#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2egr s PHE 3 N 0.00 3.77 -0.14 0.58 5.36 -0.81 -4.90 117.98 121.84 2egr s PHE 3 Ca 0.00 1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.68 2egr s PHE 3 Cb 0.00 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.63 2egr s PHE 3 CO 0.00 0.17 -0.09 0.42 -1.46 0.00 0.00 175.22 174.26 2egr s ILE 4 N 0.20 3.39 -0.19 3.12 1.01 -1.26 -0.35 121.20 127.12 2egr s ILE 4 Ca 0.47 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2egr s ILE 4 Cb -0.22 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.80 2egr s ILE 4 CO 0.28 0.51 -0.15 -0.47 0.00 0.00 0.00 174.94 175.12 2egr s TYR 5 N 0.38 2.83 -0.09 3.97 5.04 0.25 -4.99 117.35 124.74 2egr s TYR 5 Ca -0.08 -1.31 0.01 0.00 -2.44 0.00 0.00 57.07 53.25 2egr s TYR 5 Cb -0.15 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 2egr s TYR 5 CO 0.04 -0.66 -0.11 0.50 -1.34 0.00 0.00 175.55 173.99 2egr s ARG 6 N 1.23 3.01 -0.07 4.97 3.52 -1.26 -0.79 118.95 129.56 2egr s ARG 6 Ca 0.03 -0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 54.86 2egr s ARG 6 Cb -0.14 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.70 2egr s ARG 6 CO -0.07 0.45 0.33 0.50 -0.81 0.00 0.00 175.30 175.70 2egr s ARG 7 N -0.25 0.54 -0.07 5.12 6.06 -0.44 -5.01 118.95 124.90 2egr s ARG 7 Ca 0.02 0.14 -0.01 0.00 -2.50 0.00 0.00 55.73 53.39 2egr s ARG 7 Cb -0.13 0.25 -0.03 0.00 0.06 0.00 0.00 34.95 35.10 2egr s ARG 7 CO 0.03 -0.12 -0.03 0.50 -2.50 0.00 0.00 175.30 173.18 2egr s ARG 8 N -0.58 2.88 0.07 5.12 3.52 -1.26 -0.75 118.95 127.94 2egr s ARG 8 Ca -0.07 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 2egr s ARG 8 Cb -0.04 -2.71 -0.07 0.00 -1.56 0.00 0.00 34.95 30.57 2egr s ARG 8 CO 0.02 0.68 1.46 0.08 -0.81 0.00 0.00 175.30 176.74 2egr s VAL 9 N -0.87 3.35 0.25 7.11 1.01 -0.17 -4.93 120.40 126.15 2egr s VAL 9 Ca 0.13 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 2egr s VAL 9 Cb -0.11 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2egr s VAL 9 CO 0.02 0.03 0.48 -1.10 0.00 0.00 0.00 175.10 174.53 2egr s GLN 10 N 1.87 3.58 0.19 2.72 -1.52 -1.26 -1.53 119.66 123.71 2egr s GLN 10 Ca 0.67 -0.17 -0.12 0.00 -1.95 0.00 0.00 55.36 53.79 2egr s GLN 10 Cb -0.36 -2.73 0.11 0.00 -0.22 0.00 0.00 33.01 29.81 2egr s GLN 10 CO 0.29 0.29 1.83 0.35 -0.25 0.00 0.00 175.29 177.80 2egr h PHE 11 N 1.78 0.88 0.00 0.91 3.57 -1.98 -0.83 116.94 121.27 2egr h PHE 11 Ca -0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2egr h PHE 11 Cb 1.19 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2egr h PHE 11 CO 0.56 0.60 0.00 2.48 -2.23 0.00 0.00 178.31 179.72 2egr n TYR 12 N -4.56 0.48 0.83 0.41 0.18 -1.26 -1.91 117.16 111.33 2egr n TYR 12 Ca 0.05 0.22 0.14 0.00 1.88 0.00 0.00 57.90 60.18 2egr n TYR 12 Cb 0.06 -0.85 0.52 0.00 -0.38 0.00 0.00 39.34 38.69 2egr n TYR 12 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2egr n GLU 13 N -1.96 0.12 -2.23 -3.48 1.02 -0.32 -4.86 120.64 108.94 2egr n GLU 13 Ca 0.01 0.10 -0.28 0.00 -0.02 0.00 0.00 57.16 56.97 2egr n GLU 13 Cb 0.11 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2egr n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2egr s THR 14 N -3.05 3.66 0.30 2.62 -4.23 -0.80 -1.65 115.64 112.49 2egr s THR 14 Ca 0.12 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 2egr s THR 14 Cb 0.16 -3.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 2egr s THR 14 CO 0.56 -0.54 0.04 -0.90 -0.54 0.00 0.00 174.62 173.24 2egr n ASP 15 N -2.71 2.13 0.22 3.99 5.68 -0.51 -4.69 116.55 120.67 2egr n ASP 15 Ca 0.05 -2.41 0.15 0.00 -0.50 0.00 0.00 54.79 52.09 2egr n ASP 15 Cb 0.57 0.41 0.77 0.00 -1.14 0.00 0.00 41.12 41.73 2egr n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2egr h ALA 16 N 1.28 1.00 0.00 2.12 0.00 -2.00 0.11 119.26 121.77 2egr h ALA 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2egr h ALA 16 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2egr h ALA 16 CO 0.39 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.68 2egr n GLN 17 N -2.60 0.03 -0.82 0.00 1.13 -1.26 -4.89 117.38 108.97 2egr n GLN 17 Ca -0.01 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2egr n GLN 17 Cb 0.12 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2egr n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2egr n GLY 18 N 0.29 0.53 3.50 1.08 0.00 0.39 -5.05 105.19 105.93 2egr n GLY 18 Ca 0.04 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2egr n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2egr s ILE 19 N -2.00 1.83 0.08 -0.61 -4.36 -1.25 -4.52 121.20 110.37 2egr s ILE 19 Ca 0.00 -2.12 -0.31 0.00 -0.26 0.00 0.00 60.65 57.97 2egr s ILE 19 Cb 0.00 -2.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.99 2egr s ILE 19 CO 0.00 -0.18 1.59 -0.69 0.24 0.00 0.00 174.94 175.89 2egr s VAL 20 N -2.87 3.06 0.36 8.37 1.01 0.37 -1.42 120.40 129.27 2egr s VAL 20 Ca 0.32 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 2egr s VAL 20 Cb 0.05 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 2egr s VAL 20 CO 0.15 0.01 1.50 -2.28 0.00 0.00 0.00 175.10 174.48 2egr s HIS 21 N 2.23 2.63 0.49 5.22 2.46 -0.66 -4.84 115.29 122.83 2egr s HIS 21 Ca 0.71 1.10 0.21 0.00 0.47 0.00 0.00 55.06 57.55 2egr s HIS 21 Cb -0.39 -4.02 1.27 0.00 -0.13 0.00 0.00 32.58 29.30 2egr s HIS 21 CO 0.31 -3.08 1.98 1.12 -2.47 0.00 0.00 174.74 172.61 2egr h HIS 22 N 3.39 0.16 0.00 3.88 2.07 -1.92 -0.65 115.15 122.07 2egr h HIS 22 Ca -0.50 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.99 2egr h HIS 22 Cb 1.23 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2egr h HIS 22 CO 0.54 0.07 -0.17 0.66 -3.07 0.00 0.00 177.93 175.96 2egr h SER 23 N 0.15 0.00 1.37 3.10 4.64 -1.98 -2.89 113.55 117.94 2egr h SER 23 Ca 0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2egr h SER 23 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2egr h SER 23 CO -0.04 0.17 -0.14 0.78 -0.87 0.00 0.00 176.83 176.73 2egr h ASN 24 N 0.00 0.00 -0.87 4.97 -0.26 -1.47 -3.04 115.58 114.91 2egr h ASN 24 Ca -0.00 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 2egr h ASN 24 Cb 0.62 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.82 2egr h ASN 24 CO 0.02 0.14 0.57 1.88 -1.06 0.00 0.00 177.43 178.98 2egr h TYR 25 N 0.00 1.01 -0.30 1.19 0.05 -1.61 -0.83 116.97 116.48 2egr h TYR 25 Ca -0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2egr h TYR 25 Cb 0.86 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2egr h TYR 25 CO 0.00 0.55 0.02 0.74 -1.05 0.00 0.00 178.16 178.42 2egr h PHE 26 N 1.01 0.45 -0.38 4.88 0.04 -1.71 -0.35 116.94 120.88 2egr h PHE 26 Ca 0.36 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.01 2egr h PHE 26 Cb 0.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2egr h PHE 26 CO -0.00 0.44 -0.12 0.00 -0.60 0.00 0.00 178.31 178.03 2egr h ARG 27 N 0.43 0.76 -0.62 1.51 3.08 -1.31 -1.86 114.38 116.36 2egr h ARG 27 Ca 0.10 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.87 2egr h ARG 27 Cb 0.26 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2egr h ARG 27 CO 0.00 0.91 0.38 1.88 -1.07 0.00 0.00 179.97 182.08 2egr h TYR 28 N 0.56 0.72 -0.83 3.04 0.05 -0.66 0.29 116.97 120.13 2egr h TYR 28 Ca 0.09 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 2egr h TYR 28 Cb 0.64 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 2egr h TYR 28 CO 0.05 0.41 0.50 0.74 -1.05 0.00 0.00 178.16 178.81 2egr h PHE 29 N 0.75 1.09 -0.43 4.88 0.04 -0.90 -0.69 116.94 121.68 2egr h PHE 29 Ca 0.25 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.97 2egr h PHE 29 Cb 0.02 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 2egr h PHE 29 CO -0.05 0.73 0.09 1.49 -0.60 0.00 0.00 178.31 179.97 2egr h GLU 30 N 1.15 0.70 -0.86 1.51 4.81 -0.70 -0.37 114.58 120.82 2egr h GLU 30 Ca 0.30 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2egr h GLU 30 Cb -0.04 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 2egr h GLU 30 CO -0.06 0.72 0.56 0.93 -0.73 0.00 0.00 179.01 180.43 2egr h GLU 31 N 0.57 1.06 -0.25 1.92 5.08 -0.35 -1.14 114.58 121.46 2egr h GLU 31 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2egr h GLU 31 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2egr h GLU 31 CO 0.00 0.70 0.12 0.00 -1.00 0.00 0.00 179.01 178.83 2egr h ALA 32 N 1.35 0.33 -0.99 3.43 0.00 -0.77 -1.17 119.26 121.45 2egr h ALA 32 Ca 0.34 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2egr h ALA 32 Cb -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2egr h ALA 32 CO -0.11 -0.10 0.64 0.00 0.00 0.00 0.00 179.25 179.67 2egr h ARG 33 N 0.27 1.08 -0.48 0.00 3.08 -0.78 0.48 114.38 118.03 2egr h ARG 33 Ca 0.09 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2egr h ARG 33 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2egr h ARG 33 CO -0.01 0.72 -0.20 0.78 -1.07 0.00 0.00 179.97 180.19 2egr h GLY 34 N 1.11 1.06 1.34 0.04 0.00 -0.81 -2.02 103.07 103.78 2egr h GLY 34 Ca 0.44 -0.92 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 2egr h GLY 34 CO -0.19 0.83 -0.64 0.83 0.00 0.00 0.00 176.54 177.38 2egr h GLU 35 N 0.84 0.68 -0.28 4.80 4.39 -0.81 -0.10 114.58 124.10 2egr h GLU 35 Ca 0.11 -0.48 0.06 0.00 0.34 0.00 0.00 59.36 59.40 2egr h GLU 35 Cb 0.77 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.41 2egr h GLU 35 CO 0.06 1.10 -0.35 0.35 -1.16 0.00 0.00 179.01 179.01 2egr h PHE 36 N 0.50 -0.98 -0.54 4.33 3.57 -0.74 0.35 116.94 123.44 2egr h PHE 36 Ca -0.01 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2egr h PHE 36 Cb 1.23 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 2egr h PHE 36 CO 0.06 -0.41 0.06 -0.07 -2.23 0.00 0.00 178.31 175.73 2egr h LEU 37 N -0.34 0.88 -0.23 0.59 3.38 -1.23 -2.28 115.31 116.09 2egr h LEU 37 Ca 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2egr h LEU 37 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2egr h LEU 37 CO -0.47 0.94 0.15 -0.09 0.09 0.00 0.00 178.44 179.06 2egr h ARG 38 N 0.80 0.29 0.00 1.13 2.43 -0.78 -1.09 114.38 117.15 2egr h ARG 38 Ca 0.16 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2egr h ARG 38 Cb 0.45 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2egr h ARG 38 CO 0.02 0.19 -0.09 0.66 -1.51 0.00 0.00 179.97 179.24 2egr h SER 39 N 0.30 0.00 -0.03 -3.80 4.64 -0.07 -0.57 113.55 114.02 2egr h SER 39 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2egr h SER 39 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2egr h SER 39 CO -0.02 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2egr n LYS 40 N -4.35 1.61 -0.94 4.77 4.76 -0.88 -4.96 118.16 118.17 2egr n LYS 40 Ca -0.03 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 2egr n LYS 40 Cb 0.17 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2egr n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2egr n GLY 41 N 1.16 0.42 2.35 0.72 0.00 -0.22 -4.98 105.19 104.65 2egr n GLY 41 Ca 0.19 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2egr n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2egr n PHE 42 N -2.94 0.04 -1.86 1.61 -0.00 -0.46 -5.02 117.46 108.84 2egr n PHE 42 Ca 0.00 -3.57 -0.34 0.00 -0.00 0.00 0.00 57.45 53.54 2egr n PHE 42 Cb 0.00 -0.14 0.04 0.00 -0.00 0.00 0.00 39.48 39.39 2egr n PHE 42 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 2egr s PRO 43 N -0.80 2.81 0.35 -7.13 0.02 -1.24 -4.45 135.00 124.56 2egr s PRO 43 Ca 0.34 1.63 0.11 0.00 0.02 0.00 0.00 61.00 63.09 2egr s PRO 43 Cb 0.10 -1.93 0.87 0.00 0.02 0.00 0.00 34.50 33.56 2egr s PRO 43 CO -0.14 -1.28 1.81 -0.92 -0.33 0.00 0.00 177.00 176.13 2egr h TYR 44 N 0.42 0.86 -0.90 6.54 3.20 -1.89 -1.54 116.97 123.67 2egr h TYR 44 Ca -0.49 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.54 2egr h TYR 44 Cb 1.27 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 2egr h TYR 44 CO 0.50 0.21 0.52 0.66 -1.64 0.00 0.00 178.16 178.41 2egr h SER 45 N 0.63 0.71 -0.24 -2.11 4.64 -1.98 -0.75 113.55 114.45 2egr h SER 45 Ca 0.54 0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.82 2egr h SER 45 Cb 1.01 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2egr h SER 45 CO -0.29 0.36 -0.20 0.50 -0.87 0.00 0.00 176.83 176.32 2egr h LYS 46 N 0.80 0.69 -0.52 4.77 1.63 -1.64 -1.99 116.57 120.31 2egr h LYS 46 Ca 0.46 -0.26 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 2egr h LYS 46 Cb 0.54 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 2egr h LYS 46 CO -0.30 0.84 0.22 0.52 -3.45 0.00 0.00 179.45 177.28 2egr h MET 47 N 0.61 0.42 -0.15 1.90 2.86 -1.10 -2.73 114.93 116.75 2egr h MET 47 Ca 0.09 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2egr h MET 47 Cb 0.67 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2egr h MET 47 CO 0.05 0.28 -0.11 0.00 1.06 0.00 0.00 176.91 178.18 2egr h ARG 48 N 0.43 0.23 0.00 1.72 3.08 -0.93 -1.68 114.38 117.22 2egr h ARG 48 Ca 0.24 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2egr h ARG 48 Cb 0.22 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2egr h ARG 48 CO -0.21 0.36 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.39 2egr h ASP 49 N 0.22 0.00 1.77 7.04 3.32 -1.07 -2.13 116.42 125.57 2egr h ASP 49 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2egr h ASP 49 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2egr h ASP 49 CO 0.02 0.21 -0.01 0.24 -1.72 0.00 0.00 179.24 177.98 2egr h MET 50 N 0.00 0.00 0.00 3.56 2.86 -1.11 -3.47 114.93 116.77 2egr h MET 50 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2egr h MET 50 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2egr h MET 50 CO 0.03 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2egr n GLY 51 N 0.86 1.02 3.85 8.32 0.00 -0.80 -5.08 105.19 113.36 2egr n GLY 51 Ca 0.03 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2egr n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2egr s LEU 52 N 0.00 4.40 -0.06 0.99 1.43 -0.70 -4.36 118.68 120.38 2egr s LEU 52 Ca 0.00 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2egr s LEU 52 Cb 0.00 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2egr s LEU 52 CO 0.00 0.21 -0.24 -0.70 0.23 0.00 0.00 176.35 175.85 2egr s GLU 53 N -1.60 2.48 -0.26 1.70 2.12 0.45 -3.62 118.70 119.97 2egr s GLU 53 Ca 0.31 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.62 2egr s GLU 53 Cb -0.16 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 2egr s GLU 53 CO 0.17 0.33 0.50 0.08 -0.54 0.00 0.00 175.26 175.80 2egr s VAL 54 N -0.07 5.08 -0.21 3.70 1.01 -1.26 -0.91 120.40 127.75 2egr s VAL 54 Ca -0.06 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 2egr s VAL 54 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2egr s VAL 54 CO 0.04 0.10 0.03 -0.69 0.00 0.00 0.00 175.10 174.57 2egr s VAL 55 N 2.27 4.18 0.01 2.92 1.01 0.11 -4.95 120.40 125.95 2egr s VAL 55 Ca 0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2egr s VAL 55 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2egr s VAL 55 CO 0.09 0.41 1.13 -0.22 0.00 0.00 0.00 175.10 176.51 2egr s LEU 56 N 1.03 4.34 -0.23 3.92 2.96 -1.26 -0.78 118.68 128.66 2egr s LEU 56 Ca 0.03 1.85 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 2egr s LEU 56 Cb -0.14 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.80 2egr s LEU 56 CO 0.02 -0.43 -0.05 0.18 -1.32 0.00 0.00 176.35 174.75 2egr n LEU 57 N 4.24 2.19 -3.65 -0.68 4.77 0.16 -4.95 117.00 119.08 2egr n LEU 57 Ca 0.08 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 2egr n LEU 57 Cb 0.48 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2egr n LEU 57 CO 0.54 0.58 0.23 0.54 -1.33 0.00 0.00 177.39 177.96 2egr s ASN 58 N -7.07 -0.28 -0.05 -1.43 2.20 -1.19 -5.01 114.94 102.10 2egr s ASN 58 Ca -0.33 -0.35 -0.13 0.00 -0.94 0.00 0.00 52.86 51.11 2egr s ASN 58 Cb 0.10 0.53 0.03 0.00 -2.00 0.00 0.00 41.25 39.90 2egr s ASN 58 CO 0.58 -0.95 0.31 0.00 -2.94 0.00 0.00 177.10 174.10 2egr s ALA 59 N -3.83 -0.77 -0.03 3.54 0.00 -1.26 -1.60 121.76 117.81 2egr s ALA 59 Ca 0.05 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2egr s ALA 59 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2egr s ALA 59 CO -0.08 -0.22 0.07 -0.47 0.00 0.00 0.00 175.76 175.05 2egr s TYR 60 N -0.78 -0.06 -0.01 0.00 5.04 -0.24 -5.01 117.35 116.28 2egr s TYR 60 Ca -0.09 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 2egr s TYR 60 Cb -0.04 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.25 2egr s TYR 60 CO 0.03 -0.06 0.01 0.00 -1.34 0.00 0.00 175.55 174.19 2egr s GLU 62 N 0.57 3.37 -0.30 0.00 -1.05 0.82 -5.00 118.70 117.11 2egr s GLU 62 Ca -0.05 -0.65 -0.06 0.00 -0.15 0.00 0.00 54.97 54.06 2egr s GLU 62 Cb -0.07 -2.67 0.02 0.00 -0.44 0.00 0.00 34.13 30.96 2egr s GLU 62 CO -0.01 0.26 0.07 0.71 0.95 0.00 0.00 175.26 177.23 2egr s TYR 63 N 0.25 3.16 -0.24 4.83 2.02 -1.26 -1.33 117.35 124.78 2egr s TYR 63 Ca -0.08 -1.14 -0.07 0.00 -0.37 0.00 0.00 57.07 55.41 2egr s TYR 63 Cb -0.15 -2.24 -0.12 0.00 -0.40 0.00 0.00 41.96 39.05 2egr s TYR 63 CO 0.05 -0.63 -0.28 1.63 -1.57 0.00 0.00 175.55 174.75 2egr n LYS 64 N 4.83 0.55 -4.03 -0.62 5.02 0.14 -5.00 118.16 119.05 2egr n LYS 64 Ca -0.14 0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 2egr n LYS 64 Cb 0.47 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2egr n LYS 64 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2egr s LYS 65 N -2.46 0.43 0.75 1.97 -0.14 -0.67 -5.03 119.74 114.58 2egr s LYS 65 Ca -0.34 -0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 53.48 2egr s LYS 65 Cb 0.12 -0.12 0.04 0.00 -1.68 0.00 0.00 37.83 36.18 2egr s LYS 65 CO 0.47 0.01 1.09 -1.25 -0.76 0.00 0.00 175.35 174.91 2egr s PRO 66 N -1.49 2.52 -0.02 -1.68 0.04 -1.26 -4.68 135.00 128.43 2egr s PRO 66 Ca -0.12 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.57 2egr s PRO 66 Cb -0.10 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2egr s PRO 66 CO -0.00 -1.31 -0.05 -0.51 0.04 0.00 0.00 177.00 175.16 2egr s LEU 67 N -5.59 3.26 0.31 -3.56 1.43 -1.26 -5.02 118.68 108.25 2egr s LEU 67 Ca 0.59 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2egr s LEU 67 Cb -0.13 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2egr s LEU 67 CO 0.54 0.31 0.06 -0.36 0.23 0.00 0.00 176.35 177.12 2egr s PHE 68 N -0.96 2.68 0.12 0.29 0.08 -1.26 -0.48 117.98 118.44 2egr s PHE 68 Ca 0.16 -0.32 -0.35 0.00 0.12 0.00 0.00 56.93 56.53 2egr s PHE 68 Cb -0.11 -1.42 -0.16 0.00 -0.57 0.00 0.00 43.02 40.75 2egr s PHE 68 CO 0.06 0.48 1.33 0.98 -0.10 0.00 0.00 175.22 177.97 2egr n TYR 69 N -1.01 1.56 -0.96 0.36 9.36 -1.26 -2.01 117.16 123.20 2egr n TYR 69 Ca -0.05 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.78 2egr n TYR 69 Cb 0.60 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 2egr n TYR 69 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2egr n ASP 70 N 2.48 -2.32 -4.76 2.98 2.03 -0.58 -4.97 116.55 111.42 2egr n ASP 70 Ca 0.17 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.07 2egr n ASP 70 Cb 0.22 -0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 39.69 2egr n ASP 70 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2egr s ASP 71 N -2.28 6.78 -0.13 1.67 1.01 -0.85 -4.63 116.67 118.24 2egr s ASP 71 Ca 0.00 2.63 -0.17 0.00 0.71 0.00 0.00 52.55 55.71 2egr s ASP 71 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2egr s ASP 71 CO 0.00 -0.56 0.44 -0.69 0.21 0.00 0.00 175.17 174.58 2egr s VAL 72 N -0.71 5.21 0.16 -1.27 1.01 -1.26 -1.00 120.40 122.54 2egr s VAL 72 Ca 0.52 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2egr s VAL 72 Cb -0.39 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2egr s VAL 72 CO 0.48 0.33 0.04 0.72 0.00 0.00 0.00 175.10 176.67 2egr s PHE 73 N 0.68 1.06 -0.02 5.22 -0.12 0.07 -4.54 117.98 120.32 2egr s PHE 73 Ca 0.24 -1.14 0.03 0.00 -0.05 0.00 0.00 56.93 56.00 2egr s PHE 73 Cb -0.15 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.64 2egr s PHE 73 CO 0.09 -0.38 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.58 2egr s GLU 74 N -3.99 0.96 -0.35 1.99 2.02 -0.20 -1.33 118.70 117.79 2egr s GLU 74 Ca 0.25 -0.33 -0.13 0.00 0.02 0.00 0.00 54.97 54.78 2egr s GLU 74 Cb 0.07 -0.90 -0.00 0.00 0.10 0.00 0.00 34.13 33.39 2egr s GLU 74 CO 0.04 0.14 0.24 0.08 0.02 0.00 0.00 175.26 175.78 2egr s VAL 75 N 0.08 5.11 -0.34 2.63 1.01 0.03 0.06 120.40 128.97 2egr s VAL 75 Ca -0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2egr s VAL 75 Cb -0.08 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2egr s VAL 75 CO 0.00 -0.08 0.28 -1.00 0.00 0.00 0.00 175.10 174.30 2egr s HIS 76 N 1.68 3.22 -0.12 5.22 3.76 -0.04 -0.58 115.29 128.44 2egr s HIS 76 Ca 0.05 -0.16 -0.06 0.00 -0.15 0.00 0.00 55.06 54.75 2egr s HIS 76 Cb -0.18 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 2egr s HIS 76 CO 0.09 -0.38 0.10 -1.17 -0.85 0.00 0.00 174.74 172.53 2egr s LEU 77 N 1.81 4.17 -0.01 0.89 0.20 0.52 -1.07 118.68 125.19 2egr s LEU 77 Ca 0.08 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.28 2egr s LEU 77 Cb -0.17 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 2egr s LEU 77 CO 0.11 0.39 -0.04 0.21 -0.29 0.00 0.00 176.35 176.72 2egr s ASN 78 N -0.91 0.60 -0.14 3.68 2.47 -0.17 -1.92 114.94 118.56 2egr s ASN 78 Ca 0.14 -0.09 -0.29 0.00 0.42 0.00 0.00 52.86 53.04 2egr s ASN 78 Cb -0.12 -0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.53 2egr s ASN 78 CO 0.03 0.02 1.19 -0.22 -3.72 0.00 0.00 177.10 174.40 2egr s LEU 79 N 0.18 4.20 -0.21 3.21 2.96 -1.26 -0.42 118.68 127.35 2egr s LEU 79 Ca -0.02 1.66 0.15 0.00 -0.22 0.00 0.00 54.13 55.71 2egr s LEU 79 Cb -0.05 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.85 2egr s LEU 79 CO -0.00 -0.67 0.04 -0.62 -1.32 0.00 0.00 176.35 173.78 2egr n GLU 80 N 6.02 0.68 -3.64 1.98 -0.58 0.19 -4.92 120.64 120.36 2egr n GLU 80 Ca 0.12 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 2egr n GLU 80 Cb 0.46 -1.53 -0.08 0.00 -0.57 0.00 0.00 31.44 29.72 2egr n GLU 80 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2egr s GLU 81 N -2.50 0.78 -0.19 3.49 -6.30 -1.09 -4.95 118.70 107.94 2egr s GLU 81 Ca -0.14 0.81 -0.04 0.00 -2.50 0.00 0.00 54.97 53.10 2egr s GLU 81 Cb 0.07 0.38 0.08 0.00 0.00 0.00 0.00 34.13 34.66 2egr s GLU 81 CO 0.79 -0.12 0.19 -1.17 0.02 0.00 0.00 175.26 174.97 2egr s LEU 82 N 0.15 0.01 0.00 2.70 2.96 -1.26 -1.22 118.68 122.02 2egr s LEU 82 Ca -0.01 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2egr s LEU 82 Cb -0.04 0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.88 2egr s LEU 82 CO 0.02 -0.33 0.11 -1.54 -1.32 0.00 0.00 176.35 173.29 2egr n SER 83 N 5.31 2.66 -0.31 3.68 3.41 0.09 -5.02 113.62 123.44 2egr n SER 83 Ca -0.06 -2.43 0.07 0.00 -0.26 0.00 0.00 58.87 56.19 2egr n SER 83 Cb 0.49 0.14 0.23 0.00 -0.26 0.00 0.00 64.21 64.81 2egr n SER 83 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2egr h ARG 84 N 0.00 0.71 0.00 4.33 2.43 -2.01 -3.30 114.38 116.54 2egr h ARG 84 Ca -0.27 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 2egr h ARG 84 Cb 0.87 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2egr h ARG 84 CO 0.44 0.47 -1.59 1.19 -1.51 0.00 0.00 179.97 178.97 2egr n PHE 85 N -4.80 0.00 -4.29 2.20 3.72 -1.26 -0.32 117.46 112.71 2egr n PHE 85 Ca 0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.42 2egr n PHE 85 Cb 0.42 -0.36 -0.10 0.00 -0.94 0.00 0.00 39.48 38.49 2egr n PHE 85 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2egr s THR 86 N -2.55 0.98 0.04 4.37 -4.23 -1.24 -3.83 115.64 109.17 2egr s THR 86 Ca -0.04 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.32 2egr s THR 86 Cb 0.05 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2egr s THR 86 CO 0.45 -0.45 0.24 0.72 -0.54 0.00 0.00 174.62 175.04 2egr s PHE 87 N -3.46 -0.02 -0.09 3.99 -0.12 -0.62 -0.73 117.98 116.93 2egr s PHE 87 Ca 0.25 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 2egr s PHE 87 Cb 0.05 0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2egr s PHE 87 CO 0.06 -0.46 -0.10 0.99 -0.05 0.00 0.00 175.22 175.67 2egr s THR 88 N -2.49 1.07 -0.00 -4.49 2.01 -0.36 -0.51 115.64 110.87 2egr s THR 88 Ca -0.06 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 2egr s THR 88 Cb -0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2egr s THR 88 CO -0.03 0.36 0.14 -0.36 -0.69 0.00 0.00 174.62 174.03 2egr s PHE 89 N 1.21 3.42 0.14 4.92 0.08 -0.10 0.52 117.98 128.18 2egr s PHE 89 Ca -0.04 0.28 0.07 0.00 0.12 0.00 0.00 56.93 57.35 2egr s PHE 89 Cb -0.14 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2egr s PHE 89 CO -0.03 0.60 -0.03 -1.54 -0.10 0.00 0.00 175.22 174.13 2egr s SER 90 N -1.90 4.73 -0.01 1.36 1.04 0.45 -1.53 113.70 117.84 2egr s SER 90 Ca 0.26 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2egr s SER 90 Cb -0.12 -1.00 0.01 0.00 0.10 0.00 0.00 66.02 65.00 2egr s SER 90 CO 0.17 0.13 -0.01 -0.31 0.98 0.00 0.00 173.24 174.19 2egr s TYR 91 N -1.53 0.20 -0.10 5.02 2.02 0.22 -1.00 117.35 122.18 2egr s TYR 91 Ca 0.26 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2egr s TYR 91 Cb -0.10 -0.18 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 2egr s TYR 91 CO 0.17 -0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.33 2egr s ILE 92 N 0.22 1.86 -0.32 2.71 1.01 -0.23 -1.24 121.20 125.21 2egr s ILE 92 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2egr s ILE 92 Cb -0.04 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2egr s ILE 92 CO -0.01 0.51 0.35 -0.69 0.00 0.00 0.00 174.94 175.11 2egr s VAL 93 N 0.51 5.18 -0.10 2.92 1.01 0.19 -0.87 120.40 129.24 2egr s VAL 93 Ca -0.16 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2egr s VAL 93 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2egr s VAL 93 CO 0.06 -0.00 0.04 -0.36 0.00 0.00 0.00 175.10 174.84 2egr s PHE 94 N 2.02 3.29 -0.12 5.22 0.08 0.11 -0.13 117.98 128.45 2egr s PHE 94 Ca 0.12 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 2egr s PHE 94 Cb -0.16 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2egr s PHE 94 CO 0.11 0.52 -0.07 0.21 -0.10 0.00 0.00 175.22 175.90 2egr s LYS 95 N -0.85 1.43 5.64 0.44 2.20 0.53 -1.04 119.74 128.09 2egr s LYS 95 Ca 0.13 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 2egr s LYS 95 Cb -0.12 -1.58 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 2egr s LYS 95 CO 0.03 -0.29 0.00 0.39 -0.36 0.00 0.00 175.35 175.12 2egr n GLU 96 N 4.96 0.00 0.00 4.03 1.02 -1.26 -1.18 120.64 128.21 2egr n GLU 96 Ca -0.12 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2egr n GLU 96 Cb 0.50 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.60 2egr n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2egr n ASP 97 N 3.84 0.00 -4.41 1.62 10.43 -1.26 -4.90 116.55 121.86 2egr n ASP 97 Ca 0.00 -0.13 -0.33 0.00 2.57 0.00 0.00 54.79 56.89 2egr n ASP 97 Cb 0.00 -0.27 -0.13 0.00 1.84 0.00 0.00 41.12 42.55 2egr n ASP 97 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2egr s ILE 98 N -2.54 3.42 -0.23 0.53 -1.09 -0.32 -5.06 121.20 115.90 2egr s ILE 98 Ca 0.26 -0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 57.87 2egr s ILE 98 Cb 0.18 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 2egr s ILE 98 CO 0.40 0.50 1.57 0.00 -1.23 0.00 0.00 174.94 176.18 2egr s ALA 99 N 0.50 3.29 -0.08 9.38 0.00 -1.26 -0.35 121.76 133.24 2egr s ALA 99 Ca -0.06 0.42 0.18 0.00 0.00 0.00 0.00 51.96 52.50 2egr s ALA 99 Cb -0.15 -3.84 -0.28 0.00 0.00 0.00 0.00 23.12 18.85 2egr s ALA 99 CO 0.03 -1.92 0.31 0.28 0.00 0.00 0.00 175.76 174.46 2egr n VAL 100 N 6.37 0.41 -3.46 0.00 0.31 0.82 -4.66 118.33 118.12 2egr n VAL 100 Ca 0.18 -0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2egr n VAL 100 Cb 0.45 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.22 2egr n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2egr s ALA 101 N -3.05 -1.69 0.03 3.52 0.00 -1.19 -0.68 121.76 118.71 2egr s ALA 101 Ca -0.08 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2egr s ALA 101 Cb 0.10 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 2egr s ALA 101 CO 0.79 -0.69 -0.08 0.15 0.00 0.00 0.00 175.76 175.92 2egr s LYS 102 N -3.21 0.57 0.28 0.00 1.02 -0.44 -0.64 119.74 117.33 2egr s LYS 102 Ca 0.01 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 2egr s LYS 102 Cb -0.01 -0.43 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 2egr s LYS 102 CO -0.09 0.10 0.54 0.00 -0.92 0.00 0.00 175.35 174.98 2egr s ALA 103 N -1.03 -0.23 0.00 5.17 0.00 -0.37 -0.13 121.76 125.17 2egr s ALA 103 Ca -0.05 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 2egr s ALA 103 Cb -0.08 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.11 2egr s ALA 103 CO 0.01 -0.88 0.57 0.54 0.00 0.00 0.00 175.76 175.99 2egr s ASN 104 N -3.05 -0.51 -0.01 0.00 2.20 -0.64 -0.61 114.94 112.33 2egr s ASN 104 Ca 0.22 0.39 -0.00 0.00 -0.94 0.00 0.00 52.86 52.52 2egr s ASN 104 Cb -0.02 0.50 0.01 0.00 -2.00 0.00 0.00 41.25 39.73 2egr s ASN 104 CO 0.11 -0.65 0.02 0.42 -2.94 0.00 0.00 177.10 174.06 2egr s THR 105 N -1.83 -0.01 -0.04 0.54 -4.23 -0.58 -1.08 115.64 108.41 2egr s THR 105 Ca -0.08 0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 2egr s THR 105 Cb -0.01 -0.04 -0.02 0.00 1.34 0.00 0.00 72.50 73.77 2egr s THR 105 CO 0.03 0.01 -0.21 -0.75 -0.54 0.00 0.00 174.62 173.17 2egr s LYS 106 N 0.18 2.33 0.09 3.99 2.20 -0.63 -0.92 119.74 126.98 2egr s LYS 106 Ca -0.01 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 2egr s LYS 106 Cb -0.02 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 2egr s LYS 106 CO -0.01 0.56 -0.09 -1.01 -0.36 0.00 0.00 175.35 174.44 2egr s HIS 107 N -0.58 1.01 0.32 4.03 3.76 0.33 0.41 115.29 124.57 2egr s HIS 107 Ca 0.09 -0.69 0.06 0.00 -0.15 0.00 0.00 55.06 54.37 2egr s HIS 107 Cb -0.11 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 2egr s HIS 107 CO 0.00 -0.03 0.22 0.00 -0.85 0.00 0.00 174.74 174.08 2egr s MET 109 N -3.28 0.84 -0.02 0.00 -1.94 -1.25 0.08 119.30 113.73 2egr s MET 109 Ca 0.31 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2egr s MET 109 Cb 0.02 -0.83 0.00 0.00 2.01 0.00 0.00 34.83 36.03 2egr s MET 109 CO 0.22 0.20 -0.08 0.08 -0.01 0.00 0.00 175.02 175.43 2egr s VAL 110 N -1.00 0.68 -0.06 -6.03 1.01 -0.08 -1.29 120.40 113.63 2egr s VAL 110 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2egr s VAL 110 Cb -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2egr s VAL 110 CO 0.01 0.22 0.15 -0.75 0.00 0.00 0.00 175.10 174.73 2egr s LYS 111 N 0.21 0.14 -1.40 2.72 2.20 -0.16 -0.41 119.74 123.03 2egr s LYS 111 Ca -0.03 0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 2egr s LYS 111 Cb -0.08 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2egr s LYS 111 CO 0.00 -0.08 0.54 0.09 -0.36 0.00 0.00 175.35 175.54 2egr n ASN 112 N 3.53 -0.89 0.00 1.43 3.02 -1.26 -1.61 115.26 119.48 2egr n ASN 112 Ca -0.19 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2egr n ASN 112 Cb 0.56 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 2egr n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2egr n GLY 113 N -1.83 0.15 3.42 7.41 0.00 -1.26 -4.97 105.19 108.11 2egr n GLY 113 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2egr n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2egr s LYS 114 N -1.24 1.52 0.07 1.61 3.01 -0.63 -5.10 119.74 118.98 2egr s LYS 114 Ca 0.00 -1.30 -0.31 0.00 -1.01 0.00 0.00 55.97 53.36 2egr s LYS 114 Cb 0.00 -1.97 -0.08 0.00 -1.01 0.00 0.00 37.83 34.77 2egr s LYS 114 CO 0.00 0.46 1.61 0.42 0.51 0.00 0.00 175.35 178.35 2egr s ILE 115 N -1.09 3.09 0.14 2.17 1.01 -1.26 -0.99 121.20 124.26 2egr s ILE 115 Ca 0.15 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.44 2egr s ILE 115 Cb -0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2egr s ILE 115 CO 0.07 0.00 -0.07 0.68 0.00 0.00 0.00 174.94 175.63 2egr s VAL 116 N 2.47 3.46 0.62 2.92 -7.23 -0.41 -4.90 120.40 117.33 2egr s VAL 116 Ca 0.72 -1.37 -0.17 0.00 -1.81 0.00 0.00 61.98 59.35 2egr s VAL 116 Cb -0.39 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2egr s VAL 116 CO 0.31 0.01 1.15 -0.94 -0.31 0.00 0.00 175.10 175.32 2egr s SER 117 N -2.54 5.16 -0.03 4.85 1.04 -1.26 -4.40 113.70 116.52 2egr s SER 117 Ca 0.24 2.18 -0.30 0.00 0.48 0.00 0.00 55.95 58.55 2egr s SER 117 Cb -0.10 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.39 2egr s SER 117 CO 0.16 -1.60 1.59 -0.63 0.98 0.00 0.00 173.24 173.73 2egr s ILE 118 N -1.98 3.56 0.43 -1.02 1.01 0.56 -4.95 121.20 118.81 2egr s ILE 118 Ca 0.72 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.91 2egr s ILE 118 Cb -0.25 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 2egr s ILE 118 CO 0.36 -0.05 1.13 -2.65 0.00 0.00 0.00 174.94 173.73 2egr n PRO 119 N 6.60 1.58 -0.14 2.79 -0.02 -1.26 -4.71 135.00 139.84 2egr n PRO 119 Ca 0.16 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.26 2egr n PRO 119 Cb 0.43 -2.19 0.36 0.00 -0.02 0.00 0.00 33.50 32.07 2egr n PRO 119 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2egr h LYS 120 N 1.74 0.72 -0.83 -0.52 1.57 -1.99 0.57 116.57 117.82 2egr h LYS 120 Ca -0.46 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.37 2egr h LYS 120 Cb 1.32 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 2egr h LYS 120 CO 0.58 0.47 0.54 1.05 -0.57 0.00 0.00 179.45 181.53 2egr h GLU 121 N 0.74 0.80 0.11 3.15 4.11 -2.00 -0.87 114.58 120.61 2egr h GLU 121 Ca 0.27 -0.05 -0.29 0.00 0.07 0.00 0.00 59.36 59.36 2egr h GLU 121 Cb 0.14 -0.18 0.03 0.00 0.50 0.00 0.00 28.75 29.24 2egr h GLU 121 CO -0.08 0.53 -1.20 0.28 0.07 0.00 0.00 179.01 178.61 2egr h VAL 122 N 0.82 1.29 -0.84 -1.06 2.07 -1.30 -3.18 116.25 114.06 2egr h VAL 122 Ca 0.38 -2.43 0.14 0.00 0.82 0.00 0.00 66.70 65.61 2egr h VAL 122 Cb 0.38 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 32.75 2egr h VAL 122 CO -0.15 0.74 0.43 -0.07 0.02 0.00 0.00 177.57 178.54 2egr h LEU 123 N 0.25 0.52 -0.21 2.57 3.38 -0.79 -1.05 115.31 119.98 2egr h LEU 123 Ca -0.18 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2egr h LEU 123 Cb 1.87 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 2egr h LEU 123 CO 0.23 0.23 -0.12 -0.33 0.09 0.00 0.00 178.44 178.53 2egr h GLU 124 N 0.62 -0.11 -0.05 1.13 5.08 -1.18 -0.21 114.58 119.86 2egr h GLU 124 Ca 0.45 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.62 2egr h GLU 124 Cb 0.62 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2egr h GLU 124 CO -0.35 -0.07 -0.79 -0.39 -1.00 0.00 0.00 179.01 176.40 2egr h VAL 125 N -0.11 1.39 0.04 3.13 -1.51 -1.41 -3.28 116.25 114.51 2egr h VAL 125 Ca 0.12 -2.25 -0.00 0.00 -1.23 0.00 0.00 66.70 63.33 2egr h VAL 125 Cb 0.29 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2egr h VAL 125 CO -0.28 0.67 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.65 2egr h LEU 126 N 0.25 -0.04 0.00 4.19 3.38 -1.07 -3.49 115.31 118.52 2egr h LEU 126 Ca -0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2egr h LEU 126 Cb 1.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2egr h LEU 126 CO 0.13 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.14