#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frg s ILE 2 N 0.00 5.41 -0.17 0.53 1.01 -1.26 -4.90 121.20 121.82 1frg s ILE 2 Ca 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 1frg s ILE 2 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1frg s ILE 2 CO 0.00 0.58 -0.10 -0.69 0.00 0.00 0.00 174.94 174.73 1frg s VAL 3 N -0.78 3.17 -0.30 2.92 1.01 -1.26 -4.80 120.40 120.36 1frg s VAL 3 Ca 0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1frg s VAL 3 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1frg s VAL 3 CO 0.05 0.49 0.17 -0.04 0.00 0.00 0.00 175.10 175.77 1frg s MET 4 N 0.80 3.57 -0.27 2.72 1.00 -1.26 -0.56 119.30 125.30 1frg s MET 4 Ca -0.03 -0.57 -0.08 0.00 0.00 0.00 0.00 55.69 55.01 1frg s MET 4 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 34.83 31.04 1frg s MET 4 CO 0.01 -0.34 0.10 0.99 0.00 0.00 0.00 175.02 175.78 1frg s THR 5 N 1.68 4.37 -0.27 2.05 2.01 0.16 -4.36 115.64 121.28 1frg s THR 5 Ca 0.06 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1frg s THR 5 Cb -0.17 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.24 1frg s THR 5 CO 0.08 0.23 0.01 -1.10 -0.69 0.00 0.00 174.62 173.15 1frg s GLN 6 N 1.60 2.93 -0.09 4.92 -0.21 -1.26 -1.02 119.66 126.53 1frg s GLN 6 Ca 0.05 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 54.53 1frg s GLN 6 Cb -0.16 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1frg s GLN 6 CO 0.04 -0.43 -0.20 -1.54 -2.12 0.00 0.00 175.29 171.04 1frg s SER 7 N 1.40 3.45 0.24 5.90 1.04 -1.15 -4.41 113.70 120.16 1frg s SER 7 Ca 0.01 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1frg s SER 7 Cb -0.17 -1.26 0.02 0.00 0.10 0.00 0.00 66.02 64.70 1frg s SER 7 CO -0.01 0.20 0.13 -0.81 0.98 0.00 0.00 173.24 173.73 1frg n PRO 8 N 3.25 0.75 0.09 4.02 -0.04 -1.26 -1.62 135.00 140.19 1frg n PRO 8 Ca -0.18 -0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 62.70 1frg n PRO 8 Cb 0.53 -0.06 -0.14 0.00 -0.04 0.00 0.00 33.50 33.78 1frg n PRO 8 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1frg h SER 9 N -0.03 0.40 -4.69 3.54 4.64 -1.82 -3.39 113.55 112.20 1frg h SER 9 Ca -0.04 -0.46 -0.27 0.00 -0.47 0.00 0.00 61.79 60.55 1frg h SER 9 Cb 0.18 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 61.92 1frg h SER 9 CO 0.05 1.36 -0.73 -0.44 -0.87 0.00 0.00 176.83 176.20 1frg s SER 10 N -7.08 0.79 -0.05 4.97 0.01 -1.26 -0.55 113.70 110.54 1frg s SER 10 Ca -0.05 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1frg s SER 10 Cb 0.07 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1frg s SER 10 CO 0.87 -0.18 -0.13 -0.76 0.41 0.00 0.00 173.24 173.45 1frg s LEU 11 N -1.42 1.74 -0.20 2.44 1.43 0.62 -4.86 118.68 118.42 1frg s LEU 11 Ca -0.09 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1frg s LEU 11 Cb -0.09 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1frg s LEU 11 CO 0.00 0.07 0.10 -0.89 0.23 0.00 0.00 176.35 175.86 1frg s THR 12 N 0.42 5.07 0.11 5.49 2.01 -1.26 -1.04 115.64 126.44 1frg s THR 12 Ca -0.10 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1frg s THR 12 Cb -0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1frg s THR 12 CO 0.03 0.42 -0.08 0.68 -0.69 0.00 0.00 174.62 174.98 1frg s VAL 13 N 0.58 0.85 0.10 3.82 -7.23 0.41 -4.81 120.40 114.11 1frg s VAL 13 Ca 0.06 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1frg s VAL 13 Cb -0.12 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1frg s VAL 13 CO 0.01 -0.83 -0.19 0.42 -0.31 0.00 0.00 175.10 174.20 1frg s THR 14 N -3.53 1.54 0.58 5.32 -4.23 -1.26 0.05 115.64 114.11 1frg s THR 14 Ca 0.13 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 1frg s THR 14 Cb 0.04 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1frg s THR 14 CO -0.03 -0.14 1.23 0.00 -0.54 0.00 0.00 174.62 175.14 1frg n ALA 15 N 1.05 1.05 0.00 3.99 0.00 -1.26 -2.20 120.51 123.14 1frg n ALA 15 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1frg n ALA 15 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1frg n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frg n GLY 16 N 0.95 2.70 3.78 0.00 0.00 0.17 -4.87 105.19 107.93 1frg n GLY 16 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1frg n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frg s GLU 17 N -0.12 3.31 -0.19 1.61 2.02 -0.94 -4.57 118.70 119.83 1frg s GLU 17 Ca 0.00 1.44 -0.25 0.00 0.02 0.00 0.00 54.97 56.18 1frg s GLU 17 Cb 0.00 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1frg s GLU 17 CO 0.00 -0.85 0.82 0.21 0.02 0.00 0.00 175.26 175.46 1frg s LYS 18 N -3.60 4.26 0.33 1.61 2.20 -1.17 -0.60 119.74 122.77 1frg s LYS 18 Ca 0.69 0.98 0.09 0.00 -0.36 0.00 0.00 55.97 57.36 1frg s LYS 18 Cb -0.20 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1frg s LYS 18 CO 0.31 -0.37 0.08 0.14 -0.36 0.00 0.00 175.35 175.14 1frg s VAL 19 N 2.32 2.90 -0.15 4.02 -7.23 -0.12 -4.95 120.40 117.18 1frg s VAL 19 Ca 0.37 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.64 1frg s VAL 19 Cb -0.16 -2.90 0.06 0.00 0.56 0.00 0.00 36.38 33.94 1frg s VAL 19 CO 0.11 -0.20 0.37 -0.89 -0.31 0.00 0.00 175.10 174.17 1frg s THR 20 N -2.45 -0.07 0.02 5.32 2.01 -1.26 -1.85 115.64 117.36 1frg s THR 20 Ca 0.36 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.51 1frg s THR 20 Cb -0.02 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 1frg s THR 20 CO 0.21 0.05 -0.10 0.00 -0.69 0.00 0.00 174.62 174.09 1frg s MET 21 N 1.46 0.73 0.30 4.92 0.23 -0.19 -4.95 119.30 121.80 1frg s MET 21 Ca -0.09 -0.55 -0.07 0.00 -1.03 0.00 0.00 55.69 53.95 1frg s MET 21 Cb -0.09 -0.68 -0.06 0.00 -1.53 0.00 0.00 34.83 32.47 1frg s MET 21 CO -0.12 0.17 0.60 -1.12 -2.03 0.00 0.00 175.02 172.52 1frg s SER 22 N -0.80 6.51 -0.18 -1.18 0.01 -0.64 -1.45 113.70 115.97 1frg s SER 22 Ca 0.00 0.85 -0.05 0.00 1.31 0.00 0.00 55.95 58.07 1frg s SER 22 Cb -0.06 -2.20 0.07 0.00 0.21 0.00 0.00 66.02 64.04 1frg s SER 22 CO 0.00 -0.21 0.13 0.00 0.41 0.00 0.00 173.24 173.57 1frg s LYS 24 N 2.19 3.05 -0.01 0.00 3.01 -0.19 -1.98 119.74 125.81 1frg s LYS 24 Ca 0.03 -0.46 0.06 0.00 -1.01 0.00 0.00 55.97 54.59 1frg s LYS 24 Cb -0.16 -2.85 -0.03 0.00 -1.01 0.00 0.00 37.83 33.78 1frg s LYS 24 CO -0.10 0.67 -0.18 -1.54 0.51 0.00 0.00 175.35 174.71 1frg s SER 25 N -1.52 3.76 0.49 2.83 1.04 -0.50 0.36 113.70 120.16 1frg s SER 25 Ca 0.20 -0.33 0.23 0.00 0.48 0.00 0.00 55.95 56.54 1frg s SER 25 Cb -0.12 -0.67 1.25 0.00 0.10 0.00 0.00 66.02 66.59 1frg s SER 25 CO 0.11 0.31 2.01 0.77 0.98 0.00 0.00 173.24 177.42 1frg h SER 26 N 5.09 0.00 -4.05 7.02 4.64 -1.16 -3.43 113.55 121.65 1frg h SER 26 Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 1frg h SER 26 Cb 1.15 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.02 1frg h SER 26 CO 0.49 0.17 -0.85 -1.10 -0.87 0.00 0.00 176.83 174.67 1frg s GLN 27 N -4.24 1.25 0.44 4.77 1.11 -1.26 -4.98 119.66 116.75 1frg s GLN 27 Ca -0.03 -1.25 -0.25 0.00 0.01 0.00 0.00 55.36 53.84 1frg s GLN 27 Cb 0.14 -1.62 -0.09 0.00 -1.01 0.00 0.00 33.01 30.42 1frg s GLN 27 CO 0.62 0.38 1.27 0.45 0.01 0.00 0.00 175.29 178.03 1frg n SER 28 N 1.00 2.53 -1.55 5.90 2.88 -1.26 -4.84 113.62 118.28 1frg n SER 28 Ca -0.19 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.54 1frg n SER 28 Cb 0.53 -1.51 0.35 0.00 -0.75 0.00 0.00 64.21 62.84 1frg n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1frg n LEU 29 N 0.05 4.64 -4.63 2.46 4.77 -1.15 -4.93 117.00 118.22 1frg n LEU 29 Ca 0.07 -2.37 -0.43 0.00 -0.03 0.00 0.00 56.01 53.25 1frg n LEU 29 Cb 0.40 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1frg n LEU 29 CO 0.58 0.85 1.39 0.12 -1.33 0.00 0.00 177.39 179.00 1frg s PHE 30 N -1.70 2.05 -0.55 -1.77 2.19 -1.26 -0.64 117.98 116.29 1frg s PHE 30 Ca 0.51 0.53 -0.20 0.00 0.33 0.00 0.00 56.93 58.10 1frg s PHE 30 Cb 0.32 -4.00 0.07 0.00 -1.31 0.00 0.00 43.02 38.09 1frg s PHE 30 CO 0.26 -3.01 0.74 1.21 1.83 0.00 0.00 175.22 176.26 1frg s ASN 31 N 4.45 6.23 0.52 6.13 3.84 0.03 -4.94 114.94 131.19 1frg s ASN 31 Ca 0.73 -0.95 0.24 0.00 0.21 0.00 0.00 52.86 53.09 1frg s ASN 31 Cb -0.25 -2.33 1.30 0.00 -0.55 0.00 0.00 41.25 39.41 1frg s ASN 31 CO 0.30 -1.07 1.70 0.28 -2.79 0.00 0.00 177.10 175.51 1frg h SER 32 N 9.17 0.00 0.54 -4.21 0.02 -1.93 -1.48 113.55 115.66 1frg h SER 32 Ca -0.28 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.38 1frg h SER 32 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1frg h SER 32 CO 1.05 0.00 -1.48 1.23 -1.14 0.00 0.00 176.83 176.48 1frg h GLY 33 N 0.00 0.19 0.06 -3.77 0.00 -1.94 -3.30 103.07 94.31 1frg h GLY 33 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1frg h GLY 33 CO 0.00 0.42 -1.01 0.28 0.00 0.00 0.00 176.54 176.24 1frg n LYS 34 N -3.37 0.02 -1.28 4.80 4.76 -1.08 -4.96 118.16 117.06 1frg n LYS 34 Ca -0.14 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 1frg n LYS 34 Cb 1.03 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.67 1frg n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1frg n ARG 35 N -1.53 -1.32 -3.98 1.97 5.12 -0.58 -5.01 116.66 111.34 1frg n ARG 35 Ca 0.04 0.79 -0.28 0.00 -1.93 0.00 0.00 57.85 56.47 1frg n ARG 35 Cb 0.34 -4.98 -0.04 0.00 -1.16 0.00 0.00 32.46 26.62 1frg n ARG 35 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1frg s LYS 36 N -2.64 3.25 -0.08 5.56 -0.14 -1.19 -4.90 119.74 119.61 1frg s LYS 36 Ca 0.00 -0.61 -0.25 0.00 -1.36 0.00 0.00 55.97 53.75 1frg s LYS 36 Cb 0.00 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1frg s LYS 36 CO 0.00 0.55 0.79 -0.80 -0.76 0.00 0.00 175.35 175.13 1frg s ASN 37 N -2.83 7.05 -1.28 2.83 0.01 -1.26 -0.79 114.94 118.67 1frg s ASN 37 Ca 0.33 1.27 -0.09 0.00 -0.71 0.00 0.00 52.86 53.66 1frg s ASN 37 Cb -0.12 -2.45 0.17 0.00 0.41 0.00 0.00 41.25 39.26 1frg s ASN 37 CO 0.26 -0.22 1.92 0.49 -1.51 0.00 0.00 177.10 178.04 1frg n PHE 38 N 4.23 2.84 -4.96 2.20 3.01 0.18 -3.53 117.46 121.44 1frg n PHE 38 Ca 0.02 -2.78 -0.32 0.00 1.01 0.00 0.00 57.45 55.38 1frg n PHE 38 Cb 0.51 -1.90 -0.15 0.00 -0.01 0.00 0.00 39.48 37.93 1frg n PHE 38 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1frg s LEU 39 N -0.52 2.50 -0.07 4.37 2.96 -1.26 -1.82 118.68 124.84 1frg s LEU 39 Ca 0.41 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1frg s LEU 39 Cb 0.10 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1frg s LEU 39 CO -0.00 0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.15 1frg s THR 40 N 0.14 1.64 -0.04 3.68 2.01 -0.68 -2.05 115.64 120.33 1frg s THR 40 Ca -0.09 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 1frg s THR 40 Cb -0.15 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1frg s THR 40 CO 0.06 0.47 0.39 0.26 -0.69 0.00 0.00 174.62 175.10 1frg s TRP 41 N 0.26 3.66 0.09 4.92 0.52 -0.04 -0.22 118.94 128.13 1frg s TRP 41 Ca -0.11 0.91 0.03 0.00 0.02 0.00 0.00 56.10 56.94 1frg s TRP 41 Cb -0.15 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 1frg s TRP 41 CO 0.05 0.53 -0.08 0.71 0.02 0.00 0.00 176.95 178.18 1frg s TYR 42 N -0.64 0.93 0.11 -1.98 1.51 0.19 -1.52 117.35 115.95 1frg s TYR 42 Ca 0.23 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1frg s TYR 42 Cb -0.16 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1frg s TYR 42 CO 0.11 -0.07 -0.04 -3.38 -1.11 0.00 0.00 175.55 171.06 1frg s HIS 43 N -2.71 0.93 -0.06 2.71 -3.43 -0.37 -0.43 115.29 111.92 1frg s HIS 43 Ca 0.05 -0.97 -0.04 0.00 -0.80 0.00 0.00 55.06 53.31 1frg s HIS 43 Cb -0.01 -0.54 0.03 0.00 -1.43 0.00 0.00 32.58 30.63 1frg s HIS 43 CO -0.02 -0.20 0.15 -1.14 -2.00 0.00 0.00 174.74 171.53 1frg s GLN 44 N -3.87 0.13 0.06 -0.38 0.74 -0.80 -0.74 119.66 114.80 1frg s GLN 44 Ca 0.15 0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.92 1frg s GLN 44 Cb 0.06 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 1frg s GLN 44 CO -0.03 -0.11 -0.07 0.15 -0.55 0.00 0.00 175.29 174.68 1frg s LYS 45 N 0.75 2.37 -0.30 1.67 1.02 -1.26 -3.02 119.74 120.97 1frg s LYS 45 Ca -0.06 -0.86 -0.41 0.00 0.02 0.00 0.00 55.97 54.66 1frg s LYS 45 Cb -0.07 -2.42 -0.16 0.00 -0.52 0.00 0.00 37.83 34.65 1frg s LYS 45 CO -0.04 0.55 1.71 -0.35 -0.92 0.00 0.00 175.35 176.31 1frg n PRO 46 N 1.09 0.98 0.00 -1.68 -0.04 -1.26 -1.08 135.00 133.01 1frg n PRO 46 Ca -0.14 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1frg n PRO 46 Cb 0.52 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1frg n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1frg n GLY 47 N 4.12 3.01 3.83 0.55 0.00 -1.26 -5.03 105.19 110.42 1frg n GLY 47 Ca 0.27 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1frg n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1frg s GLN 48 N 0.00 3.52 0.87 1.61 -0.21 -0.24 -5.05 119.66 120.16 1frg s GLN 48 Ca 0.00 0.97 -0.11 0.00 0.02 0.00 0.00 55.36 56.24 1frg s GLN 48 Cb 0.00 -2.07 0.12 0.00 1.00 0.00 0.00 33.01 32.06 1frg s GLN 48 CO 0.00 -0.63 1.11 -1.25 -2.12 0.00 0.00 175.29 172.40 1frg s PRO 49 N -4.51 1.44 0.91 2.91 0.04 -1.26 -4.31 135.00 130.21 1frg s PRO 49 Ca 0.59 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1frg s PRO 49 Cb -0.12 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1frg s PRO 49 CO 0.42 -2.25 0.77 -2.30 0.04 0.00 0.00 177.00 173.68 1frg n PRO 50 N -3.95 -0.26 -4.48 0.56 -0.02 -1.26 -4.46 135.00 121.13 1frg n PRO 50 Ca 0.10 -0.02 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 1frg n PRO 50 Cb 0.53 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 1frg n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1frg s LYS 51 N -3.98 1.31 0.07 -0.52 2.20 0.08 -4.95 119.74 113.95 1frg s LYS 51 Ca 0.63 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.59 1frg s LYS 51 Cb -0.24 -1.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.88 1frg s LYS 51 CO 0.62 0.06 1.02 -1.17 -0.36 0.00 0.00 175.35 175.52 1frg s LEU 52 N 0.48 4.43 -0.06 5.43 0.20 -1.26 -1.23 118.68 126.67 1frg s LEU 52 Ca -0.09 1.81 -0.05 0.00 0.69 0.00 0.00 54.13 56.49 1frg s LEU 52 Cb -0.13 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1frg s LEU 52 CO 0.02 -0.22 -0.11 0.18 -0.29 0.00 0.00 176.35 175.93 1frg n LEU 53 N 3.32 0.82 -3.84 -0.68 4.32 -0.58 -4.83 117.00 115.54 1frg n LEU 53 Ca 0.05 0.13 -0.13 0.00 -0.02 0.00 0.00 56.01 56.04 1frg n LEU 53 Cb 0.49 -0.31 -0.14 0.00 -1.62 0.00 0.00 43.42 41.83 1frg n LEU 53 CO 0.52 -0.04 -0.33 -0.63 -1.22 0.00 0.00 177.39 175.69 1frg s ILE 54 N -2.19 -0.02 0.21 -0.08 1.01 -1.20 -1.60 121.20 117.33 1frg s ILE 54 Ca -0.11 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1frg s ILE 54 Cb 0.04 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.40 1frg s ILE 54 CO 0.15 0.02 -0.16 -0.72 0.00 0.00 0.00 174.94 174.23 1frg s TYR 55 N 0.30 1.87 -1.27 3.97 1.13 0.12 -0.86 117.35 122.61 1frg s TYR 55 Ca -0.02 -0.50 -0.07 0.00 -1.41 0.00 0.00 57.07 55.07 1frg s TYR 55 Cb -0.04 -0.86 0.01 0.00 -1.10 0.00 0.00 41.96 39.97 1frg s TYR 55 CO -0.01 0.44 0.91 0.91 -2.51 0.00 0.00 175.55 175.29 1frg n TRP 56 N -0.30 -2.35 0.00 -3.49 8.01 -0.87 -1.22 117.44 117.22 1frg n TRP 56 Ca -0.08 0.78 0.00 0.00 -1.31 0.00 0.00 57.50 56.89 1frg n TRP 56 Cb 0.60 -4.48 0.00 0.00 -2.01 0.00 0.00 31.31 25.41 1frg n TRP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1frg n ALA 57 N -4.35 0.00 -1.38 6.99 0.00 -0.98 -4.27 120.51 116.52 1frg n ALA 57 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1frg n ALA 57 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1frg n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1frg n SER 58 N 0.25 0.00 -4.72 0.00 3.41 -1.23 -2.44 113.62 108.89 1frg n SER 58 Ca 0.00 -1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 57.26 1frg n SER 58 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1frg n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1frg s THR 59 N 0.00 5.19 -0.05 6.66 2.01 -0.36 -4.61 115.64 124.48 1frg s THR 59 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 1frg s THR 59 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1frg s THR 59 CO 0.00 0.48 0.66 -0.60 -0.69 0.00 0.00 174.62 174.47 1frg s ARG 60 N 0.13 4.41 0.89 4.92 3.52 -1.26 0.15 118.95 131.72 1frg s ARG 60 Ca 0.07 0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 56.39 1frg s ARG 60 Cb -0.12 -3.41 0.13 0.00 -1.56 0.00 0.00 34.95 29.99 1frg s ARG 60 CO -0.00 0.16 1.09 -1.21 -0.81 0.00 0.00 175.30 174.53 1frg s GLU 61 N 0.48 1.28 -0.07 5.12 0.41 -0.63 -4.93 118.70 120.36 1frg s GLU 61 Ca 0.35 0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 55.63 1frg s GLU 61 Cb -0.18 -1.80 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 1frg s GLU 61 CO 0.18 -2.26 0.64 -1.54 -0.49 0.00 0.00 175.26 171.79 1frg s SER 62 N -3.30 6.91 0.00 -0.19 1.04 -1.26 -2.94 113.70 113.96 1frg s SER 62 Ca 0.64 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1frg s SER 62 Cb -0.19 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1frg s SER 62 CO 0.57 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1frg n GLY 63 N 3.09 0.37 3.69 7.32 0.00 -1.26 -5.04 105.19 113.35 1frg n GLY 63 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1frg n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frg s VAL 64 N -2.00 5.05 0.44 1.61 1.01 -1.15 -4.98 120.40 120.37 1frg s VAL 64 Ca 0.00 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.98 1frg s VAL 64 Cb 0.00 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1frg s VAL 64 CO 0.00 0.18 1.01 -0.81 0.00 0.00 0.00 175.10 175.48 1frg n PRO 65 N 4.49 1.33 0.30 2.72 -0.04 -1.26 -4.84 135.00 137.69 1frg n PRO 65 Ca -0.02 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 64.00 1frg n PRO 65 Cb 0.50 -2.06 0.40 0.00 -0.04 0.00 0.00 33.50 32.30 1frg n PRO 65 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1frg h ASP 66 N 1.46 0.00 1.03 3.54 1.82 -1.97 -1.74 116.42 120.55 1frg h ASP 66 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1frg h ASP 66 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1frg h ASP 66 CO 0.56 0.00 -0.24 0.54 -1.61 0.00 0.00 179.24 178.49 1frg n ARG 67 N -2.74 0.16 -3.09 0.28 1.74 -1.26 -4.74 116.66 107.00 1frg n ARG 67 Ca 0.00 0.09 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 1frg n ARG 67 Cb 0.74 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 1frg n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1frg s PHE 68 N -3.07 3.60 -0.00 -1.55 0.40 -0.66 -2.50 117.98 114.19 1frg s PHE 68 Ca 0.10 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.69 1frg s PHE 68 Cb 0.15 -2.75 -0.01 0.00 0.51 0.00 0.00 43.02 40.93 1frg s PHE 68 CO 0.63 0.16 -0.11 0.45 0.70 0.00 0.00 175.22 177.05 1frg s SER 69 N 0.55 1.25 0.11 1.36 0.15 -0.19 -4.99 113.70 111.94 1frg s SER 69 Ca 0.35 -0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.88 1frg s SER 69 Cb -0.18 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1frg s SER 69 CO 0.18 0.11 -0.25 -0.83 1.20 0.00 0.00 173.24 173.65 1frg s GLY 70 N -0.35 1.42 0.15 9.45 0.00 -1.26 -0.63 107.32 116.11 1frg s GLY 70 Ca 0.03 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 1frg s GLY 70 CO -0.00 -1.33 0.84 -1.35 0.00 0.00 0.00 173.10 171.26 1frg s SER 71 N -1.88 -0.29 0.00 1.64 1.04 -0.05 -4.17 113.70 109.99 1frg s SER 71 Ca 0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1frg s SER 71 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1frg s SER 71 CO 0.05 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1frg n GLY 72 N -0.41 1.76 3.53 7.32 0.00 -1.26 0.19 105.19 116.32 1frg n GLY 72 Ca -0.08 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 1frg n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1frg s SER 73 N 0.00 -0.62 0.06 1.61 0.01 -0.68 -4.89 113.70 109.18 1frg s SER 73 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1frg s SER 73 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1frg s SER 73 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1frg n GLY 74 N 0.94 1.95 0.00 3.44 0.00 -1.26 -3.21 105.19 107.04 1frg n GLY 74 Ca -0.18 0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1frg n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1frg n THR 75 N 0.00 0.00 -4.10 2.61 -1.04 -1.26 -2.95 114.28 107.54 1frg n THR 75 Ca 0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.05 61.47 1frg n THR 75 Cb 0.00 0.69 -0.16 0.00 -1.82 0.00 0.00 70.33 69.05 1frg n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1frg s ASP 76 N -1.72 3.63 0.06 8.00 1.11 -1.20 -1.41 116.67 125.14 1frg s ASP 76 Ca -0.00 -0.94 0.08 0.00 0.18 0.00 0.00 52.55 51.86 1frg s ASP 76 Cb 0.01 -1.49 -0.03 0.00 1.07 0.00 0.00 42.92 42.48 1frg s ASP 76 CO 0.06 -0.08 -0.21 -0.36 1.18 0.00 0.00 175.17 175.76 1frg s PHE 77 N 1.22 1.83 -0.00 4.23 0.08 -0.84 -1.69 117.98 122.81 1frg s PHE 77 Ca -0.01 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 1frg s PHE 77 Cb -0.16 -1.07 -0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1frg s PHE 77 CO -0.10 0.12 0.05 0.95 -0.10 0.00 0.00 175.22 176.14 1frg s THR 78 N -0.89 0.06 -0.08 0.64 -4.23 0.13 -1.17 115.64 110.10 1frg s THR 78 Ca 0.07 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1frg s THR 78 Cb -0.09 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 1frg s THR 78 CO 0.02 -0.27 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.49 1frg s LEU 79 N -0.84 2.84 -0.02 4.79 2.96 -0.53 -0.87 118.68 127.01 1frg s LEU 79 Ca -0.09 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1frg s LEU 79 Cb -0.06 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1frg s LEU 79 CO 0.00 0.29 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.28 1frg s THR 80 N -0.36 1.16 -0.25 3.68 2.01 0.20 -1.03 115.64 121.05 1frg s THR 80 Ca 0.04 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1frg s THR 80 Cb -0.12 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.44 1frg s THR 80 CO 0.02 0.34 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.57 1frg s ILE 81 N -0.12 2.46 -0.23 1.82 1.01 -0.77 -1.02 121.20 124.35 1frg s ILE 81 Ca 0.01 -1.34 0.21 0.00 0.00 0.00 0.00 60.65 59.53 1frg s ILE 81 Cb -0.08 -2.33 0.23 0.00 0.01 0.00 0.00 42.46 40.29 1frg s ILE 81 CO 0.00 0.10 1.60 0.71 0.00 0.00 0.00 174.94 177.36 1frg h THR 82 N 6.44 0.37 -2.28 2.92 1.35 -1.74 -0.29 112.91 119.69 1frg h THR 82 Ca -0.27 -1.42 -0.57 0.00 -0.55 0.00 0.00 66.41 63.61 1frg h THR 82 Cb 1.07 2.09 -0.37 0.00 -1.73 0.00 0.00 68.15 69.22 1frg h THR 82 CO 0.53 0.20 -0.96 -0.24 -0.25 0.00 0.00 175.52 174.80 1frg n SER 83 N -3.18 -0.63 -4.74 5.36 2.88 -1.20 -3.07 113.62 109.04 1frg n SER 83 Ca 0.03 -2.41 -0.42 0.00 -1.33 0.00 0.00 58.87 54.74 1frg n SER 83 Cb 0.58 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1frg n SER 83 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1frg n VAL 84 N 2.80 1.53 -4.47 2.46 3.14 0.23 -4.30 118.33 119.72 1frg n VAL 84 Ca 0.29 -0.38 -0.26 0.00 -2.96 0.00 0.00 64.34 61.03 1frg n VAL 84 Cb 0.49 -1.85 -0.10 0.00 -1.06 0.00 0.00 33.84 31.32 1frg n VAL 84 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1frg s GLN 85 N -1.29 1.95 0.32 1.45 -1.52 -1.26 0.43 119.66 119.73 1frg s GLN 85 Ca 0.59 -1.91 0.01 0.00 -1.95 0.00 0.00 55.36 52.10 1frg s GLN 85 Cb -0.52 -1.77 0.52 0.00 -0.22 0.00 0.00 33.01 31.02 1frg s GLN 85 CO 0.56 0.08 1.91 0.00 -0.25 0.00 0.00 175.29 177.59 1frg h ALA 86 N 1.87 1.37 0.00 6.09 0.00 -1.98 -0.96 119.26 125.64 1frg h ALA 86 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1frg h ALA 86 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1frg h ALA 86 CO 0.72 0.48 0.00 -0.85 0.00 0.00 0.00 179.25 179.60 1frg n GLU 87 N -4.34 0.58 0.00 0.00 -0.00 -1.26 -2.32 120.64 113.30 1frg n GLU 87 Ca 0.05 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.33 1frg n GLU 87 Cb 0.15 -1.05 0.25 0.00 -0.00 0.00 0.00 31.44 30.79 1frg n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1frg n ASP 88 N -0.55 2.09 -4.62 -1.84 9.92 -0.37 -4.89 116.55 116.29 1frg n ASP 88 Ca 0.01 -1.60 -0.43 0.00 -0.53 0.00 0.00 54.79 52.24 1frg n ASP 88 Cb 0.01 0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.57 1frg n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1frg s LEU 89 N -2.16 3.81 0.00 0.64 1.43 -0.98 -4.88 118.68 116.54 1frg s LEU 89 Ca 0.29 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.41 1frg s LEU 89 Cb 0.20 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.93 1frg s LEU 89 CO 0.39 -1.19 0.63 0.00 0.23 0.00 0.00 176.35 176.42 1frg n ALA 90 N 8.01 -1.62 -2.74 4.21 0.00 -1.26 -4.94 120.51 122.17 1frg n ALA 90 Ca 0.16 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1frg n ALA 90 Cb 0.47 0.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.25 1frg n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frg s ILE 91 N -2.27 5.33 -0.14 0.00 1.01 -1.17 -1.57 121.20 122.39 1frg s ILE 91 Ca 0.14 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 1frg s ILE 91 Cb -0.02 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1frg s ILE 91 CO 0.04 0.56 -0.04 -0.31 0.00 0.00 0.00 174.94 175.19 1frg s TYR 92 N -0.70 3.03 0.04 3.97 1.51 -0.09 -1.89 117.35 123.22 1frg s TYR 92 Ca 0.17 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1frg s TYR 92 Cb -0.13 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1frg s TYR 92 CO 0.06 0.04 -0.16 0.71 -1.11 0.00 0.00 175.55 175.08 1frg s TYR 93 N 0.17 1.44 0.16 2.71 2.02 0.42 -1.31 117.35 122.96 1frg s TYR 93 Ca -0.01 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.39 1frg s TYR 93 Cb -0.14 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1frg s TYR 93 CO 0.03 0.05 0.04 0.00 -1.57 0.00 0.00 175.55 174.10 1frg s GLN 95 N -2.92 0.11 -0.04 0.00 0.74 0.70 -1.29 119.66 116.95 1frg s GLN 95 Ca 0.28 -0.18 -0.23 0.00 0.05 0.00 0.00 55.36 55.28 1frg s GLN 95 Cb -0.10 0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.98 1frg s GLN 95 CO 0.20 -0.01 0.70 1.21 -0.55 0.00 0.00 175.29 176.84 1frg s ASN 96 N -0.41 7.02 -0.03 6.67 2.47 -0.01 -1.69 114.94 128.96 1frg s ASN 96 Ca -0.04 1.23 0.16 0.00 0.42 0.00 0.00 52.86 54.62 1frg s ASN 96 Cb -0.03 -2.41 0.28 0.00 -1.45 0.00 0.00 41.25 37.64 1frg s ASN 96 CO -0.00 -0.06 1.12 -0.67 -3.72 0.00 0.00 177.10 173.77 1frg n ASP 97 N 3.46 0.87 -0.04 -4.21 2.03 -0.76 -3.83 116.55 114.07 1frg n ASP 97 Ca -0.02 -2.31 -0.22 0.00 0.52 0.00 0.00 54.79 52.77 1frg n ASP 97 Cb 0.51 -0.31 -0.13 0.00 -0.72 0.00 0.00 41.12 40.48 1frg n ASP 97 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1frg h TYR 98 N 0.61 0.27 -3.17 -0.67 3.20 -1.88 -3.48 116.97 111.85 1frg h TYR 98 Ca -0.11 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.44 1frg h TYR 98 Cb 1.57 -0.01 -0.19 0.00 1.54 0.00 0.00 36.73 39.63 1frg h TYR 98 CO 0.21 1.61 -0.31 -1.54 -1.64 0.00 0.00 178.16 176.50 1frg s SER 99 N -6.96 -0.14 0.48 -2.11 1.04 -1.26 -5.03 113.70 99.72 1frg s SER 99 Ca -0.24 -0.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.94 1frg s SER 99 Cb 0.06 0.30 -0.07 0.00 0.10 0.00 0.00 66.02 66.41 1frg s SER 99 CO 0.70 -0.47 1.12 -1.00 0.98 0.00 0.00 173.24 174.56 1frg s HIS 100 N -1.63 2.88 0.72 5.02 3.76 -1.26 -4.03 115.29 120.75 1frg s HIS 100 Ca -0.12 1.56 -0.15 0.00 -0.15 0.00 0.00 55.06 56.20 1frg s HIS 100 Cb -0.04 -3.27 0.03 0.00 1.11 0.00 0.00 32.58 30.41 1frg s HIS 100 CO 0.02 -1.30 1.19 -1.25 -0.85 0.00 0.00 174.74 172.56 1frg s PRO 101 N -2.94 2.23 -0.09 8.40 0.04 -1.26 -4.96 135.00 136.42 1frg s PRO 101 Ca 0.66 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.16 1frg s PRO 101 Cb -0.24 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1frg s PRO 101 CO 0.29 -1.76 0.79 -0.51 0.04 0.00 0.00 177.00 175.85 1frg s LEU 102 N -5.11 4.28 -0.03 -3.56 1.43 -1.26 -4.70 118.68 109.73 1frg s LEU 102 Ca 0.73 1.26 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1frg s LEU 102 Cb -0.28 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1frg s LEU 102 CO 0.45 -0.23 -0.25 0.42 0.23 0.00 0.00 176.35 176.97 1frg s THR 103 N 1.26 1.99 0.07 5.49 -4.23 -1.25 -4.98 115.64 113.99 1frg s THR 103 Ca 0.40 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1frg s THR 103 Cb -0.18 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1frg s THR 103 CO 0.18 0.56 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.42 1frg s PHE 104 N -0.43 2.91 1.04 3.99 0.40 -1.26 -0.83 117.98 123.80 1frg s PHE 104 Ca 0.05 -0.06 -0.14 0.00 -0.60 0.00 0.00 56.93 56.18 1frg s PHE 104 Cb -0.11 -1.53 0.21 0.00 0.51 0.00 0.00 43.02 42.09 1frg s PHE 104 CO 0.01 0.44 1.11 0.20 0.70 0.00 0.00 175.22 177.68 1frg s GLY 105 N -2.05 1.57 0.40 4.36 0.00 -0.42 -4.74 107.32 106.45 1frg s GLY 105 Ca 0.22 -0.53 0.21 0.00 0.00 0.00 0.00 44.72 44.62 1frg s GLY 105 CO 0.14 0.14 1.76 0.00 0.00 0.00 0.00 173.10 175.14 1frg h ALA 106 N -2.01 1.00 0.00 3.20 0.00 -1.89 -3.45 119.26 116.11 1frg h ALA 106 Ca -0.52 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1frg h ALA 106 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1frg h ALA 106 CO 0.53 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1frg n GLY 107 N 0.24 2.99 3.12 0.00 0.00 -1.26 -5.05 105.19 105.23 1frg n GLY 107 Ca -0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1frg n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1frg s THR 108 N -1.82 1.81 -0.13 2.61 2.01 -0.43 -4.63 115.64 115.07 1frg s THR 108 Ca 0.00 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 1frg s THR 108 Cb 0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1frg s THR 108 CO 0.00 0.50 0.27 -0.75 -0.69 0.00 0.00 174.62 173.96 1frg s LYS 109 N 0.91 4.05 -0.10 4.92 2.20 0.28 -0.91 119.74 131.10 1frg s LYS 109 Ca -0.06 0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.51 1frg s LYS 109 Cb -0.15 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1frg s LYS 109 CO -0.02 0.41 0.28 -0.51 -0.36 0.00 0.00 175.35 175.15 1frg s LEU 110 N -0.06 4.36 0.09 5.43 1.43 -0.61 -0.28 118.68 129.04 1frg s LEU 110 Ca 0.17 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1frg s LEU 110 Cb -0.13 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1frg s LEU 110 CO 0.05 0.27 -0.08 -1.61 0.23 0.00 0.00 176.35 175.20 1frg s GLU 111 N -0.49 0.78 -0.04 1.70 2.02 -0.21 -4.30 118.70 118.17 1frg s GLU 111 Ca 0.18 -1.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 1frg s GLU 111 Cb -0.14 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 1frg s GLU 111 CO 0.07 0.04 0.13 -1.17 0.02 0.00 0.00 175.26 174.35 1frg s LEU 112 N -2.46 4.16 0.24 1.80 2.96 -1.26 -0.44 118.68 123.67 1frg s LEU 112 Ca 0.04 0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 53.98 1frg s LEU 112 Cb -0.02 -2.33 -0.09 0.00 0.50 0.00 0.00 46.19 44.26 1frg s LEU 112 CO -0.01 0.31 0.86 -0.75 -1.32 0.00 0.00 176.35 175.43 1frg s LYS 113 N -1.61 4.62 0.00 1.98 2.20 0.11 -4.73 119.74 122.32 1frg s LYS 113 Ca 0.22 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1frg s LYS 113 Cb -0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1frg s LYS 113 CO 0.13 0.46 0.00 2.89 -0.36 0.00 0.00 175.35 178.47 1frg n ARG 114 N 1.19 0.00 -2.46 4.03 -4.01 -1.26 -4.87 116.66 109.28 1frg n ARG 114 Ca -0.02 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.46 1frg n ARG 114 Cb 0.49 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.87 1frg n ARG 114 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1frg s ALA 115 N -1.54 3.00 0.83 2.89 0.00 -1.26 -5.02 121.76 120.66 1frg s ALA 115 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1frg s ALA 115 Cb 0.00 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 20.06 1frg s ALA 115 CO 0.00 -0.24 1.17 -0.51 0.00 0.00 0.00 175.76 176.18 1frg s ASP 116 N -2.72 3.53 -0.21 0.00 1.01 -1.26 -4.73 116.67 112.29 1frg s ASP 116 Ca 0.61 2.24 -0.20 0.00 0.71 0.00 0.00 52.55 55.91 1frg s ASP 116 Cb -0.11 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.30 1frg s ASP 116 CO 0.27 -2.70 0.57 0.00 0.21 0.00 0.00 175.17 173.52 1frg s ALA 117 N -2.40 -1.41 0.22 5.23 0.00 -0.47 -4.86 121.76 118.06 1frg s ALA 117 Ca 0.69 1.58 0.06 0.00 0.00 0.00 0.00 51.96 54.30 1frg s ALA 117 Cb -0.25 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1frg s ALA 117 CO 0.53 -0.27 0.18 0.00 0.00 0.00 0.00 175.76 176.20 1frg s ALA 118 N 0.23 3.60 0.19 0.00 0.00 -1.26 -1.38 121.76 123.13 1frg s ALA 118 Ca -0.01 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 1frg s ALA 118 Cb -0.04 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 1frg s ALA 118 CO 0.01 0.35 1.06 -1.25 0.00 0.00 0.00 175.76 175.93 1frg s PRO 119 N -3.56 4.65 -0.83 0.00 0.04 -1.26 -4.61 135.00 129.42 1frg s PRO 119 Ca 0.32 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1frg s PRO 119 Cb -0.09 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1frg s PRO 119 CO 0.25 0.17 1.24 0.99 0.04 0.00 0.00 177.00 179.69 1frg s THR 120 N -0.43 4.03 0.12 1.26 2.01 -0.18 -4.81 115.64 117.65 1frg s THR 120 Ca 0.47 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1frg s THR 120 Cb -0.28 -4.89 -0.06 0.00 0.01 0.00 0.00 72.50 67.27 1frg s THR 120 CO 0.34 -1.75 0.98 -0.69 -0.69 0.00 0.00 174.62 172.82 1frg s VAL 121 N 4.77 4.39 -0.08 3.82 1.01 -1.26 -1.64 120.40 131.41 1frg s VAL 121 Ca 0.35 2.00 -0.05 0.00 0.00 0.00 0.00 61.98 64.28 1frg s VAL 121 Cb -0.07 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1frg s VAL 121 CO 0.04 0.31 0.20 -0.44 0.00 0.00 0.00 175.10 175.21 1frg s SER 122 N -0.04 -0.20 0.09 3.32 0.01 -0.50 -4.99 113.70 111.40 1frg s SER 122 Ca 0.47 0.42 0.08 0.00 1.31 0.00 0.00 55.95 58.24 1frg s SER 122 Cb -0.24 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1frg s SER 122 CO 0.31 -0.14 -0.18 -0.51 0.41 0.00 0.00 173.24 173.12 1frg s ILE 123 N 1.00 2.82 -0.07 1.44 2.07 -1.26 -1.46 121.20 125.73 1frg s ILE 123 Ca -0.07 -1.41 -0.01 0.00 -1.41 0.00 0.00 60.65 57.75 1frg s ILE 123 Cb -0.09 -2.26 0.03 0.00 0.13 0.00 0.00 42.46 40.27 1frg s ILE 123 CO -0.06 0.18 -0.01 -0.36 -1.91 0.00 0.00 174.94 172.77 1frg s PHE 124 N -1.07 0.78 0.75 3.50 0.40 0.11 -4.98 117.98 117.47 1frg s PHE 124 Ca 0.17 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 1frg s PHE 124 Cb -0.11 -0.85 -0.12 0.00 0.51 0.00 0.00 43.02 42.45 1frg s PHE 124 CO 0.08 -0.34 -0.26 -2.30 0.70 0.00 0.00 175.22 173.10 1frg n PRO 125 N 5.04 0.04 -1.62 0.24 -0.02 -1.26 -2.10 135.00 135.32 1frg n PRO 125 Ca -0.09 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1frg n PRO 125 Cb 0.50 -1.17 0.03 0.00 -0.02 0.00 0.00 33.50 32.84 1frg n PRO 125 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1frg n PRO 126 N 1.40 1.23 -2.50 0.52 -0.04 -1.24 -4.76 135.00 129.61 1frg n PRO 126 Ca 0.04 0.45 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 1frg n PRO 126 Cb 0.51 -2.13 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1frg n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1frg s SER 127 N -0.92 6.57 0.13 3.54 1.04 -1.26 -4.90 113.70 117.91 1frg s SER 127 Ca 0.68 1.44 -0.22 0.00 0.48 0.00 0.00 55.95 58.33 1frg s SER 127 Cb -0.49 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.16 1frg s SER 127 CO 0.53 -0.55 1.67 0.28 0.98 0.00 0.00 173.24 176.15 1frg h SER 128 N 0.94 -0.43 -0.84 7.02 0.02 -1.97 0.05 113.55 118.33 1frg h SER 128 Ca -0.47 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 60.73 1frg h SER 128 Cb 1.19 0.21 -0.15 0.00 0.14 0.00 0.00 62.40 63.79 1frg h SER 128 CO 0.62 -0.18 -0.25 -0.62 -1.14 0.00 0.00 176.83 175.26 1frg n GLU 129 N -5.29 -0.11 0.06 3.45 -0.58 -1.26 0.13 120.64 117.04 1frg n GLU 129 Ca -0.03 1.31 -0.12 0.00 -0.42 0.00 0.00 57.16 57.91 1frg n GLU 129 Cb 0.20 -1.95 -0.08 0.00 -0.57 0.00 0.00 31.44 29.04 1frg n GLU 129 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1frg h GLN 130 N 0.00 -0.21 0.00 3.49 4.15 -1.64 -2.19 115.11 118.71 1frg h GLN 130 Ca 0.37 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1frg h GLN 130 Cb 0.58 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1frg h GLN 130 CO -0.86 0.21 0.11 1.25 -1.93 0.00 0.00 178.83 177.61 1frg h LEU 131 N -0.78 0.00 0.06 -2.39 5.85 0.16 0.74 115.31 118.95 1frg h LEU 131 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1frg h LEU 131 Cb 0.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1frg h LEU 131 CO 0.04 0.00 -0.40 0.74 -0.34 0.00 0.00 178.44 178.48 1frg h THR 132 N 0.00 1.64 0.00 1.05 2.02 -0.05 -3.34 112.91 114.23 1frg h THR 132 Ca 0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 1frg h THR 132 Cb 0.22 3.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1frg h THR 132 CO 0.00 0.64 0.00 -1.20 0.37 0.00 0.00 175.52 175.33 1frg n SER 133 N -4.39 2.39 0.00 4.18 7.64 0.26 -4.77 113.62 118.92 1frg n SER 133 Ca -0.13 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1frg n SER 133 Cb 0.63 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1frg n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1frg n GLY 134 N 0.87 2.88 3.55 0.23 0.00 -1.19 -5.01 105.19 106.53 1frg n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1frg n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1frg s GLY 135 N -1.60 2.60 -0.14 -0.02 0.00 -1.22 -1.12 107.32 105.81 1frg s GLY 135 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 1frg s GLY 135 CO 0.00 -1.90 0.17 0.00 0.00 0.00 0.00 173.10 171.37 1frg s ALA 136 N -3.15 -0.07 -0.21 3.20 0.00 0.13 -3.29 121.76 118.36 1frg s ALA 136 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1frg s ALA 136 Cb 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1frg s ALA 136 CO 0.13 -0.92 -0.15 -1.12 0.00 0.00 0.00 175.76 173.70 1frg s SER 137 N 2.27 3.64 -0.20 0.00 0.01 -1.26 -0.15 113.70 118.02 1frg s SER 137 Ca 0.04 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 1frg s SER 137 Cb -0.14 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1frg s SER 137 CO -0.09 -0.05 0.33 -0.69 0.41 0.00 0.00 173.24 173.15 1frg s VAL 138 N 1.28 5.26 0.10 3.43 1.01 -0.66 -3.65 120.40 127.18 1frg s VAL 138 Ca 0.02 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.65 1frg s VAL 138 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1frg s VAL 138 CO -0.09 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.46 1frg s VAL 139 N 1.05 3.00 -0.14 2.92 1.01 -0.89 -0.44 120.40 126.92 1frg s VAL 139 Ca 0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1frg s VAL 139 Cb -0.14 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1frg s VAL 139 CO 0.06 0.13 0.26 0.00 0.00 0.00 0.00 175.10 175.55 1frg s PHE 141 N 2.42 3.56 -0.31 0.00 0.08 -0.54 -0.69 117.98 122.50 1frg s PHE 141 Ca 0.02 0.42 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 1frg s PHE 141 Cb -0.12 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1frg s PHE 141 CO -0.09 0.64 0.09 -0.51 -0.10 0.00 0.00 175.22 175.25 1frg s LEU 142 N -1.88 2.26 0.28 -0.37 1.43 -0.52 -1.41 118.68 118.48 1frg s LEU 142 Ca 0.27 -1.62 0.08 0.00 -1.03 0.00 0.00 54.13 51.83 1frg s LEU 142 Cb -0.13 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1frg s LEU 142 CO 0.18 -0.41 0.17 0.20 0.23 0.00 0.00 176.35 176.72 1frg s ASN 143 N 1.61 5.18 -0.99 2.29 0.02 -0.65 -1.91 114.94 120.49 1frg s ASN 143 Ca 0.09 -0.44 -0.14 0.00 -1.02 0.00 0.00 52.86 51.35 1frg s ASN 143 Cb -0.17 -1.13 0.01 0.00 0.02 0.00 0.00 41.25 39.98 1frg s ASN 143 CO -0.24 -0.12 0.69 0.59 0.02 0.00 0.00 177.10 178.04 1frg n ASN 144 N -1.16 -5.26 -4.43 -1.22 3.02 -0.50 -1.02 115.26 104.70 1frg n ASN 144 Ca -0.06 -0.93 -0.21 0.00 -0.03 0.00 0.00 54.58 53.35 1frg n ASN 144 Cb 0.59 -2.68 -0.10 0.00 -0.61 0.00 0.00 39.78 36.97 1frg n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1frg s PHE 145 N -3.25 1.95 -0.13 3.10 -0.12 -0.70 -4.58 117.98 114.24 1frg s PHE 145 Ca 0.25 -0.76 -0.18 0.00 -0.05 0.00 0.00 56.93 56.19 1frg s PHE 145 Cb -0.11 -1.16 0.04 0.00 -0.63 0.00 0.00 43.02 41.17 1frg s PHE 145 CO 0.88 0.21 0.47 -0.47 -0.05 0.00 0.00 175.22 176.26 1frg s TYR 146 N -3.08 -0.47 1.38 3.49 5.04 -0.48 -0.76 117.35 122.46 1frg s TYR 146 Ca 0.31 1.07 -0.21 0.00 -2.44 0.00 0.00 57.07 55.80 1frg s TYR 146 Cb 0.05 0.19 0.35 0.00 0.35 0.00 0.00 41.96 42.90 1frg s TYR 146 CO 0.13 -0.32 0.95 -2.14 -1.34 0.00 0.00 175.55 172.83 1frg s PRO 147 N -0.20 -2.59 0.27 4.97 0.02 -1.26 -1.37 135.00 134.84 1frg s PRO 147 Ca -0.04 0.28 0.01 0.00 0.02 0.00 0.00 61.00 61.27 1frg s PRO 147 Cb -0.03 -1.40 0.58 0.00 0.02 0.00 0.00 34.50 33.67 1frg s PRO 147 CO 0.02 -4.69 1.77 -0.22 -0.33 0.00 0.00 177.00 173.56 1frg h LYS 148 N -3.29 0.67 -6.16 5.54 3.64 -1.97 -3.42 116.57 111.58 1frg h LYS 148 Ca -0.47 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.29 1frg h LYS 148 Cb 1.34 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1frg h LYS 148 CO 0.33 0.44 1.34 -0.51 -2.27 0.00 0.00 179.45 178.78 1frg s ASP 149 N -5.44 5.85 0.04 4.20 1.11 -1.26 -4.96 116.67 116.21 1frg s ASP 149 Ca -0.12 1.83 -0.03 0.00 0.18 0.00 0.00 52.55 54.41 1frg s ASP 149 Cb 0.23 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.67 1frg s ASP 149 CO 0.79 -1.65 0.04 -0.51 1.18 0.00 0.00 175.17 175.01 1frg s ILE 150 N 6.90 0.15 -0.02 0.77 2.07 -1.26 -4.27 121.20 125.53 1frg s ILE 150 Ca 0.89 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 1frg s ILE 150 Cb -0.31 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1frg s ILE 150 CO 0.35 -0.69 -0.08 0.21 -1.91 0.00 0.00 174.94 172.82 1frg s ASN 151 N -2.21 1.00 -0.02 4.50 3.84 -0.62 -4.97 114.94 116.46 1frg s ASN 151 Ca -0.04 -0.15 0.04 0.00 0.21 0.00 0.00 52.86 52.92 1frg s ASN 151 Cb -0.00 -0.23 -0.01 0.00 -0.55 0.00 0.00 41.25 40.46 1frg s ASN 151 CO -0.05 0.06 -0.14 0.54 -2.79 0.00 0.00 177.10 174.72 1frg s VAL 152 N 0.12 1.14 -0.03 -5.21 0.11 -1.26 -0.80 120.40 114.47 1frg s VAL 152 Ca -0.02 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1frg s VAL 152 Cb -0.07 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1frg s VAL 152 CO 0.00 0.33 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.14 1frg s LYS 153 N -0.16 1.83 0.13 1.54 2.20 -0.01 -4.93 119.74 120.35 1frg s LYS 153 Ca 0.02 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1frg s LYS 153 Cb -0.07 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1frg s LYS 153 CO 0.00 0.40 0.10 -1.58 -0.36 0.00 0.00 175.35 173.91 1frg s TRP 154 N -0.34 3.12 -0.14 4.03 0.52 -1.26 -0.69 118.94 124.18 1frg s TRP 154 Ca 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 56.10 56.09 1frg s TRP 154 Cb -0.10 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.75 1frg s TRP 154 CO 0.00 0.52 0.32 0.15 0.02 0.00 0.00 176.95 177.96 1frg s LYS 155 N -2.81 0.27 -0.10 4.98 1.02 -0.90 -0.80 119.74 121.40 1frg s LYS 155 Ca 0.30 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1frg s LYS 155 Cb -0.11 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1frg s LYS 155 CO 0.22 -0.19 -0.11 0.42 -0.92 0.00 0.00 175.35 174.77 1frg s ILE 156 N 1.62 3.30 -0.82 2.17 -1.09 0.82 -2.05 121.20 125.15 1frg s ILE 156 Ca -0.07 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1frg s ILE 156 Cb -0.10 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 1frg s ILE 156 CO -0.10 0.55 0.20 0.47 -1.23 0.00 0.00 174.94 174.83 1frg n ASP 157 N 2.95 -0.90 0.00 3.58 8.00 -0.66 -0.36 116.55 129.16 1frg n ASP 157 Ca -0.18 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1frg n ASP 157 Cb 0.53 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1frg n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1frg n GLY 158 N -1.79 2.72 3.85 0.44 0.00 -1.26 -4.98 105.19 104.17 1frg n GLY 158 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1frg n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1frg s SER 159 N -0.47 6.75 0.53 1.61 0.01 0.52 -4.99 113.70 117.66 1frg s SER 159 Ca 0.00 0.96 -0.22 0.00 1.31 0.00 0.00 55.95 58.00 1frg s SER 159 Cb 0.00 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 1frg s SER 159 CO 0.00 0.14 1.37 1.21 0.41 0.00 0.00 173.24 176.37 1frg n GLU 160 N 0.88 1.80 -4.16 12.44 2.13 -1.26 -0.13 120.64 132.34 1frg n GLU 160 Ca -0.07 0.66 -0.26 0.00 0.66 0.00 0.00 57.16 58.15 1frg n GLU 160 Cb 0.52 -2.59 -0.17 0.00 0.27 0.00 0.00 31.44 29.48 1frg n GLU 160 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1frg s ARG 161 N -2.80 1.66 -0.18 5.31 3.00 0.02 -4.79 118.95 121.17 1frg s ARG 161 Ca 0.70 -0.34 -0.17 0.00 -1.00 0.00 0.00 55.73 54.92 1frg s ARG 161 Cb -0.42 -1.57 -0.13 0.00 0.00 0.00 0.00 34.95 32.83 1frg s ARG 161 CO 0.51 -0.16 0.09 1.96 0.00 0.00 0.00 175.30 177.71 1frg h GLN 162 N 7.73 0.00 -5.98 5.12 4.20 -1.96 -3.36 115.11 120.86 1frg h GLN 162 Ca -0.31 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.79 1frg h GLN 162 Cb 1.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 1frg h GLN 162 CO 0.44 0.61 -0.32 -0.80 -0.67 0.00 0.00 178.83 178.08 1frg s ASN 163 N -6.37 6.57 0.00 1.46 0.01 -1.26 -3.95 114.94 111.40 1frg s ASN 163 Ca -0.22 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1frg s ASN 163 Cb 0.04 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.56 1frg s ASN 163 CO 0.44 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.87 1frg n GLY 164 N 1.13 0.48 3.55 0.66 0.00 -1.26 -4.90 105.19 104.85 1frg n GLY 164 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1frg n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frg s VAL 165 N -2.00 5.23 -0.22 1.61 1.01 -1.25 -0.55 120.40 124.22 1frg s VAL 165 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1frg s VAL 165 Cb 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1frg s VAL 165 CO 0.00 0.01 -0.04 -0.22 0.00 0.00 0.00 175.10 174.85 1frg s LEU 166 N 1.89 2.92 0.24 3.92 0.20 -0.55 -5.00 118.68 122.30 1frg s LEU 166 Ca 0.09 -0.41 0.09 0.00 0.69 0.00 0.00 54.13 54.60 1frg s LEU 166 Cb -0.17 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1frg s LEU 166 CO 0.11 -0.03 -0.02 0.20 -0.29 0.00 0.00 176.35 176.32 1frg s ASN 167 N 1.48 4.51 -0.21 3.68 0.01 -1.26 -1.60 114.94 121.54 1frg s ASN 167 Ca 0.06 -0.61 -0.13 0.00 -0.71 0.00 0.00 52.86 51.47 1frg s ASN 167 Cb -0.14 -0.84 0.06 0.00 0.41 0.00 0.00 41.25 40.74 1frg s ASN 167 CO -0.03 0.03 0.52 -0.55 -1.51 0.00 0.00 177.10 175.56 1frg s SER 168 N -3.42 -0.66 -0.03 -1.22 0.15 -0.42 -4.98 113.70 103.11 1frg s SER 168 Ca 0.30 1.13 0.07 0.00 0.70 0.00 0.00 55.95 58.15 1frg s SER 168 Cb -0.07 1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 65.25 1frg s SER 168 CO 0.19 -0.21 -0.25 0.26 1.20 0.00 0.00 173.24 174.43 1frg s TRP 169 N 1.25 2.38 0.79 3.44 0.51 -1.26 -0.39 118.94 125.66 1frg s TRP 169 Ca -0.08 -0.44 -0.11 0.00 -2.12 0.00 0.00 56.10 53.35 1frg s TRP 169 Cb -0.06 -1.52 0.07 0.00 -0.81 0.00 0.00 33.47 31.14 1frg s TRP 169 CO -0.12 -0.03 1.09 0.99 -0.51 0.00 0.00 176.95 178.36 1frg s THR 170 N -0.58 3.23 0.75 2.01 2.01 -0.48 -4.99 115.64 117.59 1frg s THR 170 Ca 0.09 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 1frg s THR 170 Cb -0.10 -3.06 0.13 0.00 0.01 0.00 0.00 72.50 69.48 1frg s THR 170 CO -0.00 -0.52 1.03 -0.62 -0.69 0.00 0.00 174.62 173.82 1frg s ASP 171 N -3.72 4.23 0.01 3.53 -1.08 -1.26 -4.58 116.67 113.79 1frg s ASP 171 Ca 0.61 -0.25 -0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1frg s ASP 171 Cb -0.15 -0.10 -0.08 0.00 -1.46 0.00 0.00 42.92 41.13 1frg s ASP 171 CO 0.55 -1.95 1.84 -1.58 0.52 0.00 0.00 175.17 174.55 1frg s GLN 172 N -5.23 4.16 0.55 4.34 0.74 -1.26 -4.67 119.66 118.28 1frg s GLN 172 Ca 0.67 2.45 -0.21 0.00 0.05 0.00 0.00 55.36 58.32 1frg s GLN 172 Cb -0.05 -4.06 -0.05 0.00 1.10 0.00 0.00 33.01 29.95 1frg s GLN 172 CO 0.45 -0.90 1.25 0.34 -0.55 0.00 0.00 175.29 175.88 1frg s ASP 173 N 3.90 5.41 0.07 6.67 -1.08 -1.19 -4.88 116.67 125.57 1frg s ASP 173 Ca 0.82 2.51 -0.00 0.00 -0.52 0.00 0.00 52.55 55.35 1frg s ASP 173 Cb -0.39 -2.61 -0.26 0.00 -1.46 0.00 0.00 42.92 38.19 1frg s ASP 173 CO 0.37 -1.45 1.10 0.77 0.52 0.00 0.00 175.17 176.47 1frg h SER 174 N 1.33 0.29 0.21 -0.34 4.64 -1.92 0.11 113.55 117.86 1frg h SER 174 Ca -0.50 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.47 1frg h SER 174 Cb 1.29 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1frg h SER 174 CO 0.57 1.27 -0.10 0.50 -0.87 0.00 0.00 176.83 178.19 1frg h LYS 175 N 0.05 -0.27 0.00 4.77 3.64 -1.99 -3.42 116.57 119.35 1frg h LYS 175 Ca -0.13 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1frg h LYS 175 Cb 1.93 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1frg h LYS 175 CO 0.17 0.12 0.00 -0.40 -2.27 0.00 0.00 179.45 177.07 1frg n ASP 176 N -4.99 1.53 -2.31 4.20 5.68 -1.25 -5.01 116.55 114.39 1frg n ASP 176 Ca -0.08 -1.74 -0.20 0.00 -0.50 0.00 0.00 54.79 52.27 1frg n ASP 176 Cb 0.26 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.22 1frg n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1frg n SER 177 N -0.37 -5.67 -4.46 -1.12 7.64 0.38 -4.97 113.62 105.06 1frg n SER 177 Ca 0.00 0.06 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1frg n SER 177 Cb 0.29 -4.76 -0.13 0.00 -1.01 0.00 0.00 64.21 58.60 1frg n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1frg s THR 178 N -2.97 2.88 0.66 0.44 -4.23 -1.26 -4.64 115.64 106.53 1frg s THR 178 Ca 0.00 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1frg s THR 178 Cb 0.00 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1frg s THR 178 CO 0.00 0.48 0.95 -0.31 -0.54 0.00 0.00 174.62 175.21 1frg s TYR 179 N -0.81 2.95 0.13 3.99 2.02 0.06 -3.15 117.35 122.53 1frg s TYR 179 Ca 0.13 0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 57.15 1frg s TYR 179 Cb -0.11 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 1frg s TYR 179 CO 0.03 -1.23 0.17 -1.12 -1.57 0.00 0.00 175.55 171.83 1frg s SER 180 N -4.47 0.17 -0.02 2.29 0.01 -1.26 -1.41 113.70 109.02 1frg s SER 180 Ca 0.59 -0.93 -0.20 0.00 1.31 0.00 0.00 55.95 56.72 1frg s SER 180 Cb -0.11 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1frg s SER 180 CO 0.43 -0.79 0.44 0.00 0.41 0.00 0.00 173.24 173.74 1frg s MET 181 N -3.96 0.82 -0.03 12.44 0.23 -0.80 -1.38 119.30 126.62 1frg s MET 181 Ca 0.15 -0.08 0.02 0.00 -1.03 0.00 0.00 55.69 54.75 1frg s MET 181 Cb 0.05 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1frg s MET 181 CO -0.03 -0.25 -0.06 -1.54 -2.03 0.00 0.00 175.02 171.11 1frg s SER 182 N -1.38 4.69 -0.15 -1.18 1.04 0.47 -1.44 113.70 115.75 1frg s SER 182 Ca -0.12 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1frg s SER 182 Cb -0.03 -1.15 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 1frg s SER 182 CO 0.05 0.32 -0.15 -0.55 0.98 0.00 0.00 173.24 173.90 1frg s SER 183 N -1.12 3.73 -0.08 7.02 0.15 0.13 -1.30 113.70 122.23 1frg s SER 183 Ca 0.15 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1frg s SER 183 Cb -0.11 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1frg s SER 183 CO 0.05 0.10 -0.20 -0.89 1.20 0.00 0.00 173.24 173.49 1frg s THR 184 N 0.74 1.75 -0.21 6.45 2.01 -0.63 -0.83 115.64 124.93 1frg s THR 184 Ca -0.06 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1frg s THR 184 Cb -0.15 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1frg s THR 184 CO 0.01 0.49 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.12 1frg s LEU 185 N 0.31 2.66 0.01 4.42 2.96 0.42 -1.49 118.68 127.98 1frg s LEU 185 Ca -0.14 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1frg s LEU 185 Cb -0.16 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1frg s LEU 185 CO 0.06 -0.01 0.08 -0.89 -1.32 0.00 0.00 176.35 174.27 1frg s THR 186 N 1.40 4.65 0.34 3.68 2.01 0.28 -1.65 115.64 126.35 1frg s THR 186 Ca 0.05 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1frg s THR 186 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1frg s THR 186 CO -0.06 0.31 0.40 -0.76 -0.69 0.00 0.00 174.62 173.82 1frg s LEU 187 N -1.85 1.26 0.34 4.42 1.43 0.79 -4.68 118.68 120.39 1frg s LEU 187 Ca 0.24 -1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 1frg s LEU 187 Cb -0.12 1.15 -0.04 0.00 0.03 0.00 0.00 46.19 47.21 1frg s LEU 187 CO 0.15 -1.21 0.57 0.42 0.23 0.00 0.00 176.35 176.50 1frg s THR 188 N -3.20 5.08 0.24 5.49 -4.23 -1.26 -0.69 115.64 117.06 1frg s THR 188 Ca 0.34 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 1frg s THR 188 Cb 0.01 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.34 1frg s THR 188 CO 0.23 -0.53 1.59 0.50 -0.54 0.00 0.00 174.62 175.86 1frg h LYS 189 N 0.92 -0.01 0.06 3.99 3.64 -1.33 0.78 116.57 124.62 1frg h LYS 189 Ca -0.49 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1frg h LYS 189 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1frg h LYS 189 CO 0.62 -0.01 -0.12 0.22 -2.27 0.00 0.00 179.45 177.89 1frg h ASP 190 N -0.01 -0.34 -0.22 4.20 1.82 -1.94 0.49 116.42 120.43 1frg h ASP 190 Ca 0.38 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.98 1frg h ASP 190 Cb 0.60 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1frg h ASP 190 CO -0.84 -0.18 -0.11 -0.08 -1.61 0.00 0.00 179.24 176.42 1frg h GLU 191 N -0.24 0.60 -0.04 0.28 4.81 -1.40 -0.27 114.58 118.32 1frg h GLU 191 Ca 0.02 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 1frg h GLU 191 Cb 0.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1frg h GLU 191 CO -0.08 0.71 -0.67 -0.92 -0.73 0.00 0.00 179.01 177.32 1frg h TYR 192 N 0.56 0.22 0.00 0.92 3.20 -0.85 -3.20 116.97 117.82 1frg h TYR 192 Ca 0.10 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1frg h TYR 192 Cb 0.52 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1frg h TYR 192 CO 0.02 0.78 0.00 -1.91 -1.64 0.00 0.00 178.16 175.41 1frg n GLU 193 N -3.80 0.32 -0.51 1.82 4.07 0.17 -3.07 120.64 119.65 1frg n GLU 193 Ca -0.02 0.09 0.07 0.00 -0.06 0.00 0.00 57.16 57.23 1frg n GLU 193 Cb 0.66 -1.50 0.18 0.00 -0.06 0.00 0.00 31.44 30.72 1frg n GLU 193 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1frg n ARG 194 N -1.25 1.39 -3.90 5.31 1.85 -1.05 -5.01 116.66 114.00 1frg n ARG 194 Ca 0.10 -3.00 -0.10 0.00 -1.00 0.00 0.00 57.85 53.86 1frg n ARG 194 Cb 0.15 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 29.99 1frg n ARG 194 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1frg s HIS 195 N -2.91 0.16 0.31 2.89 3.76 -1.17 -5.10 115.29 113.24 1frg s HIS 195 Ca 0.35 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.84 1frg s HIS 195 Cb 0.34 -0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.87 1frg s HIS 195 CO -0.05 -0.40 0.10 0.54 -0.85 0.00 0.00 174.74 174.08 1frg s ASN 196 N -2.20 1.90 -0.21 1.40 2.20 -1.26 -4.99 114.94 111.78 1frg s ASN 196 Ca -0.04 -1.46 -0.07 0.00 -0.94 0.00 0.00 52.86 50.35 1frg s ASN 196 Cb -0.00 0.18 0.03 0.00 -2.00 0.00 0.00 41.25 39.45 1frg s ASN 196 CO -0.05 -0.75 0.13 -0.24 -2.94 0.00 0.00 177.10 173.25 1frg n SER 197 N -0.76 -4.00 -4.51 3.54 2.88 0.22 -3.53 113.62 107.45 1frg n SER 197 Ca -0.02 1.32 -0.33 0.00 -1.33 0.00 0.00 58.87 58.51 1frg n SER 197 Cb 0.66 -4.91 -0.12 0.00 -0.75 0.00 0.00 64.21 59.09 1frg n SER 197 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1frg s TYR 198 N -1.02 2.88 0.02 0.66 1.51 -0.76 -1.65 117.35 118.98 1frg s TYR 198 Ca -0.15 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1frg s TYR 198 Cb 0.01 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1frg s TYR 198 CO 0.71 0.16 -0.01 0.99 -1.11 0.00 0.00 175.55 176.29 1frg s THR 199 N -0.44 0.10 -0.05 -0.71 2.01 -0.87 -1.94 115.64 113.75 1frg s THR 199 Ca 0.06 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1frg s THR 199 Cb -0.12 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1frg s THR 199 CO 0.02 -0.47 -0.02 0.00 -0.69 0.00 0.00 174.62 173.46 1frg s GLU 201 N 1.20 1.26 0.05 0.00 2.12 0.13 -1.45 118.70 122.02 1frg s GLU 201 Ca -0.07 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1frg s GLU 201 Cb -0.14 -1.97 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 1frg s GLU 201 CO -0.02 -0.46 0.26 0.00 -0.54 0.00 0.00 175.26 174.50 1frg s ALA 202 N 1.68 3.91 -0.16 6.30 0.00 -0.05 -0.83 121.76 132.62 1frg s ALA 202 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1frg s ALA 202 Cb -0.15 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1frg s ALA 202 CO -0.07 0.74 -0.10 0.99 0.00 0.00 0.00 175.76 177.31 1frg s THR 203 N -1.46 1.39 0.03 0.00 2.01 0.02 -0.94 115.64 116.70 1frg s THR 203 Ca 0.33 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1frg s THR 203 Cb -0.13 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1frg s THR 203 CO 0.23 0.32 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.18 1frg s HIS 204 N 1.54 0.35 0.31 4.92 2.46 -1.26 -1.59 115.29 122.02 1frg s HIS 204 Ca 0.03 -0.73 0.03 0.00 0.47 0.00 0.00 55.06 54.86 1frg s HIS 204 Cb -0.14 -0.26 0.80 0.00 -0.13 0.00 0.00 32.58 32.85 1frg s HIS 204 CO -0.09 -0.28 1.57 -0.22 -2.47 0.00 0.00 174.74 173.25 1frg h LYS 205 N 3.96 0.01 0.00 2.88 3.64 -1.93 0.11 116.57 125.24 1frg h LYS 205 Ca -0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1frg h LYS 205 Cb 1.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1frg h LYS 205 CO 0.52 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.95 1frg n THR 206 N -5.48 0.00 -3.58 1.00 -2.24 -1.26 -4.69 114.28 98.02 1frg n THR 206 Ca 0.24 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.87 1frg n THR 206 Cb 0.80 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 68.30 1frg n THR 206 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1frg s SER 207 N -1.90 -0.68 -0.00 3.42 0.15 0.37 -5.01 113.70 110.05 1frg s SER 207 Ca 0.07 1.09 -0.17 0.00 0.70 0.00 0.00 55.95 57.64 1frg s SER 207 Cb 0.03 1.03 -0.34 0.00 -1.71 0.00 0.00 66.02 65.03 1frg s SER 207 CO 0.05 -0.39 0.91 0.71 1.20 0.00 0.00 173.24 175.72 1frg h THR 208 N 3.53 1.28 -2.56 6.45 1.35 -1.84 -3.39 112.91 117.73 1frg h THR 208 Ca -0.28 -2.63 -0.49 0.00 -0.55 0.00 0.00 66.41 62.47 1frg h THR 208 Cb 1.15 3.04 -0.01 0.00 -1.73 0.00 0.00 68.15 70.60 1frg h THR 208 CO 0.20 0.79 -0.33 -0.44 -0.25 0.00 0.00 175.52 175.48 1frg s SER 209 N -7.39 6.33 0.46 5.36 0.01 -1.26 -5.05 113.70 112.16 1frg s SER 209 Ca -0.11 0.28 -0.24 0.00 1.31 0.00 0.00 55.95 57.18 1frg s SER 209 Cb 0.03 -1.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.24 1frg s SER 209 CO 0.90 -0.13 1.37 -2.84 0.41 0.00 0.00 173.24 172.95 1frg s PRO 210 N -3.88 3.62 -0.53 12.44 0.02 -1.26 -4.77 135.00 140.64 1frg s PRO 210 Ca 0.37 2.28 -0.24 0.00 0.02 0.00 0.00 61.00 63.43 1frg s PRO 210 Cb -0.10 -2.57 0.04 0.00 0.02 0.00 0.00 34.50 31.90 1frg s PRO 210 CO 0.31 -0.82 0.91 0.42 -0.33 0.00 0.00 177.00 177.49 1frg s ILE 211 N -1.26 4.44 -0.18 2.83 1.01 -0.11 -4.90 121.20 123.02 1frg s ILE 211 Ca 0.63 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 1frg s ILE 211 Cb -0.41 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.51 1frg s ILE 211 CO 0.51 -1.04 0.25 -0.69 0.00 0.00 0.00 174.94 173.97 1frg s VAL 212 N 3.82 5.32 -0.05 2.92 1.01 -1.26 -0.87 120.40 131.29 1frg s VAL 212 Ca 0.30 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1frg s VAL 212 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1frg s VAL 212 CO 0.20 0.38 -0.13 -0.54 0.00 0.00 0.00 175.10 175.01 1frg s LYS 213 N 0.60 1.58 0.15 2.72 -0.14 -0.53 -4.99 119.74 119.14 1frg s LYS 213 Ca 0.14 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 1frg s LYS 213 Cb -0.13 -1.34 -0.04 0.00 -1.68 0.00 0.00 37.83 34.64 1frg s LYS 213 CO 0.03 0.08 -0.02 -1.12 -0.76 0.00 0.00 175.35 173.56 1frg s SER 214 N 0.47 1.24 0.05 2.83 0.01 -1.26 -1.19 113.70 115.86 1frg s SER 214 Ca -0.11 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 55.98 1frg s SER 214 Cb -0.14 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 1frg s SER 214 CO 0.03 -0.52 0.11 0.72 0.41 0.00 0.00 173.24 173.99 1frg s PHE 215 N -3.62 0.22 -0.20 2.43 -0.12 -0.82 -5.00 117.98 110.87 1frg s PHE 215 Ca 0.20 -0.59 -0.14 0.00 -0.05 0.00 0.00 56.93 56.35 1frg s PHE 215 Cb 0.06 -0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 1frg s PHE 215 CO 0.01 -0.42 -0.32 0.09 -0.05 0.00 0.00 175.22 174.53 1frg n ASN 216 N 0.43 1.81 0.00 1.98 3.02 -1.26 -1.83 115.26 119.40 1frg n ASN 216 Ca -0.17 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1frg n ASN 216 Cb 0.60 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1frg n ASN 216 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18