.54 3.57 5.00 0.00 -1.26 -5.06 105.19 108.71 2d87 n GLY 124 Ca 0.17 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2d87 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d87 s PRO 125 N -0.80 2.52 0.06 1.61 0.04 -1.26 -4.47 135.00 132.69 2d87 s PRO 125 Ca 0.00 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.23 2d87 s PRO 125 Cb 0.00 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2d87 s PRO 125 CO 0.00 -3.74 0.00 0.43 0.04 0.00 0.00 177.00 173.73 2d87 n SER 126 N 14.21 0.53 0.27 6.66 7.64 -1.26 -4.88 113.62 136.79 2d87 n SER 126 Ca 0.43 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 60.26 2d87 n SER 126 Cb 0.47 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2d87 n SER 126 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d87 h SER 127 N 0.00 -0.62 0.00 6.43 0.87 -2.04 -3.56 113.55 114.63 2d87 h SER 127 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2d87 h SER 127 Cb 0.47 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2d87 h SER 127 CO 0.00 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.69