#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nen n ILE 2 N 0.00 0.00 -2.63 1.12 -5.35 -0.38 -4.91 119.36 107.20 1nen n ILE 2 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1nen n ILE 2 Cb 0.00 -1.58 -0.02 0.00 -1.74 0.00 0.00 39.64 36.30 1nen n ILE 2 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1nen s ARG 3 N -0.90 3.85 -0.79 6.28 0.52 -1.26 -3.56 118.95 123.10 1nen s ARG 3 Ca 0.00 0.74 -0.05 0.00 -0.52 0.00 0.00 55.73 55.90 1nen s ARG 3 Cb 0.00 -3.84 0.01 0.00 0.52 0.00 0.00 34.95 31.64 1nen s ARG 3 CO 0.00 -1.17 0.69 -1.71 0.02 0.00 0.00 175.30 173.13 1nen n ASN 4 N 7.40 -4.47 -3.65 0.23 4.05 -1.26 -5.03 115.26 112.52 1nen n ASN 4 Ca 0.12 -0.32 -0.03 0.00 0.45 0.00 0.00 54.58 54.80 1nen n ASN 4 Cb 0.48 -3.16 -0.05 0.00 1.23 0.00 0.00 39.78 38.28 1nen n ASN 4 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1nen s VAL 5 N -3.19 -0.72 0.11 3.44 1.01 -1.23 -5.19 120.40 114.62 1nen s VAL 5 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1nen s VAL 5 Cb -0.15 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1nen s VAL 5 CO 0.43 0.00 0.08 1.17 0.00 0.00 0.00 175.10 176.78 1nen n LYS 6 N 5.14 1.34 -1.87 2.72 4.81 -1.26 -1.25 118.16 127.79 1nen n LYS 6 Ca -0.14 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 56.64 1nen n LYS 6 Cb 0.52 0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1nen n LYS 6 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1nen n LYS 7 N -0.75 -0.68 -4.04 1.64 5.02 -1.26 -4.69 118.16 113.41 1nen n LYS 7 Ca -0.00 0.48 -0.32 0.00 -2.02 0.00 0.00 58.31 56.45 1nen n LYS 7 Cb 0.12 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 1nen n LYS 7 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1nen s GLN 8 N -0.07 2.30 0.43 1.97 0.74 -1.26 -4.81 119.66 118.97 1nen s GLN 8 Ca 0.00 -1.00 -0.23 0.00 0.05 0.00 0.00 55.36 54.19 1nen s GLN 8 Cb 0.00 -2.60 -0.11 0.00 1.10 0.00 0.00 33.01 31.40 1nen s GLN 8 CO 0.00 -0.42 0.78 0.54 -0.55 0.00 0.00 175.29 175.64 1nen n ARG 9 N 4.59 0.93 -1.46 1.67 1.74 -1.26 -4.99 116.66 117.89 1nen n ARG 9 Ca -0.16 0.34 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 1nen n ARG 9 Cb 0.46 -1.79 0.14 0.00 -1.02 0.00 0.00 32.46 30.25 1nen n ARG 9 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1nen s PRO 10 N -1.87 1.06 -0.01 5.56 0.02 -1.26 -5.10 135.00 133.41 1nen s PRO 10 Ca 0.64 0.37 -0.01 0.00 0.02 0.00 0.00 61.00 62.03 1nen s PRO 10 Cb -0.57 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1nen s PRO 10 CO 0.57 -2.27 0.02 0.08 -0.33 0.00 0.00 177.00 175.07 1nen s VAL 11 N -3.20 -0.00 -0.50 3.83 1.01 -1.26 -5.10 120.40 115.19 1nen s VAL 11 Ca 0.64 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.37 1nen s VAL 11 Cb -0.16 -0.04 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1nen s VAL 11 CO 0.54 0.00 0.95 0.21 0.00 0.00 0.00 175.10 176.80 1nen s ASN 12 N 0.03 6.45 0.00 3.32 2.47 -1.26 -4.78 114.94 121.16 1nen s ASN 12 Ca -0.00 -0.03 0.15 0.00 0.42 0.00 0.00 52.86 53.41 1nen s ASN 12 Cb -0.00 -2.45 0.26 0.00 -1.45 0.00 0.00 41.25 37.60 1nen s ASN 12 CO -0.00 -1.13 1.08 0.18 -3.72 0.00 0.00 177.10 173.51 1nen n LEU 13 N 7.33 0.31 -4.60 3.21 4.77 -1.26 -5.05 117.00 121.72 1nen n LEU 13 Ca 0.05 -1.88 -0.43 0.00 -0.03 0.00 0.00 56.01 53.72 1nen n LEU 13 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1nen n LEU 13 CO 0.64 0.78 1.07 -0.62 -1.33 0.00 0.00 177.39 177.93 1nen s ASP 14 N -1.56 6.55 0.54 -1.43 -1.08 -1.26 -4.88 116.67 113.56 1nen s ASP 14 Ca 0.20 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 52.88 1nen s ASP 14 Cb 0.23 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.63 1nen s ASP 14 CO -0.10 -1.33 2.18 -0.07 0.52 0.00 0.00 175.17 176.36 1nen h LEU 15 N 11.51 0.00 -0.32 -1.34 3.38 -1.97 0.75 115.31 127.33 1nen h LEU 15 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nen h LEU 15 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1nen h LEU 15 CO 1.14 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1nen n GLN 16 N -4.17 0.12 0.05 1.13 6.02 -1.26 -1.71 117.38 117.56 1nen n GLN 16 Ca -0.03 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 1nen n GLN 16 Cb 0.11 -1.71 0.11 0.00 1.02 0.00 0.00 30.24 29.77 1nen n GLN 16 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1nen n THR 17 N -1.94 0.29 -4.16 5.09 -1.04 0.25 -4.88 114.28 107.90 1nen n THR 17 Ca 0.03 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1nen n THR 17 Cb 0.25 -0.01 -0.10 0.00 -1.82 0.00 0.00 70.33 68.65 1nen n THR 17 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1nen s ILE 18 N -3.19 4.58 -0.32 12.58 1.01 -0.69 -5.05 121.20 130.11 1nen s ILE 18 Ca 0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 1nen s ILE 18 Cb 0.14 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 1nen s ILE 18 CO 0.76 0.52 0.71 -0.60 0.00 0.00 0.00 174.94 176.32 1nen s ARG 19 N -0.11 3.86 -0.27 2.79 3.52 -1.26 -4.97 118.95 122.52 1nen s ARG 19 Ca 0.06 0.36 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1nen s ARG 19 Cb -0.12 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 1nen s ARG 19 CO 0.02 -0.67 0.13 -0.06 -0.81 0.00 0.00 175.30 173.90 1nen s PHE 20 N 2.82 3.15 1.11 5.12 0.40 -1.26 -5.10 117.98 124.21 1nen s PHE 20 Ca 0.28 -0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 1nen s PHE 20 Cb -0.14 -2.31 0.12 0.00 0.51 0.00 0.00 43.02 41.19 1nen s PHE 20 CO 0.13 -0.30 0.13 -2.30 0.70 0.00 0.00 175.22 173.59 1nen n PRO 21 N 4.99 -1.55 0.08 0.24 -0.02 -1.26 -4.75 135.00 132.72 1nen n PRO 21 Ca -0.15 -0.43 -0.01 0.00 -2.02 0.00 0.00 63.50 60.88 1nen n PRO 21 Cb 0.51 -1.76 0.26 0.00 -0.02 0.00 0.00 33.50 32.50 1nen n PRO 21 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1nen h ILE 22 N -2.08 1.26 -0.00 4.25 2.10 -1.99 -2.32 117.51 118.73 1nen h ILE 22 Ca -0.53 -1.25 -0.04 0.00 1.08 0.00 0.00 64.86 64.12 1nen h ILE 22 Cb 1.35 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 38.53 1nen h ILE 22 CO 0.39 0.38 -0.18 0.71 -1.08 0.00 0.00 178.15 178.38 1nen h THR 23 N 0.28 1.13 0.00 2.19 1.35 -1.90 0.10 112.91 116.06 1nen h THR 23 Ca 0.04 -0.61 -0.19 0.00 -0.55 0.00 0.00 66.41 65.10 1nen h THR 23 Cb 0.65 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1nen h THR 23 CO 0.05 0.17 -0.85 0.00 -0.25 0.00 0.00 175.52 174.65 1nen h ALA 24 N 1.82 0.57 -0.15 6.62 0.00 -1.74 -2.86 119.26 123.53 1nen h ALA 24 Ca -0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 54.91 53.96 1nen h ALA 24 Cb 0.31 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nen h ALA 24 CO 0.02 0.93 -0.79 0.82 0.00 0.00 0.00 179.25 180.24 1nen h ILE 25 N 0.08 1.28 0.04 0.00 1.08 -1.00 -2.80 117.51 116.18 1nen h ILE 25 Ca -0.03 -1.98 0.03 0.00 -0.39 0.00 0.00 64.86 62.49 1nen h ILE 25 Cb 1.47 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 37.18 1nen h ILE 25 CO 0.12 0.63 -0.24 0.00 -0.69 0.00 0.00 178.15 177.97 1nen h ALA 26 N 0.54 -0.35 -0.16 1.87 0.00 -0.81 -2.37 119.26 117.97 1nen h ALA 26 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1nen h ALA 26 Cb 1.42 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1nen h ALA 26 CO 0.16 -0.75 -0.48 0.66 0.00 0.00 0.00 179.25 178.84 1nen h SER 27 N -0.40 0.46 0.35 0.00 4.64 -1.56 -2.71 113.55 114.33 1nen h SER 27 Ca 0.05 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1nen h SER 27 Cb 0.46 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1nen h SER 27 CO -0.19 0.87 -0.36 -0.29 -0.87 0.00 0.00 176.83 175.99 1nen h ILE 28 N 0.34 1.26 0.00 0.95 2.10 -1.39 -1.38 117.51 119.40 1nen h ILE 28 Ca 0.02 -1.26 -0.14 0.00 1.08 0.00 0.00 64.86 64.56 1nen h ILE 28 Cb 0.97 1.66 -0.02 0.00 -1.09 0.00 0.00 36.82 38.34 1nen h ILE 28 CO 0.08 0.36 -0.65 -0.07 -1.08 0.00 0.00 178.15 176.80 1nen h LEU 29 N 0.02 0.00 -0.56 2.19 3.38 -1.31 -1.29 115.31 117.75 1nen h LEU 29 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1nen h LEU 29 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1nen h LEU 29 CO 0.05 0.65 0.02 -0.74 0.09 0.00 0.00 178.44 178.51 1nen h HIS 30 N 0.00 1.05 -0.30 1.13 2.76 -0.97 0.40 115.15 119.22 1nen h HIS 30 Ca -0.01 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1nen h HIS 30 Cb 1.17 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1nen h HIS 30 CO 0.00 0.95 0.09 -0.09 -1.30 0.00 0.00 177.93 177.58 1nen h ARG 31 N 0.86 0.47 -0.52 5.26 2.43 -1.01 -1.97 114.38 119.89 1nen h ARG 31 Ca 0.16 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1nen h ARG 31 Cb 0.51 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1nen h ARG 31 CO 0.02 0.53 0.15 0.28 -1.51 0.00 0.00 179.97 179.44 1nen h VAL 32 N 0.33 1.24 -0.92 0.20 2.07 -0.97 -2.51 116.25 115.68 1nen h VAL 32 Ca 0.10 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1nen h VAL 32 Cb 0.25 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1nen h VAL 32 CO -0.00 0.30 0.60 0.77 0.02 0.00 0.00 177.57 179.25 1nen h SER 33 N 0.72 0.93 0.02 0.57 4.64 -0.10 -1.57 113.55 118.76 1nen h SER 33 Ca 0.17 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1nen h SER 33 Cb 0.30 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1nen h SER 33 CO -0.00 0.60 -0.01 1.23 -0.87 0.00 0.00 176.83 177.77 1nen h GLY 34 N 1.06 -0.03 1.61 -0.77 0.00 -0.92 -0.01 103.07 104.00 1nen h GLY 34 Ca 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1nen h GLY 34 CO -0.15 -0.01 0.04 -2.08 0.00 0.00 0.00 176.54 174.34 1nen h VAL 35 N -0.06 1.17 -0.26 4.60 2.07 -1.20 0.19 116.25 122.77 1nen h VAL 35 Ca -0.00 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1nen h VAL 35 Cb 0.05 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1nen h VAL 35 CO 0.00 0.23 0.09 0.40 0.02 0.00 0.00 177.57 178.31 1nen h ILE 36 N 0.48 1.19 0.00 4.57 5.03 -0.84 -2.72 117.51 125.22 1nen h ILE 36 Ca 0.11 -0.60 -0.05 0.00 -0.12 0.00 0.00 64.86 64.20 1nen h ILE 36 Cb 0.25 1.10 -0.01 0.00 -3.03 0.00 0.00 36.82 35.14 1nen h ILE 36 CO 0.00 0.20 -0.24 0.74 -0.68 0.00 0.00 178.15 178.17 1nen h THR 37 N 0.26 0.99 0.11 -0.27 2.02 -0.40 0.59 112.91 116.21 1nen h THR 37 Ca 0.08 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1nen h THR 37 Cb 0.22 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1nen h THR 37 CO -0.00 0.24 -0.05 0.15 0.37 0.00 0.00 175.52 176.22 1nen h PHE 38 N 0.00 -0.14 -0.29 3.16 3.57 -0.67 -2.20 116.94 120.37 1nen h PHE 38 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1nen h PHE 38 Cb 0.48 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1nen h PHE 38 CO 0.00 -0.06 0.07 0.28 -2.23 0.00 0.00 178.31 176.37 1nen h VAL 39 N -0.18 1.21 -0.87 1.41 2.07 -1.32 -3.17 116.25 115.40 1nen h VAL 39 Ca -0.02 -0.71 0.23 0.00 0.82 0.00 0.00 66.70 67.02 1nen h VAL 39 Cb 0.14 1.12 -0.15 0.00 -1.52 0.00 0.00 31.29 30.89 1nen h VAL 39 CO 0.03 0.23 0.13 0.00 0.02 0.00 0.00 177.57 177.98 1nen h ALA 40 N 0.90 1.13 -0.73 1.67 0.00 -0.63 -0.86 119.26 120.74 1nen h ALA 40 Ca 0.09 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1nen h ALA 40 Cb 0.28 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1nen h ALA 40 CO 0.00 -0.48 0.37 0.28 0.00 0.00 0.00 179.25 179.41 1nen h VAL 41 N 0.13 0.83 0.07 0.00 2.07 -1.37 -0.23 116.25 117.75 1nen h VAL 41 Ca 0.53 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1nen h VAL 41 Cb 1.05 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1nen h VAL 41 CO -0.72 0.11 -0.17 1.23 0.02 0.00 0.00 177.57 178.05 1nen h GLY 42 N 0.61 -0.28 0.34 2.17 0.00 -1.29 0.38 103.07 105.00 1nen h GLY 42 Ca 0.37 0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.95 1nen h GLY 42 CO -0.28 -0.16 -0.12 -2.22 0.00 0.00 0.00 176.54 173.76 1nen h ILE 43 N -0.31 0.61 -0.82 2.60 2.04 -1.31 0.93 117.51 121.25 1nen h ILE 43 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1nen h ILE 43 Cb 0.34 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1nen h ILE 43 CO -0.11 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.34 1nen h LEU 44 N -0.08 1.09 -0.65 1.44 3.38 -0.68 -1.90 115.31 117.90 1nen h LEU 44 Ca 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nen h LEU 44 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1nen h LEU 44 CO -0.32 0.93 0.40 -0.07 0.09 0.00 0.00 178.44 179.47 1nen h LEU 45 N 1.17 0.77 -0.34 1.67 3.38 0.84 0.95 115.31 123.75 1nen h LEU 45 Ca 0.28 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1nen h LEU 45 Cb 0.15 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1nen h LEU 45 CO -0.03 0.59 0.05 -0.25 0.09 0.00 0.00 178.44 178.89 1nen h TRP 46 N 0.88 0.08 -0.00 1.13 7.01 -0.16 0.43 115.95 125.31 1nen h TRP 46 Ca 0.23 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 1nen h TRP 46 Cb -0.04 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1nen h TRP 46 CO -0.02 -0.00 0.00 -0.07 -2.79 0.00 0.00 178.44 175.56 1nen h LEU 47 N 0.16 0.01 -1.24 0.65 3.38 -0.97 -0.87 115.31 116.42 1nen h LEU 47 Ca 0.16 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1nen h LEU 47 Cb 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1nen h LEU 47 CO -0.23 0.06 0.56 0.25 0.09 0.00 0.00 178.44 179.18 1nen h LEU 48 N -0.05 0.76 0.48 1.67 5.85 -0.17 0.29 115.31 124.13 1nen h LEU 48 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1nen h LEU 48 Cb 0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1nen h LEU 48 CO -0.00 0.45 -0.29 1.23 -0.34 0.00 0.00 178.44 179.48 1nen h GLY 49 N 0.84 -0.78 0.64 3.75 0.00 0.90 -2.48 103.07 105.95 1nen h GLY 49 Ca 0.40 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 1nen h GLY 49 CO -0.17 -0.29 -0.35 -0.84 0.00 0.00 0.00 176.54 174.90 1nen h THR 50 N -0.74 0.28 -0.90 4.70 2.02 -0.35 -2.37 112.91 115.56 1nen h THR 50 Ca -0.05 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.48 1nen h THR 50 Cb 0.60 0.28 -0.16 0.00 -1.74 0.00 0.00 68.15 67.13 1nen h THR 50 CO 0.05 0.00 0.39 -1.20 0.37 0.00 0.00 175.52 175.13 1nen n SER 51 N -5.46 0.22 -0.01 4.18 7.64 0.95 -1.45 113.62 119.70 1nen n SER 51 Ca -0.10 1.51 0.10 0.00 1.01 0.00 0.00 58.87 61.39 1nen n SER 51 Cb 0.36 -0.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 1nen n SER 51 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nen n LEU 52 N -5.10 0.42 -0.27 -3.43 4.77 -0.95 -3.70 117.00 108.74 1nen n LEU 52 Ca 0.31 -0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1nen n LEU 52 Cb 1.06 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 42.37 1nen n LEU 52 CO -0.01 0.10 0.98 0.77 -1.33 0.00 0.00 177.39 177.91 1nen h SER 53 N 0.00 0.17 -5.91 -1.43 4.64 -0.70 -3.47 113.55 106.86 1nen h SER 53 Ca 0.00 0.14 0.38 0.00 -0.47 0.00 0.00 61.79 61.83 1nen h SER 53 Cb 0.74 0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.89 1nen h SER 53 CO 0.00 0.01 0.95 -0.94 -0.87 0.00 0.00 176.83 175.98 1nen s SER 54 N -5.25 -0.00 0.13 4.97 1.04 -1.26 -4.97 113.70 108.36 1nen s SER 54 Ca -0.12 -0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 1nen s SER 54 Cb 0.22 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1nen s SER 54 CO 0.76 -0.16 1.77 -0.65 0.98 0.00 0.00 173.24 175.95 1nen h PRO 55 N 2.00 0.26 -0.03 4.02 0.11 -1.91 0.23 132.00 136.69 1nen h PRO 55 Ca -0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1nen h PRO 55 Cb 1.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nen h PRO 55 CO 0.30 0.17 -0.00 0.93 -0.21 0.00 0.00 178.00 179.19 1nen h GLU 56 N 0.27 0.04 0.04 1.05 3.07 -1.96 0.16 114.58 117.24 1nen h GLU 56 Ca 0.10 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1nen h GLU 56 Cb 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1nen h GLU 56 CO -0.06 0.04 -0.02 0.78 -1.40 0.00 0.00 179.01 178.35 1nen h GLY 57 N 0.09 -0.05 1.03 -3.84 0.00 -1.43 -1.24 103.07 97.62 1nen h GLY 57 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.47 1nen h GLY 57 CO 0.00 -0.02 0.39 -2.75 0.00 0.00 0.00 176.54 174.16 1nen h PHE 58 N -0.66 0.33 0.12 5.60 3.57 -0.01 -0.35 116.94 125.54 1nen h PHE 58 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nen h PHE 58 Cb 0.59 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1nen h PHE 58 CO 0.13 0.15 -0.06 0.93 -2.23 0.00 0.00 178.31 177.23 1nen h GLU 59 N 0.31 -0.16 -0.24 1.11 5.08 -0.87 -1.64 114.58 118.17 1nen h GLU 59 Ca 0.27 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 1nen h GLU 59 Cb 0.64 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1nen h GLU 59 CO -0.06 0.20 0.18 0.37 -1.00 0.00 0.00 179.01 178.69 1nen h GLN 60 N -0.53 0.00 0.16 2.33 4.15 0.09 -1.31 115.11 120.00 1nen h GLN 60 Ca -0.02 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 1nen h GLN 60 Cb 0.42 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.14 1nen h GLN 60 CO 0.03 0.00 -1.07 0.00 -1.93 0.00 0.00 178.83 175.86 1nen h ALA 61 N 1.87 -0.06 -0.72 3.38 0.00 -1.10 -2.62 119.26 120.01 1nen h ALA 61 Ca 0.11 -0.80 0.11 0.00 0.00 0.00 0.00 54.91 54.33 1nen h ALA 61 Cb 0.47 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1nen h ALA 61 CO -0.00 0.53 0.48 0.77 0.00 0.00 0.00 179.25 181.02 1nen h SER 62 N -0.24 0.52 0.58 0.00 0.02 -0.54 -1.49 113.55 112.40 1nen h SER 62 Ca -0.20 0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.49 1nen h SER 62 Cb 1.79 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 1nen h SER 62 CO 0.17 0.30 -1.34 0.00 -1.14 0.00 0.00 176.83 174.82 1nen h ALA 63 N 1.64 0.17 -0.56 3.77 0.00 -1.35 -3.07 119.26 119.85 1nen h ALA 63 Ca 0.34 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1nen h ALA 63 Cb 0.55 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1nen h ALA 63 CO -0.12 1.04 0.33 0.82 0.00 0.00 0.00 179.25 181.32 1nen h ILE 64 N 0.07 1.17 0.00 0.00 2.04 -0.93 0.27 117.51 120.14 1nen h ILE 64 Ca -0.17 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1nen h ILE 64 Cb 1.98 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1nen h ILE 64 CO 0.19 0.18 0.00 0.80 0.00 0.00 0.00 178.15 179.32 1nen n MET 65 N -4.64 0.07 0.03 2.37 1.56 -0.65 -1.65 117.12 114.22 1nen n MET 65 Ca 0.03 0.45 -0.14 0.00 -0.27 0.00 0.00 57.70 57.78 1nen n MET 65 Cb 0.06 -1.67 -0.03 0.00 2.15 0.00 0.00 33.22 33.73 1nen n MET 65 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1nen h GLY 66 N 1.05 0.61 -4.67 -5.12 0.00 -0.35 -3.41 103.07 91.18 1nen h GLY 66 Ca 0.00 -0.92 -0.61 0.00 0.00 0.00 0.00 47.33 45.80 1nen h GLY 66 CO 0.00 0.82 0.31 -1.26 0.00 0.00 0.00 176.54 176.41 1nen n SER 67 N -3.84 1.74 0.20 0.19 2.88 -0.66 -4.83 113.62 109.30 1nen n SER 67 Ca -0.06 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1nen n SER 67 Cb 0.77 -1.31 0.18 0.00 -0.75 0.00 0.00 64.21 63.09 1nen n SER 67 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1nen h PHE 68 N 2.94 0.00 -0.16 0.66 -1.00 -1.89 -1.56 116.94 115.93 1nen h PHE 68 Ca -0.42 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.28 1nen h PHE 68 Cb 1.32 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 1nen h PHE 68 CO 0.52 0.00 -0.20 0.35 -1.61 0.00 0.00 178.31 177.36 1nen h PHE 69 N 0.00 0.52 -0.74 -0.55 3.57 -1.95 -2.24 116.94 115.55 1nen h PHE 69 Ca 0.00 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.29 1nen h PHE 69 Cb 0.98 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1nen h PHE 69 CO 0.00 0.83 0.27 0.28 -2.23 0.00 0.00 178.31 177.46 1nen h VAL 70 N 0.06 1.26 -0.73 1.41 2.07 -1.83 -2.12 116.25 116.36 1nen h VAL 70 Ca 0.02 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.78 1nen h VAL 70 Cb 0.76 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1nen h VAL 70 CO 0.05 0.34 0.48 0.11 0.02 0.00 0.00 177.57 178.57 1nen h LYS 71 N 1.08 0.70 -0.14 1.57 1.57 -1.15 0.27 116.57 120.47 1nen h LYS 71 Ca 0.24 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1nen h LYS 71 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1nen h LYS 71 CO -0.02 0.46 0.03 0.35 -0.57 0.00 0.00 179.45 179.71 1nen h PHE 72 N 0.72 0.24 -0.27 -1.35 3.57 -0.77 -1.56 116.94 117.52 1nen h PHE 72 Ca 0.32 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1nen h PHE 72 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1nen h PHE 72 CO -0.00 0.38 0.01 0.82 -2.23 0.00 0.00 178.31 177.29 1nen h ILE 73 N 0.03 1.25 -0.08 1.41 2.04 -1.04 -0.93 117.51 120.19 1nen h ILE 73 Ca 0.04 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1nen h ILE 73 Cb 0.26 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1nen h ILE 73 CO 0.00 0.28 0.09 -0.03 0.00 0.00 0.00 178.15 178.50 1nen h MET 74 N 0.27 0.00 -0.12 2.37 4.05 -0.51 -2.02 114.93 118.97 1nen h MET 74 Ca 0.08 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.29 1nen h MET 74 Cb 0.40 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1nen h MET 74 CO 0.01 0.00 -0.75 2.35 0.23 0.00 0.00 176.91 178.75 1nen h TRP 75 N 0.00 0.98 -0.29 1.39 7.01 -0.13 -3.12 115.95 121.79 1nen h TRP 75 Ca 0.04 -0.45 -0.18 0.00 2.11 0.00 0.00 58.89 60.40 1nen h TRP 75 Cb 0.22 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1nen h TRP 75 CO 0.00 1.27 -0.54 0.78 -2.79 0.00 0.00 178.44 177.16 1nen h GLY 76 N 0.41 0.96 0.18 2.65 0.00 -0.66 -2.31 103.07 104.30 1nen h GLY 76 Ca -0.06 -1.11 0.05 0.00 0.00 0.00 0.00 47.33 46.20 1nen h GLY 76 CO 0.15 1.00 -0.31 -2.22 0.00 0.00 0.00 176.54 175.16 1nen h ILE 77 N 0.67 0.30 -0.25 2.60 2.04 -1.47 0.73 117.51 122.14 1nen h ILE 77 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1nen h ILE 77 Cb 1.15 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1nen h ILE 77 CO 0.12 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 178.23 1nen h LEU 78 N -0.39 0.32 -0.11 1.44 3.38 -1.57 0.46 115.31 118.84 1nen h LEU 78 Ca 0.09 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1nen h LEU 78 Cb 0.54 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nen h LEU 78 CO -0.34 0.36 -0.44 0.74 0.09 0.00 0.00 178.44 178.85 1nen h THR 79 N 0.35 1.37 0.12 0.22 2.02 -0.65 0.26 112.91 116.59 1nen h THR 79 Ca 0.08 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1nen h THR 79 Cb 0.20 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1nen h THR 79 CO 0.00 0.53 -0.06 0.00 0.37 0.00 0.00 175.52 176.36 1nen h ALA 80 N 0.49 -0.16 -0.56 6.16 0.00 0.78 0.31 119.26 126.29 1nen h ALA 80 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1nen h ALA 80 Cb 1.07 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1nen h ALA 80 CO 0.09 -0.54 0.24 1.25 0.00 0.00 0.00 179.25 180.29 1nen h LEU 81 N -0.25 0.29 -0.55 0.00 5.85 -0.08 -1.13 115.31 119.44 1nen h LEU 81 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1nen h LEU 81 Cb 0.20 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1nen h LEU 81 CO 0.03 0.19 0.26 0.00 -0.34 0.00 0.00 178.44 178.57 1nen h ALA 82 N 1.35 0.71 0.20 1.25 0.00 -0.03 -1.70 119.26 121.05 1nen h ALA 82 Ca 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nen h ALA 82 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1nen h ALA 82 CO -0.24 0.29 -0.27 -0.92 0.00 0.00 0.00 179.25 178.11 1nen h TYR 83 N 0.75 -0.72 -0.94 0.00 3.20 0.17 -2.22 116.97 117.21 1nen h TYR 83 Ca 0.19 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.21 1nen h TYR 83 Cb 0.13 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 38.60 1nen h TYR 83 CO -0.00 -0.38 0.55 1.25 -1.64 0.00 0.00 178.16 177.94 1nen h HIS 84 N -0.53 0.99 0.13 -3.82 2.76 -1.02 -0.91 115.15 112.75 1nen h HIS 84 Ca 0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1nen h HIS 84 Cb 0.52 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1nen h HIS 84 CO -0.20 0.31 -0.06 0.28 -1.30 0.00 0.00 177.93 176.95 1nen h VAL 85 N 0.81 1.04 0.47 5.26 2.07 -1.09 -0.32 116.25 124.48 1nen h VAL 85 Ca 0.50 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1nen h VAL 85 Cb 0.62 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1nen h VAL 85 CO -0.32 0.18 -0.51 0.58 0.02 0.00 0.00 177.57 177.53 1nen h VAL 86 N -0.55 0.00 -0.17 2.57 2.07 -1.02 0.18 116.25 119.34 1nen h VAL 86 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1nen h VAL 86 Cb 0.43 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1nen h VAL 86 CO 0.03 0.00 0.11 0.58 0.02 0.00 0.00 177.57 178.31 1nen h VAL 87 N -0.98 0.99 -0.19 2.57 2.07 -1.27 0.19 116.25 119.63 1nen h VAL 87 Ca -0.06 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1nen h VAL 87 Cb 0.86 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1nen h VAL 87 CO -0.08 0.02 0.02 1.23 0.02 0.00 0.00 177.57 178.78 1nen h GLY 88 N 0.13 0.35 0.99 2.17 0.00 -0.26 0.08 103.07 106.53 1nen h GLY 88 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1nen h GLY 88 CO -0.01 0.22 0.26 -2.22 0.00 0.00 0.00 176.54 174.79 1nen h ILE 89 N 0.10 1.21 -0.64 2.60 2.04 0.27 -0.22 117.51 122.87 1nen h ILE 89 Ca 0.06 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.41 1nen h ILE 89 Cb 0.34 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1nen h ILE 89 CO 0.01 0.24 0.22 -0.09 0.00 0.00 0.00 178.15 178.53 1nen h ARG 90 N 0.77 0.37 0.53 2.37 2.43 -0.78 -0.80 114.38 119.26 1nen h ARG 90 Ca 0.19 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1nen h ARG 90 Cb 0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1nen h ARG 90 CO -0.02 0.25 -0.50 1.25 -1.51 0.00 0.00 179.97 179.43 1nen h HIS 91 N 0.39 -1.39 -0.30 2.20 2.76 -0.07 -2.70 115.15 116.03 1nen h HIS 91 Ca 0.33 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.59 1nen h HIS 91 Cb 0.45 0.54 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1nen h HIS 91 CO -0.18 -0.68 0.21 0.52 -1.30 0.00 0.00 177.93 176.50 1nen h MET 92 N -1.03 0.02 -0.33 5.26 2.86 -0.60 -2.22 114.93 118.89 1nen h MET 92 Ca -0.07 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1nen h MET 92 Cb 0.89 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1nen h MET 92 CO -0.05 0.01 -0.24 0.52 1.06 0.00 0.00 176.91 178.21 1nen h MET 93 N 0.02 0.74 -0.40 1.72 2.07 -0.85 -2.21 114.93 116.02 1nen h MET 93 Ca 0.14 -0.36 -0.12 0.00 -2.07 0.00 0.00 59.70 57.29 1nen h MET 93 Cb 0.55 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 1nen h MET 93 CO -0.00 0.98 -0.24 0.52 1.07 0.00 0.00 176.91 179.23 1nen h MET 94 N 0.51 0.82 0.11 1.72 2.86 -1.19 0.16 114.93 119.92 1nen h MET 94 Ca 0.06 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1nen h MET 94 Cb 0.81 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1nen h MET 94 CO 0.06 0.98 -0.40 -0.44 1.06 0.00 0.00 176.91 178.17 1nen h ASP 95 N 0.71 -1.20 0.00 1.22 3.32 -1.26 -3.28 116.42 115.92 1nen h ASP 95 Ca 0.09 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1nen h ASP 95 Cb 0.77 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nen h ASP 95 CO 0.06 -0.43 0.00 0.49 -1.72 0.00 0.00 179.24 177.64 1nen n PHE 96 N -4.74 0.00 0.00 4.55 3.72 -0.84 -4.97 117.46 115.18 1nen n PHE 96 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1nen n PHE 96 Cb 0.32 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1nen n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nen n GLY 97 N -0.09 0.00 1.24 1.37 0.00 0.35 -4.99 105.19 103.07 1nen n GLY 97 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1nen n GLY 97 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nen n TYR 98 N 0.00 1.13 -3.64 1.61 4.01 0.08 -4.81 117.16 115.53 1nen n TYR 98 Ca 0.00 -0.41 -0.13 0.00 -0.16 0.00 0.00 57.90 57.21 1nen n TYR 98 Cb 0.00 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.67 1nen n TYR 98 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nen s LEU 99 N -1.53 -0.64 0.55 7.72 1.43 -1.23 -4.85 118.68 120.14 1nen s LEU 99 Ca 0.32 1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 54.62 1nen s LEU 99 Cb 0.23 2.32 -0.05 0.00 0.03 0.00 0.00 46.19 48.72 1nen s LEU 99 CO 0.11 -0.24 1.10 -1.61 0.23 0.00 0.00 176.35 175.95 1nen s GLU 100 N 0.59 3.35 -0.01 1.70 2.02 -1.26 -4.57 118.70 120.52 1nen s GLU 100 Ca -0.02 1.49 0.18 0.00 0.02 0.00 0.00 54.97 56.64 1nen s GLU 100 Cb -0.05 -2.02 0.52 0.00 0.10 0.00 0.00 34.13 32.69 1nen s GLU 100 CO -0.03 -0.82 1.43 0.39 0.02 0.00 0.00 175.26 176.25 1nen n GLU 101 N -1.48 2.42 -1.43 1.61 1.02 -1.26 -4.44 120.64 117.08 1nen n GLU 101 Ca 0.11 -2.13 -0.30 0.00 -0.02 0.00 0.00 57.16 54.82 1nen n GLU 101 Cb 0.52 -1.48 0.10 0.00 -0.02 0.00 0.00 31.44 30.56 1nen n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1nen s THR 102 N -1.26 2.99 0.07 2.62 -4.23 -1.26 -4.90 115.64 109.67 1nen s THR 102 Ca 0.39 0.32 -0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1nen s THR 102 Cb 0.21 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.97 1nen s THR 102 CO 0.26 -0.42 1.45 0.15 -0.54 0.00 0.00 174.62 175.52 1nen h PHE 103 N -1.22 0.45 0.29 3.99 3.57 -1.99 -1.89 116.94 120.15 1nen h PHE 103 Ca -0.47 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 60.91 1nen h PHE 103 Cb 1.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1nen h PHE 103 CO 0.46 0.65 -0.14 0.93 -2.23 0.00 0.00 178.31 177.99 1nen h GLU 104 N 0.12 -0.37 -0.91 1.11 3.07 -1.97 -0.94 114.58 114.68 1nen h GLU 104 Ca 0.05 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.13 1nen h GLU 104 Cb 0.51 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 1nen h GLU 104 CO 0.02 -0.23 0.59 0.00 -1.40 0.00 0.00 179.01 178.00 1nen h ALA 105 N 0.30 2.08 -0.44 3.43 0.00 -1.88 -0.65 119.26 122.10 1nen h ALA 105 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1nen h ALA 105 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nen h ALA 105 CO 0.06 -0.37 0.07 0.78 0.00 0.00 0.00 179.25 179.79 1nen h GLY 106 N 0.49 0.79 1.81 0.00 0.00 -0.38 -1.64 103.07 104.14 1nen h GLY 106 Ca 0.48 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1nen h GLY 106 CO -0.21 0.49 -0.48 0.50 0.00 0.00 0.00 176.54 176.84 1nen h LYS 107 N 0.59 0.21 -0.43 4.80 1.57 0.09 -2.05 116.57 121.35 1nen h LYS 107 Ca 0.13 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1nen h LYS 107 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1nen h LYS 107 CO 0.01 0.65 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.31 1nen h ARG 108 N 0.17 0.85 0.15 3.15 2.43 -1.05 -0.81 114.38 119.27 1nen h ARG 108 Ca 0.01 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1nen h ARG 108 Cb 0.92 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1nen h ARG 108 CO 0.07 0.98 -0.07 0.77 -1.51 0.00 0.00 179.97 180.21 1nen h SER 109 N 0.68 -0.17 -0.31 -3.80 0.02 -1.17 -1.35 113.55 107.44 1nen h SER 109 Ca 0.10 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1nen h SER 109 Cb 0.69 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1nen h SER 109 CO 0.05 -0.11 -0.12 0.00 -1.14 0.00 0.00 176.83 175.51 1nen h ALA 110 N 0.65 0.14 0.18 3.77 0.00 -1.27 -1.08 119.26 121.65 1nen h ALA 110 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nen h ALA 110 Cb 0.16 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nen h ALA 110 CO 0.03 -0.51 -0.09 0.87 0.00 0.00 0.00 179.25 179.56 1nen h LYS 111 N -0.06 -0.24 -0.66 0.00 1.57 -0.95 -2.43 116.57 113.81 1nen h LYS 111 Ca 0.16 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1nen h LYS 111 Cb 0.30 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1nen h LYS 111 CO -0.35 -0.11 0.44 0.82 -0.57 0.00 0.00 179.45 179.69 1nen h ILE 112 N -0.30 0.82 0.66 1.86 2.04 -0.97 -2.35 117.51 119.26 1nen h ILE 112 Ca -0.02 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1nen h ILE 112 Cb 0.24 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1nen h ILE 112 CO 0.04 0.06 -0.32 0.28 0.00 0.00 0.00 178.15 178.21 1nen h SER 113 N 0.33 -0.75 -1.01 1.72 0.02 -0.74 -1.75 113.55 111.37 1nen h SER 113 Ca 0.31 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.43 1nen h SER 113 Cb 0.77 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.41 1nen h SER 113 CO -0.08 -0.48 0.62 -0.26 -1.14 0.00 0.00 176.83 175.49 1nen h PHE 114 N -0.98 1.11 0.18 3.45 0.04 -1.02 0.22 116.94 119.94 1nen h PHE 114 Ca -0.09 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1nen h PHE 114 Cb 0.71 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1nen h PHE 114 CO -0.01 0.33 -0.09 0.28 -0.60 0.00 0.00 178.31 178.22 1nen h VAL 115 N 0.86 0.84 -0.41 -0.55 2.07 -1.29 0.32 116.25 118.09 1nen h VAL 115 Ca 0.55 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.96 1nen h VAL 115 Cb 0.73 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1nen h VAL 115 CO -0.33 0.01 0.05 0.40 0.02 0.00 0.00 177.57 177.72 1nen h ILE 116 N -0.27 1.20 0.26 4.57 2.04 -0.38 -1.29 117.51 123.64 1nen h ILE 116 Ca -0.02 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1nen h ILE 116 Cb 0.21 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1nen h ILE 116 CO 0.04 0.28 -0.12 0.74 0.00 0.00 0.00 178.15 179.08 1nen h THR 117 N 0.61 0.78 -0.72 -0.27 2.02 -0.07 -0.83 112.91 114.43 1nen h THR 117 Ca 0.13 -0.23 0.12 0.00 0.77 0.00 0.00 66.41 67.19 1nen h THR 117 Cb 0.31 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 1nen h THR 117 CO 0.01 0.05 0.32 0.58 0.37 0.00 0.00 175.52 176.85 1nen h VAL 118 N -0.46 0.76 0.09 3.16 2.07 0.03 0.41 116.25 122.30 1nen h VAL 118 Ca -0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nen h VAL 118 Cb 0.35 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1nen h VAL 118 CO 0.06 0.09 -0.05 0.58 0.02 0.00 0.00 177.57 178.27 1nen h VAL 119 N 0.52 0.89 -0.83 2.57 2.07 -1.04 -0.84 116.25 119.59 1nen h VAL 119 Ca 0.38 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 1nen h VAL 119 Cb 0.49 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1nen h VAL 119 CO -0.33 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.62 1nen h LEU 120 N -0.13 1.06 -0.99 2.57 3.38 -0.24 -1.38 115.31 119.57 1nen h LEU 120 Ca -0.01 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1nen h LEU 120 Cb 0.11 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1nen h LEU 120 CO 0.01 0.87 0.63 -1.28 0.09 0.00 0.00 178.44 178.77 1nen h SER 121 N 1.16 0.98 -0.11 -0.43 0.87 0.12 0.33 113.55 116.49 1nen h SER 121 Ca 0.29 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1nen h SER 121 Cb 0.07 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1nen h SER 121 CO -0.04 0.59 0.04 0.25 -0.53 0.00 0.00 176.83 177.13 1nen h LEU 122 N 1.09 0.15 -0.56 2.23 5.85 -0.27 -1.64 115.31 122.16 1nen h LEU 122 Ca 0.45 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1nen h LEU 122 Cb 0.29 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1nen h LEU 122 CO -0.21 0.31 0.29 -0.07 -0.34 0.00 0.00 178.44 178.42 1nen h LEU 123 N -0.01 0.41 -0.70 2.25 3.38 -0.14 -1.45 115.31 119.07 1nen h LEU 123 Ca 0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1nen h LEU 123 Cb 0.21 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1nen h LEU 123 CO -0.00 0.28 0.32 0.00 0.09 0.00 0.00 178.44 179.13 1nen h ALA 124 N 1.31 0.95 -0.94 1.53 0.00 -0.16 -0.85 119.26 121.10 1nen h ALA 124 Ca 0.25 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nen h ALA 124 Cb 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1nen h ALA 124 CO -0.17 -0.10 0.59 0.78 0.00 0.00 0.00 179.25 180.35 1nen h GLY 125 N 0.55 1.35 1.58 0.00 0.00 -0.31 -0.42 103.07 105.81 1nen h GLY 125 Ca 0.35 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1nen h GLY 125 CO -0.29 0.53 0.03 -2.08 0.00 0.00 0.00 176.54 174.73 1nen h VAL 126 N 1.29 1.19 -0.02 4.60 2.07 -0.30 -2.75 116.25 122.33 1nen h VAL 126 Ca 0.34 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1nen h VAL 126 Cb -0.09 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1nen h VAL 126 CO -0.07 0.25 -0.06 0.25 0.02 0.00 0.00 177.57 177.96 1nen h LEU 127 N 0.51 0.09 -1.95 2.57 5.85 -0.62 -2.98 115.31 118.78 1nen h LEU 127 Ca 0.11 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1nen h LEU 127 Cb 0.29 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1nen h LEU 127 CO 0.01 0.70 0.34 0.58 -0.34 0.00 0.00 178.44 179.73 1nen h VAL 128 N -0.52 0.00 -0.02 1.05 2.07 -0.97 -3.52 116.25 114.34 1nen h VAL 128 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1nen h VAL 128 Cb 0.69 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1nen h VAL 128 CO 0.01 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.39