#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mer s PRO 17 N 0.00 2.31 0.18 3.49 0.04 -1.26 -4.90 135.00 134.86 3mer s PRO 17 Ca 0.00 1.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.01 3mer s PRO 17 Cb 0.00 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 3mer s PRO 17 CO 0.00 -1.62 1.50 -1.71 0.04 0.00 0.00 177.00 175.21 3mer n ASN 18 N -3.20 2.84 -0.08 6.66 2.85 -1.26 -4.89 115.26 118.17 3mer n ASN 18 Ca 0.10 1.11 -0.02 0.00 -0.11 0.00 0.00 54.58 55.66 3mer n ASN 18 Cb 0.52 -1.40 0.23 0.00 1.24 0.00 0.00 39.78 40.37 3mer n ASN 18 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3mer h ASP 19 N 5.22 0.67 -0.47 1.20 3.45 -1.99 -1.98 116.42 122.52 3mer h ASP 19 Ca -0.45 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 56.75 3mer h ASP 19 Cb 1.27 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3mer h ASP 19 CO 0.83 0.69 -0.23 0.15 -1.57 0.00 0.00 179.24 179.12 3mer h PHE 20 N 0.68 1.13 -0.75 4.55 3.04 -1.99 -1.87 116.94 121.73 3mer h PHE 20 Ca 0.15 -0.28 -0.05 0.00 3.98 0.00 0.00 57.97 61.76 3mer h PHE 20 Cb 0.32 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 3mer h PHE 20 CO 0.02 1.11 0.26 1.25 -2.02 0.00 0.00 178.31 178.93 3mer h LEU 21 N 0.83 1.07 -1.10 0.59 5.85 -1.88 -1.82 115.31 118.86 3mer h LEU 21 Ca 0.10 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3mer h LEU 21 Cb 0.81 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3mer h LEU 21 CO 0.07 0.98 -0.33 -0.37 -0.34 0.00 0.00 178.44 178.45 3mer h VAL 22 N 1.11 0.85 0.00 1.05 -1.51 -1.27 -1.76 116.25 114.72 3mer h VAL 22 Ca 0.25 -1.34 -0.04 0.00 -1.23 0.00 0.00 66.70 64.33 3mer h VAL 22 Cb 0.27 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 3mer h VAL 22 CO -0.01 0.32 -0.21 0.77 -1.23 0.00 0.00 177.57 177.21 3mer h SER 23 N 0.00 0.00 -0.09 4.19 4.64 -0.54 -3.30 113.55 118.46 3mer h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mer h SER 23 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3mer h SER 23 CO 0.04 0.21 0.00 1.33 -0.87 0.00 0.00 176.83 177.54 3mer n VAL 24 N -3.20 0.47 -0.28 0.95 0.24 -0.81 -4.65 118.33 111.05 3mer n VAL 24 Ca 0.02 -0.73 0.17 0.00 -2.04 0.00 0.00 64.34 61.76 3mer n VAL 24 Cb 0.56 0.83 0.45 0.00 -1.47 0.00 0.00 33.84 34.21 3mer n VAL 24 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mer h ALA 25 N 1.09 2.05 0.00 2.33 0.00 -1.40 0.80 119.26 124.13 3mer h ALA 25 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mer h ALA 25 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3mer h ALA 25 CO 0.00 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 178.97 3mer n ASN 26 N -4.58 0.00 0.01 0.00 3.02 -1.26 -1.98 115.26 110.46 3mer n ASN 26 Ca 0.21 0.49 0.11 0.00 -0.03 0.00 0.00 54.58 55.36 3mer n ASN 26 Cb 0.67 -0.49 0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3mer n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mer n GLN 27 N -1.49 0.08 -3.12 3.52 1.13 0.28 -4.86 117.38 112.92 3mer n GLN 27 Ca 0.02 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 3mer n GLN 27 Cb 0.07 -1.53 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 3mer n GLN 27 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3mer s ILE 28 N -3.05 4.94 0.43 5.09 1.01 -0.84 -4.84 121.20 123.93 3mer s ILE 28 Ca 0.09 0.84 -0.26 0.00 0.00 0.00 0.00 60.65 61.32 3mer s ILE 28 Cb 0.16 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3mer s ILE 28 CO 0.75 -0.15 1.38 -2.84 0.00 0.00 0.00 174.94 174.08 3mer s PRO 29 N 2.61 3.83 0.33 2.79 0.02 -1.26 -4.89 135.00 138.42 3mer s PRO 29 Ca 0.25 2.33 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 3mer s PRO 29 Cb -0.15 -2.72 -0.13 0.00 0.02 0.00 0.00 34.50 31.52 3mer s PRO 29 CO 0.12 -0.67 1.14 0.94 -0.33 0.00 0.00 177.00 178.20 3mer n GLN 30 N -0.02 1.71 -1.42 5.54 0.00 -1.26 -4.79 117.38 117.14 3mer n GLN 30 Ca 0.04 0.60 0.00 0.00 -0.00 0.00 0.00 57.00 57.64 3mer n GLN 30 Cb 0.42 -2.08 0.00 0.00 0.00 0.00 0.00 30.24 28.58 3mer n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mer n GLY 31 N 1.01 -0.02 3.71 1.69 0.00 -1.26 -4.94 105.19 105.37 3mer n GLY 31 Ca 0.07 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 3mer n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mer s LYS 32 N -2.00 4.42 -0.09 1.61 1.02 -1.26 -1.35 119.74 122.09 3mer s LYS 32 Ca 0.00 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.99 3mer s LYS 32 Cb 0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3mer s LYS 32 CO 0.00 -0.02 -0.21 0.42 -0.92 0.00 0.00 175.35 174.62 3mer s ILE 33 N 1.07 2.37 -0.22 2.17 1.09 -0.68 -0.69 121.20 126.31 3mer s ILE 33 Ca 0.39 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.98 3mer s ILE 33 Cb -0.18 -1.92 -0.01 0.00 -1.06 0.00 0.00 42.46 39.29 3mer s ILE 33 CO 0.18 0.56 -0.04 -0.22 -0.10 0.00 0.00 174.94 175.32 3mer s LEU 34 N 0.12 2.93 -0.33 2.97 2.96 0.17 -0.61 118.68 126.89 3mer s LEU 34 Ca -0.10 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 3mer s LEU 34 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3mer s LEU 34 CO 0.06 -0.01 0.22 0.00 -1.32 0.00 0.00 176.35 175.30 3mer s LEU 36 N 1.69 4.33 -1.37 0.00 1.43 -0.31 -1.22 118.68 123.23 3mer s LEU 36 Ca 0.06 1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 3mer s LEU 36 Cb -0.17 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3mer s LEU 36 CO 0.09 -0.34 0.24 0.00 0.23 0.00 0.00 176.35 176.57 3mer n ALA 37 N 4.29 -2.18 1.40 4.21 0.00 0.21 -4.58 120.51 123.85 3mer n ALA 37 Ca 0.07 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.18 3mer n ALA 37 Cb 0.50 -1.38 0.63 0.00 0.00 0.00 0.00 19.45 19.20 3mer n ALA 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3mer n GLU 38 N -4.63 0.62 0.00 0.00 -0.00 -1.05 -4.90 120.64 110.67 3mer n GLU 38 Ca -0.24 -0.18 0.00 0.00 -0.00 0.00 0.00 57.16 56.74 3mer n GLU 38 Cb 0.62 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.57 3mer n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mer n GLY 39 N 1.29 0.33 0.00 -1.84 0.00 -1.26 -3.50 105.19 100.20 3mer n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mer n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mer n GLU 40 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.27 120.64 117.74 3mer n GLU 40 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3mer n GLU 40 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3mer n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mer n GLY 41 N -0.22 0.02 0.20 0.62 0.00 -1.23 -3.41 105.19 101.18 3mer n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3mer n GLY 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mer h ARG 42 N 0.00 0.48 0.13 1.61 2.43 -1.90 -1.26 114.38 115.87 3mer h ARG 42 Ca 0.00 -0.32 -0.27 0.00 -0.81 0.00 0.00 59.98 58.57 3mer h ARG 42 Cb 0.00 0.05 0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3mer h ARG 42 CO 0.00 0.94 -1.14 -0.91 -1.51 0.00 0.00 179.97 177.34 3mer h ASN 43 N 0.36 0.77 -0.17 -3.80 2.35 -1.90 -2.23 115.58 110.96 3mer h ASN 43 Ca -0.00 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 54.88 3mer h ASN 43 Cb 1.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3mer h ASN 43 CO 0.11 1.55 0.07 0.00 -1.65 0.00 0.00 177.43 177.51 3mer h ALA 44 N 0.23 0.22 -0.20 -0.83 0.00 -1.93 -1.08 119.26 115.67 3mer h ALA 44 Ca -0.18 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3mer h ALA 44 Cb 1.85 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3mer h ALA 44 CO 0.22 -0.20 -0.29 0.00 0.00 0.00 0.00 179.25 178.98 3mer h PHE 46 N 0.34 0.60 -0.24 0.00 3.57 -1.17 -0.94 116.94 119.09 3mer h PHE 46 Ca 0.05 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3mer h PHE 46 Cb 0.69 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3mer h PHE 46 CO 0.02 0.54 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.38 3mer h LEU 47 N 0.48 0.59 -2.02 0.59 3.38 -0.92 -2.83 115.31 114.58 3mer h LEU 47 Ca 0.13 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3mer h LEU 47 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mer h LEU 47 CO -0.01 0.91 0.09 0.00 0.09 0.00 0.00 178.44 179.52 3mer h ALA 48 N 0.69 2.09 0.00 1.53 0.00 -0.88 0.27 119.26 122.95 3mer h ALA 48 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mer h ALA 48 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mer h ALA 48 CO 0.05 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3mer n SER 49 N -4.47 0.54 -0.12 0.00 3.41 -0.37 -2.37 113.62 110.24 3mer n SER 49 Ca -0.00 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3mer n SER 49 Cb 0.21 -0.73 0.24 0.00 -0.26 0.00 0.00 64.21 63.67 3mer n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mer n LEU 50 N -2.07 0.84 0.00 1.04 4.32 0.93 -4.95 117.00 117.11 3mer n LEU 50 Ca 0.03 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 3mer n LEU 50 Cb 0.27 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3mer n LEU 50 CO 0.21 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 3mer n GLY 51 N 1.44 1.17 3.92 -0.72 0.00 -1.00 -5.12 105.19 104.87 3mer n GLY 51 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3mer n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mer s TYR 52 N -2.00 3.53 -0.74 1.61 2.02 -1.21 -4.72 117.35 115.84 3mer s TYR 52 Ca 0.00 0.68 -0.09 0.00 -0.37 0.00 0.00 57.07 57.29 3mer s TYR 52 Cb 0.00 -2.21 0.19 0.00 -0.40 0.00 0.00 41.96 39.55 3mer s TYR 52 CO 0.00 -0.19 0.63 -2.00 -1.57 0.00 0.00 175.55 172.42 3mer s GLU 53 N -4.64 3.18 0.04 -0.62 2.12 -0.46 -4.45 118.70 113.87 3mer s GLU 53 Ca 0.46 -2.49 -0.18 0.00 0.36 0.00 0.00 54.97 53.12 3mer s GLU 53 Cb -0.10 -4.14 -0.06 0.00 0.26 0.00 0.00 34.13 30.08 3mer s GLU 53 CO 0.43 -1.24 0.51 0.08 -0.54 0.00 0.00 175.26 174.49 3mer s VAL 54 N 0.08 4.86 -0.29 3.70 1.01 -1.26 -1.68 120.40 126.81 3mer s VAL 54 Ca 0.17 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.25 3mer s VAL 54 Cb -0.14 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.48 3mer s VAL 54 CO -0.06 0.56 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 3mer s THR 55 N -1.05 2.33 -0.35 3.92 2.01 0.22 -3.16 115.64 119.55 3mer s THR 55 Ca 0.27 -1.81 -0.24 0.00 0.31 0.00 0.00 61.69 60.22 3mer s THR 55 Cb -0.18 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.87 3mer s THR 55 CO 0.17 -0.21 0.84 0.00 -0.69 0.00 0.00 174.62 174.73 3mer s ALA 56 N 1.07 3.44 -0.24 7.40 0.00 -0.56 -1.45 121.76 131.42 3mer s ALA 56 Ca -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 3mer s ALA 56 Cb -0.20 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3mer s ALA 56 CO -0.05 -1.48 0.04 0.08 0.00 0.00 0.00 175.76 174.35 3mer s VAL 57 N 3.21 4.09 0.10 0.00 1.01 -0.36 -2.86 120.40 125.60 3mer s VAL 57 Ca 0.34 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 3mer s VAL 57 Cb -0.13 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3mer s VAL 57 CO 0.17 0.36 0.27 -0.62 0.00 0.00 0.00 175.10 175.27 3mer s ASP 58 N 1.57 -0.01 0.05 3.32 2.15 -1.13 0.64 116.67 123.24 3mer s ASP 58 Ca 0.06 -0.52 0.15 0.00 0.43 0.00 0.00 52.55 52.68 3mer s ASP 58 Cb -0.15 0.39 -0.15 0.00 -0.30 0.00 0.00 42.92 42.71 3mer s ASP 58 CO 0.02 -0.77 0.82 0.06 -0.17 0.00 0.00 175.17 175.13 3mer h GLN 59 N 2.64 0.00 -5.77 4.34 -0.00 -1.84 -3.24 115.11 111.23 3mer h GLN 59 Ca -0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 57.71 3mer h GLN 59 Cb 1.22 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.59 3mer h GLN 59 CO 0.53 0.36 0.39 -1.54 -0.00 0.00 0.00 178.83 178.56 3mer s SER 60 N -5.90 6.64 0.62 0.06 1.04 -1.26 -4.78 113.70 110.12 3mer s SER 60 Ca -0.03 0.61 0.40 0.00 0.48 0.00 0.00 55.95 57.41 3mer s SER 60 Cb 0.08 -2.40 2.02 0.00 0.10 0.00 0.00 66.02 65.82 3mer s SER 60 CO 0.81 -0.63 2.23 0.28 0.98 0.00 0.00 173.24 176.91 3mer h SER 61 N 8.18 0.00 0.45 7.02 0.02 -1.94 -0.36 113.55 126.92 3mer h SER 61 Ca -0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.54 3mer h SER 61 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3mer h SER 61 CO 0.89 0.01 -0.71 1.62 -1.14 0.00 0.00 176.83 177.49 3mer h VAL 62 N 0.00 1.43 0.05 2.27 3.04 -1.99 -1.82 116.25 119.24 3mer h VAL 62 Ca -0.00 -2.23 -0.07 0.00 -1.01 0.00 0.00 66.70 63.39 3mer h VAL 62 Cb 0.19 2.18 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 3mer h VAL 62 CO 0.00 0.66 -0.31 1.23 -1.01 0.00 0.00 177.57 178.14 3mer h GLY 63 N 1.62 0.14 1.57 3.17 0.00 -1.42 -2.86 103.07 105.29 3mer h GLY 63 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3mer h GLY 63 CO 0.11 0.30 0.24 1.41 0.00 0.00 0.00 176.54 178.60 3mer h LEU 64 N -0.75 0.36 -0.63 3.11 3.38 -1.37 0.14 115.31 119.56 3mer h LEU 64 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3mer h LEU 64 Cb 1.24 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3mer h LEU 64 CO 0.06 0.25 -0.50 0.00 0.09 0.00 0.00 178.44 178.34 3mer h ALA 65 N 1.78 0.81 0.00 1.53 0.00 -1.40 -2.44 119.26 119.55 3mer h ALA 65 Ca 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3mer h ALA 65 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mer h ALA 65 CO -0.03 0.67 -0.14 -0.22 0.00 0.00 0.00 179.25 179.53 3mer h LYS 66 N 0.38 0.00 -0.25 0.00 1.63 -0.92 -2.94 116.57 114.46 3mer h LYS 66 Ca 0.02 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.65 3mer h LYS 66 Cb 1.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 3mer h LYS 66 CO 0.09 0.14 -0.51 0.00 -3.45 0.00 0.00 179.45 175.72 3mer h ALA 67 N 1.86 0.41 -0.37 5.00 0.00 -0.47 -2.03 119.26 123.66 3mer h ALA 67 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3mer h ALA 67 Cb 1.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mer h ALA 67 CO 0.02 0.59 0.12 0.87 0.00 0.00 0.00 179.25 180.85 3mer h LYS 68 N 0.55 0.57 -0.91 0.00 1.79 -1.40 -1.84 116.57 115.32 3mer h LYS 68 Ca 0.01 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3mer h LYS 68 Cb 1.12 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.64 3mer h LYS 68 CO 0.11 0.58 0.52 1.96 -1.08 0.00 0.00 179.45 181.54 3mer h GLN 69 N 0.45 1.26 -0.50 3.15 1.08 -1.47 -0.19 115.11 118.88 3mer h GLN 69 Ca 0.12 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3mer h GLN 69 Cb 0.24 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3mer h GLN 69 CO -0.01 0.90 -0.01 1.25 -0.95 0.00 0.00 178.83 180.02 3mer h LEU 70 N 1.27 0.81 -0.34 1.46 5.85 -1.19 -1.98 115.31 121.18 3mer h LEU 70 Ca 0.32 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mer h LEU 70 Cb -0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3mer h LEU 70 CO -0.06 0.88 0.14 0.00 -0.34 0.00 0.00 178.44 179.07 3mer h ALA 71 N 1.21 0.44 -0.30 1.25 0.00 -0.55 0.17 119.26 121.48 3mer h ALA 71 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mer h ALA 71 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mer h ALA 71 CO 0.02 0.03 0.20 1.96 0.00 0.00 0.00 179.25 181.46 3mer h GLN 72 N 0.41 0.35 0.18 0.00 4.20 -0.73 0.53 115.11 120.04 3mer h GLN 72 Ca 0.11 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.49 3mer h GLN 72 Cb 0.17 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.88 3mer h GLN 72 CO -0.01 0.23 -1.50 0.93 -0.67 0.00 0.00 178.83 177.81 3mer h GLU 73 N 0.36 0.37 0.00 1.46 5.08 -0.94 -3.28 114.58 117.63 3mer h GLU 73 Ca 0.11 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3mer h GLU 73 Cb 0.02 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3mer h GLU 73 CO -0.03 1.28 0.00 1.17 -1.00 0.00 0.00 179.01 180.43 3mer n LYS 74 N -3.58 0.18 -2.54 2.33 4.81 0.57 -4.93 118.16 115.01 3mer n LYS 74 Ca -0.16 0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.22 3mer n LYS 74 Cb 1.07 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.63 3mer n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mer n GLY 75 N 1.37 0.42 3.20 3.14 0.00 0.07 -5.05 105.19 108.34 3mer n GLY 75 Ca 0.10 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3mer n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mer s VAL 76 N -2.79 2.20 -0.26 1.61 -7.23 -0.56 -5.00 120.40 108.38 3mer s VAL 76 Ca 0.10 -0.94 -0.00 0.00 -1.81 0.00 0.00 61.98 59.33 3mer s VAL 76 Cb -0.04 -1.89 0.21 0.00 0.56 0.00 0.00 36.38 35.22 3mer s VAL 76 CO 0.12 0.54 1.86 1.17 -0.31 0.00 0.00 175.10 178.49 3mer n LYS 77 N 4.00 1.66 -3.74 4.82 4.81 -1.26 -4.39 118.16 124.06 3mer n LYS 77 Ca -0.20 -1.35 -0.28 0.00 -0.87 0.00 0.00 58.31 55.62 3mer n LYS 77 Cb 0.52 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.87 3mer n LYS 77 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3mer s ILE 78 N -1.87 0.58 -0.23 3.15 -1.09 -1.26 -4.94 121.20 115.53 3mer s ILE 78 Ca 0.26 -0.61 0.05 0.00 -2.23 0.00 0.00 60.65 58.12 3mer s ILE 78 Cb 0.21 -1.08 0.18 0.00 -1.58 0.00 0.00 42.46 40.19 3mer s ILE 78 CO 0.01 -0.22 1.05 0.35 -1.23 0.00 0.00 174.94 174.90 3mer n THR 79 N 5.03 0.00 -1.55 2.92 -2.24 -1.25 -4.72 114.28 112.48 3mer n THR 79 Ca -0.09 -0.66 -0.38 0.00 -2.27 0.00 0.00 64.05 60.65 3mer n THR 79 Cb 0.47 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 3mer n THR 79 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3mer n THR 80 N -0.63 -0.03 -1.11 4.28 -1.04 -1.19 -4.70 114.28 109.86 3mer n THR 80 Ca -0.13 -0.68 -0.30 0.00 -2.04 0.00 0.00 64.05 60.90 3mer n THR 80 Cb 0.69 -2.53 0.23 0.00 -1.82 0.00 0.00 70.33 66.90 3mer n THR 80 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3mer s VAL 81 N 11.43 1.64 0.00 12.58 -7.23 -1.25 -1.50 120.40 136.07 3mer s VAL 81 Ca 1.02 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 3mer s VAL 81 Cb -0.32 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3mer s VAL 81 CO 0.30 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.76 3mer n GLN 82 N -4.70 0.00 0.00 4.82 -0.06 -1.14 -4.83 117.38 111.48 3mer n GLN 82 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 3mer n GLN 82 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 3mer n GLN 82 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3mer n SER 83 N 0.00 0.00 -4.50 1.69 7.64 -1.22 -4.60 113.62 112.63 3mer n SER 83 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3mer n SER 83 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3mer n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3mer s ASN 84 N 1.00 3.94 -0.11 6.43 2.20 -1.26 -2.79 114.94 124.35 3mer s ASN 84 Ca 0.00 -0.25 0.20 0.00 -0.94 0.00 0.00 52.86 51.87 3mer s ASN 84 Cb 0.00 -0.00 -0.29 0.00 -2.00 0.00 0.00 41.25 38.96 3mer s ASN 84 CO 0.00 -2.15 0.30 0.18 -2.94 0.00 0.00 177.10 172.49 3mer n LEU 85 N -3.11 0.04 -0.10 3.54 4.32 -1.26 -4.50 117.00 115.92 3mer n LEU 85 Ca 0.16 0.02 -0.03 0.00 -0.02 0.00 0.00 56.01 56.14 3mer n LEU 85 Cb 0.60 0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 42.62 3mer n LEU 85 CO 0.43 0.24 0.49 0.00 -1.22 0.00 0.00 177.39 177.33 3mer n ALA 86 N -2.50 -0.15 -2.32 -1.18 0.00 -1.26 -1.82 120.51 111.29 3mer n ALA 86 Ca -0.18 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3mer n ALA 86 Cb 0.86 0.34 0.02 0.00 0.00 0.00 0.00 19.45 20.68 3mer n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mer n ASP 87 N -3.52 6.85 -4.48 0.00 4.64 -1.26 -4.98 116.55 113.80 3mer n ASP 87 Ca 0.00 -3.76 -0.33 0.00 -1.38 0.00 0.00 54.79 49.32 3mer n ASP 87 Cb 0.06 -0.98 -0.13 0.00 -1.04 0.00 0.00 41.12 39.03 3mer n ASP 87 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3mer s PHE 88 N -4.04 2.77 0.01 -0.67 5.36 -0.75 -5.05 117.98 115.60 3mer s PHE 88 Ca 0.47 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 3mer s PHE 88 Cb 0.34 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 3mer s PHE 88 CO -0.27 0.16 -0.05 0.16 -1.46 0.00 0.00 175.22 173.75 3mer s ASP 89 N -0.58 0.59 -0.04 6.13 -4.77 -1.26 -4.98 116.67 111.76 3mer s ASP 89 Ca 0.08 -0.27 0.04 0.00 -3.30 0.00 0.00 52.55 49.11 3mer s ASP 89 Cb -0.11 -0.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.68 3mer s ASP 89 CO 0.01 -0.06 -0.15 0.27 0.70 0.00 0.00 175.17 175.94 3mer s ILE 90 N -0.63 3.01 0.28 2.11 -0.00 -1.26 -5.09 121.20 119.62 3mer s ILE 90 Ca -0.04 -0.77 -0.30 0.00 -0.00 0.00 0.00 60.65 59.54 3mer s ILE 90 Cb -0.05 -2.18 -0.11 0.00 -0.00 0.00 0.00 42.46 40.12 3mer s ILE 90 CO -0.00 0.57 1.56 0.68 -0.00 0.00 0.00 174.94 177.75 3mer s VAL 91 N -0.74 2.18 0.57 8.37 -7.23 -1.26 -4.67 120.40 117.62 3mer s VAL 91 Ca 0.12 0.16 -0.20 0.00 -1.81 0.00 0.00 61.98 60.24 3mer s VAL 91 Cb -0.11 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 3mer s VAL 91 CO 0.01 0.03 1.29 0.00 -0.31 0.00 0.00 175.10 176.11 3mer s ALA 92 N -0.01 2.69 -1.22 1.32 0.00 -1.26 -3.66 121.76 119.62 3mer s ALA 92 Ca 0.62 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 53.46 3mer s ALA 92 Cb -0.47 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.17 3mer s ALA 92 CO 0.47 -1.29 0.68 -3.47 0.00 0.00 0.00 175.76 172.15 3mer n ASP 93 N -1.27 -4.14 0.00 0.00 2.03 0.36 -4.86 116.55 108.68 3mer n ASP 93 Ca 0.12 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.16 3mer n ASP 93 Cb 0.47 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 3mer n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mer n ALA 94 N -4.94 0.37 -2.64 -1.67 0.00 -0.34 -4.76 120.51 106.53 3mer n ALA 94 Ca -0.11 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3mer n ALA 94 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 3mer n ALA 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mer s TRP 95 N -0.14 2.44 -0.52 0.00 0.52 -0.59 -4.65 118.94 116.00 3mer s TRP 95 Ca 0.00 -0.63 0.24 0.00 0.02 0.00 0.00 56.10 55.72 3mer s TRP 95 Cb 0.00 -1.59 0.30 0.00 -1.15 0.00 0.00 33.47 31.04 3mer s TRP 95 CO 0.00 -0.16 1.33 0.93 0.02 0.00 0.00 176.95 179.07 3mer h GLU 96 N 5.92 0.00 -1.89 4.98 4.39 -1.22 0.53 114.58 127.29 3mer h GLU 96 Ca -0.35 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 3mer h GLU 96 Cb 1.16 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 3mer h GLU 96 CO 0.47 0.00 0.24 0.20 -1.16 0.00 0.00 179.01 178.77 3mer s GLY 97 N -3.90 -0.46 -0.13 -3.84 0.00 -1.11 -0.78 107.32 97.10 3mer s GLY 97 Ca 0.05 1.93 -0.03 0.00 0.00 0.00 0.00 44.72 46.67 3mer s GLY 97 CO 0.72 1.46 0.04 -0.42 0.00 0.00 0.00 173.10 174.90 3mer s ILE 98 N -0.26 0.29 -0.13 0.90 1.01 -0.61 -0.66 121.20 121.74 3mer s ILE 98 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 3mer s ILE 98 Cb -0.03 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3mer s ILE 98 CO 0.03 -0.03 0.02 0.68 0.00 0.00 0.00 174.94 175.63 3mer s VAL 99 N 1.98 4.44 -0.38 2.92 -7.23 0.09 -2.06 120.40 120.16 3mer s VAL 99 Ca 0.02 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 3mer s VAL 99 Cb -0.15 -2.93 0.12 0.00 0.56 0.00 0.00 36.38 33.98 3mer s VAL 99 CO -0.07 0.54 0.16 -0.55 -0.31 0.00 0.00 175.10 174.87 3mer s SER 100 N -0.25 4.05 -0.35 4.85 0.15 0.25 -1.16 113.70 121.25 3mer s SER 100 Ca 0.06 -2.24 -0.09 0.00 0.70 0.00 0.00 55.95 54.39 3mer s SER 100 Cb -0.12 -1.14 0.03 0.00 -1.71 0.00 0.00 66.02 63.07 3mer s SER 100 CO 0.02 -0.34 0.15 -0.63 1.20 0.00 0.00 173.24 173.65 3mer s ILE 101 N 0.83 4.25 -1.49 6.45 1.01 -1.26 -1.55 121.20 129.43 3mer s ILE 101 Ca 0.14 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3mer s ILE 101 Cb -0.21 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 38.98 3mer s ILE 101 CO -0.10 -0.15 0.81 0.49 0.00 0.00 0.00 174.94 175.99 3mer n PHE 102 N 4.92 -2.03 -3.51 3.97 3.72 0.33 -4.91 117.46 119.94 3mer n PHE 102 Ca -0.13 0.85 -0.42 0.00 -0.05 0.00 0.00 57.45 57.71 3mer n PHE 102 Cb 0.46 -3.89 -0.05 0.00 -0.94 0.00 0.00 39.48 35.05 3mer n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mer s HIS 104 N -0.09 3.56 0.05 0.00 3.76 -1.26 -5.08 115.29 116.23 3mer s HIS 104 Ca 0.19 0.89 0.01 0.00 -0.15 0.00 0.00 55.06 55.99 3mer s HIS 104 Cb -0.14 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 3mer s HIS 104 CO -0.07 0.28 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.54 3mer s LEU 105 N 0.23 2.39 0.70 0.89 1.43 -1.26 -5.08 118.68 117.98 3mer s LEU 105 Ca 0.25 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 3mer s LEU 105 Cb -0.15 0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.12 3mer s LEU 105 CO 0.10 -0.41 1.13 -2.16 0.23 0.00 0.00 176.35 175.24 3mer s PRO 106 N -2.86 2.49 0.26 1.29 0.04 -1.26 -4.34 135.00 130.62 3mer s PRO 106 Ca -0.00 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 3mer s PRO 106 Cb -0.01 -1.91 0.54 0.00 0.04 0.00 0.00 34.50 33.17 3mer s PRO 106 CO -0.04 -1.50 1.70 0.77 0.04 0.00 0.00 177.00 177.96 3mer h SER 107 N -0.30 0.17 -0.57 6.66 0.02 -1.95 -0.10 113.55 117.47 3mer h SER 107 Ca -0.46 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3mer h SER 107 Cb 1.26 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 3mer h SER 107 CO 0.52 0.01 0.38 -1.28 -1.14 0.00 0.00 176.83 175.32 3mer h SER 108 N 0.35 0.42 0.59 3.07 0.87 -1.92 -0.65 113.55 116.29 3mer h SER 108 Ca 0.46 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.74 3mer h SER 108 Cb 0.79 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3mer h SER 108 CO -0.49 0.27 -1.40 0.25 -0.53 0.00 0.00 176.83 174.92 3mer h LEU 109 N 0.48 0.27 -0.82 2.23 6.46 -1.40 -3.24 115.31 119.29 3mer h LEU 109 Ca 0.26 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.54 3mer h LEU 109 Cb 0.39 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3mer h LEU 109 CO -0.07 1.29 -0.36 0.03 -0.62 0.00 0.00 178.44 178.71 3mer h ARG 110 N 0.05 0.45 0.00 1.25 3.08 -0.72 0.38 114.38 118.86 3mer h ARG 110 Ca -0.19 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 3mer h ARG 110 Cb 1.96 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 3mer h ARG 110 CO 0.15 0.75 -0.02 1.96 -1.07 0.00 0.00 179.97 181.74 3mer h GLN 111 N 0.38 0.00 0.07 0.04 4.20 -1.21 -1.34 115.11 117.25 3mer h GLN 111 Ca 0.04 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.48 3mer h GLN 111 Cb 0.81 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3mer h GLN 111 CO 0.07 0.02 -1.44 0.37 -0.67 0.00 0.00 178.83 177.18 3mer h GLN 112 N 0.00 0.14 0.50 1.46 5.75 -1.44 -3.40 115.11 118.13 3mer h GLN 112 Ca -0.00 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 3mer h GLN 112 Cb 0.03 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3mer h GLN 112 CO 0.00 1.12 -0.24 1.25 -2.65 0.00 0.00 178.83 178.31 3mer h LEU 113 N -0.51 -0.57 -0.99 -2.39 5.85 -0.79 -3.36 115.31 112.55 3mer h LEU 113 Ca -0.34 0.02 0.34 0.00 0.84 0.00 0.00 57.88 58.74 3mer h LEU 113 Cb 1.62 0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.64 3mer h LEU 113 CO -0.04 -0.20 0.50 1.88 -0.34 0.00 0.00 178.44 180.24 3mer h TYR 114 N -1.08 0.80 -0.18 1.25 -1.99 -1.48 0.29 116.97 114.58 3mer h TYR 114 Ca -0.07 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 3mer h TYR 114 Cb 0.51 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 3mer h TYR 114 CO 0.01 -0.27 -0.01 -1.35 -0.00 0.00 0.00 178.16 176.54 3mer h PRO 115 N 0.21 0.26 0.00 4.88 0.11 -1.77 0.22 132.00 135.92 3mer h PRO 115 Ca 0.74 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.67 3mer h PRO 115 Cb 1.74 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.79 3mer h PRO 115 CO -0.67 0.30 -0.65 0.87 -0.21 0.00 0.00 178.00 177.65 3mer h LYS 116 N 0.26 0.00 -0.01 1.05 1.57 -0.61 -2.52 116.57 116.31 3mer h LYS 116 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3mer h LYS 116 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3mer h LYS 116 CO 0.01 0.65 -0.02 0.28 -0.57 0.00 0.00 179.45 179.80 3mer h VAL 117 N 0.00 1.44 -0.37 0.50 2.07 -0.15 0.23 116.25 119.97 3mer h VAL 117 Ca -0.01 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.23 3mer h VAL 117 Cb 1.49 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.54 3mer h VAL 117 CO 0.08 0.35 0.08 0.22 0.02 0.00 0.00 177.57 178.32 3mer h TYR 118 N -0.53 0.13 0.00 1.57 3.20 -0.63 -2.18 116.97 118.54 3mer h TYR 118 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3mer h TYR 118 Cb 0.58 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3mer h TYR 118 CO 0.12 0.02 -0.41 1.96 -1.64 0.00 0.00 178.16 178.21 3mer h GLN 119 N 0.20 0.00 0.00 1.82 4.20 -1.44 -3.03 115.11 116.85 3mer h GLN 119 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3mer h GLN 119 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mer h GLN 119 CO -0.23 0.41 -0.08 0.78 -0.67 0.00 0.00 178.83 179.05 3mer h GLY 120 N 1.57 0.00 -4.31 3.46 0.00 0.10 0.10 103.07 103.99 3mer h GLY 120 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 3mer h GLY 120 CO 0.05 0.00 0.38 -2.27 0.00 0.00 0.00 176.54 174.70 3mer s LEU 121 N -6.40 4.41 0.59 3.11 2.96 -1.05 -1.19 118.68 121.11 3mer s LEU 121 Ca 0.01 1.72 -0.14 0.00 -0.22 0.00 0.00 54.13 55.50 3mer s LEU 121 Cb 0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 3mer s LEU 121 CO 0.58 -0.21 1.03 -0.54 -1.32 0.00 0.00 176.35 175.89 3mer s LYS 122 N 0.68 3.48 0.21 1.98 1.02 0.18 -4.32 119.74 122.97 3mer s LYS 122 Ca 0.51 1.00 -0.32 0.00 0.02 0.00 0.00 55.97 57.17 3mer s LYS 122 Cb -0.22 -2.06 -0.13 0.00 -0.52 0.00 0.00 37.83 34.89 3mer s LYS 122 CO 0.29 -0.66 1.50 -2.30 -0.92 0.00 0.00 175.35 173.26 3mer n PRO 123 N -2.24 2.17 -0.04 -1.68 -0.02 -1.26 -0.05 135.00 131.88 3mer n PRO 123 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3mer n PRO 123 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3mer n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mer n GLY 124 N 2.70 1.61 3.79 -1.23 0.00 0.87 -4.93 105.19 107.99 3mer n GLY 124 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3mer n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mer s GLY 125 N -1.97 1.63 0.17 -0.02 0.00 0.93 -4.71 107.32 103.36 3mer s GLY 125 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.64 3mer s GLY 125 CO 0.00 0.27 -0.16 -1.34 0.00 0.00 0.00 173.10 171.87 3mer s VAL 126 N -3.11 1.69 -0.15 1.40 -7.23 0.04 -1.28 120.40 111.76 3mer s VAL 126 Ca 0.61 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3mer s VAL 126 Cb -0.15 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.93 3mer s VAL 126 CO 0.55 -0.46 -0.17 0.12 -0.31 0.00 0.00 175.10 174.82 3mer s PHE 127 N -2.48 2.40 -0.07 2.82 2.19 0.99 -1.57 117.98 122.26 3mer s PHE 127 Ca 0.17 -1.32 0.04 0.00 0.33 0.00 0.00 56.93 56.16 3mer s PHE 127 Cb -0.03 -1.70 -0.02 0.00 -1.31 0.00 0.00 43.02 39.96 3mer s PHE 127 CO 0.06 -0.67 -0.19 -1.50 1.83 0.00 0.00 175.22 174.75 3mer s ILE 128 N 1.23 2.55 0.02 3.12 2.07 -0.87 -0.69 121.20 128.62 3mer s ILE 128 Ca 0.01 -0.88 0.01 0.00 -1.41 0.00 0.00 60.65 58.38 3mer s ILE 128 Cb -0.14 -1.98 -0.02 0.00 0.13 0.00 0.00 42.46 40.45 3mer s ILE 128 CO -0.08 0.56 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.24 3mer s LEU 129 N -0.18 2.17 -0.17 8.50 0.20 0.09 -0.58 118.68 128.71 3mer s LEU 129 Ca -0.02 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.35 3mer s LEU 129 Cb -0.14 -0.12 0.07 0.00 -0.43 0.00 0.00 46.19 45.57 3mer s LEU 129 CO 0.03 -0.14 0.39 -0.70 -0.29 0.00 0.00 176.35 175.65 3mer s GLU 130 N -1.03 0.35 0.21 1.98 -6.30 -0.59 -1.04 118.70 112.27 3mer s GLU 130 Ca -0.07 0.84 -0.22 0.00 -2.50 0.00 0.00 54.97 53.02 3mer s GLU 130 Cb -0.07 0.06 0.07 0.00 0.00 0.00 0.00 34.13 34.20 3mer s GLU 130 CO -0.00 -0.19 0.99 0.20 0.02 0.00 0.00 175.26 176.28 3mer s GLY 131 N 1.78 0.11 0.28 -1.50 0.00 -0.97 0.12 107.32 107.14 3mer s GLY 131 Ca -0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 3mer s GLY 131 CO -0.12 1.75 1.04 -1.36 0.00 0.00 0.00 173.10 174.41 3mer s PHE 132 N -2.32 3.67 0.60 1.90 0.08 -1.26 -0.58 117.98 120.06 3mer s PHE 132 Ca 0.20 1.76 -0.06 0.00 0.12 0.00 0.00 56.93 58.95 3mer s PHE 132 Cb -0.03 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 3mer s PHE 132 CO 0.06 -0.23 0.92 0.00 -0.10 0.00 0.00 175.22 175.86 3mer s ALA 133 N -1.24 3.27 0.39 5.36 0.00 0.63 -4.69 121.76 125.48 3mer s ALA 133 Ca 0.45 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.83 3mer s ALA 133 Cb -0.29 -2.64 0.86 0.00 0.00 0.00 0.00 23.12 21.06 3mer s ALA 133 CO 0.36 -0.84 1.97 -1.00 0.00 0.00 0.00 175.76 176.25 3mer h PRO 134 N -0.22 0.59 0.00 0.00 0.13 -1.80 -1.08 132.00 129.61 3mer h PRO 134 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3mer h PRO 134 Cb 1.26 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mer h PRO 134 CO 0.61 0.39 0.00 -0.85 -0.23 0.00 0.00 178.00 177.92 3mer n GLU 135 N -4.48 0.06 0.32 0.86 0.00 -1.26 -2.30 120.64 113.84 3mer n GLU 135 Ca 0.10 0.28 0.21 0.00 0.00 0.00 0.00 57.16 57.75 3mer n GLU 135 Cb 0.29 -1.50 1.06 0.00 0.00 0.00 0.00 31.44 31.29 3mer n GLU 135 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3mer h GLN 136 N 0.00 0.00 0.00 3.44 5.75 -1.43 -1.33 115.11 121.54 3mer h GLN 136 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3mer h GLN 136 Cb 0.10 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3mer h GLN 136 CO 0.00 0.01 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.09 3mer h LEU 137 N 0.00 0.00 0.00 -2.39 3.38 -1.68 0.29 115.31 114.91 3mer h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mer h LEU 137 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mer h LEU 137 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3mer n GLN 138 N -3.43 0.03 -3.95 1.13 6.02 -0.50 -4.83 117.38 111.86 3mer n GLN 138 Ca -0.02 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 3mer n GLN 138 Cb 0.13 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 3mer n GLN 138 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mer s TYR 139 N -2.96 2.85 -0.20 1.08 2.02 0.09 -5.03 117.35 115.19 3mer s TYR 139 Ca 0.14 -0.31 0.14 0.00 -0.37 0.00 0.00 57.07 56.67 3mer s TYR 139 Cb 0.18 -1.69 0.43 0.00 -0.40 0.00 0.00 41.96 40.48 3mer s TYR 139 CO 0.49 0.28 1.32 0.09 -1.57 0.00 0.00 175.55 176.15 3mer n ASN 140 N -1.27 2.64 -1.11 2.29 3.02 -1.26 -4.68 115.26 114.89 3mer n ASN 140 Ca -0.03 -3.42 0.07 0.00 -0.03 0.00 0.00 54.58 51.17 3mer n ASN 140 Cb 0.60 -0.53 0.25 0.00 -0.61 0.00 0.00 39.78 39.48 3mer n ASN 140 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mer n THR 141 N -1.06 1.07 0.00 3.41 -2.24 -1.26 -5.04 114.28 109.15 3mer n THR 141 Ca 0.23 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3mer n THR 141 Cb 0.82 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3mer n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mer n GLY 142 N 1.05 1.15 0.00 3.38 0.00 -1.26 -5.10 105.19 104.41 3mer n GLY 142 Ca 0.18 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3mer n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mer n GLY 143 N -1.04 0.67 3.79 -0.02 0.00 -1.26 -4.93 105.19 102.41 3mer n GLY 143 Ca 0.00 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3mer n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mer s PRO 144 N -2.26 2.98 0.01 1.61 0.04 -1.26 -4.98 135.00 131.14 3mer s PRO 144 Ca 0.00 1.19 0.14 0.00 0.04 0.00 0.00 61.00 62.37 3mer s PRO 144 Cb 0.00 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 3mer s PRO 144 CO 0.00 -1.08 0.75 1.57 0.04 0.00 0.00 177.00 178.28 3mer h LYS 145 N -0.11 0.00 -6.16 4.56 2.10 -2.01 -3.46 116.57 111.49 3mer h LYS 145 Ca -0.46 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 3mer h LYS 145 Cb 1.22 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 3mer h LYS 145 CO 0.56 0.40 0.92 0.34 -2.00 0.00 0.00 179.45 179.67 3mer s ASP 146 N -5.96 6.92 0.56 7.07 2.15 -1.26 -4.89 116.67 121.26 3mer s ASP 146 Ca -0.04 1.73 0.38 0.00 0.43 0.00 0.00 52.55 55.05 3mer s ASP 146 Cb 0.08 -2.54 2.04 0.00 -0.30 0.00 0.00 42.92 42.20 3mer s ASP 146 CO 0.82 -0.78 2.15 0.25 -0.17 0.00 0.00 175.17 177.44 3mer h LEU 147 N 9.79 0.00 -1.78 -1.34 5.85 -1.92 -1.79 115.31 124.12 3mer h LEU 147 Ca -0.27 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3mer h LEU 147 Cb 1.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3mer h LEU 147 CO 0.97 0.00 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.20 3mer h ASP 148 N 0.00 0.00 -0.02 1.25 3.58 -1.96 -1.35 116.42 117.92 3mer h ASP 148 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3mer h ASP 148 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3mer h ASP 148 CO 0.00 0.09 -0.05 0.18 -2.88 0.00 0.00 179.24 176.57 3mer n LEU 149 N -3.35 2.67 -3.00 2.28 4.32 -0.67 -3.16 117.00 116.09 3mer n LEU 149 Ca -0.01 -0.90 -0.27 0.00 -0.02 0.00 0.00 56.01 54.81 3mer n LEU 149 Cb 0.27 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.03 3mer n LEU 149 CO 0.28 0.45 0.16 0.18 -1.22 0.00 0.00 177.39 177.24 3mer n LEU 150 N 1.02 4.45 -4.77 2.23 4.77 -0.51 -4.50 117.00 119.69 3mer n LEU 150 Ca 0.14 -5.66 -0.35 0.00 -0.03 0.00 0.00 56.01 50.11 3mer n LEU 150 Cb 0.55 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3mer n LEU 150 CO 0.17 2.32 0.78 -2.16 -1.33 0.00 0.00 177.39 177.17 3mer s PRO 151 N -3.38 3.22 0.89 3.23 0.04 -1.26 -3.73 135.00 134.02 3mer s PRO 151 Ca 0.48 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 3mer s PRO 151 Cb 0.26 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.94 3mer s PRO 151 CO -0.13 -0.95 1.09 0.15 0.04 0.00 0.00 177.00 177.21 3mer s LYS 152 N -3.44 1.28 0.32 4.56 1.02 -1.26 -4.55 119.74 117.67 3mer s LYS 152 Ca 0.72 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.77 3mer s LYS 152 Cb -0.24 -1.80 0.61 0.00 -0.52 0.00 0.00 37.83 35.89 3mer s LYS 152 CO 0.30 -2.28 1.91 1.25 -0.92 0.00 0.00 175.35 175.61 3mer h LEU 153 N -1.59 0.83 -0.70 3.17 6.46 -1.96 -1.84 115.31 119.68 3mer h LEU 153 Ca -0.48 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.16 3mer h LEU 153 Cb 1.27 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3mer h LEU 153 CO 0.51 0.52 -0.64 -0.33 -0.62 0.00 0.00 178.44 177.88 3mer h GLU 154 N 0.93 0.00 -0.33 1.25 5.08 -1.99 -2.37 114.58 117.15 3mer h GLU 154 Ca 0.38 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.58 3mer h GLU 154 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mer h GLU 154 CO -0.15 0.64 -0.45 1.15 -1.00 0.00 0.00 179.01 179.20 3mer h THR 155 N 0.00 1.28 -0.34 1.13 2.02 -1.71 -1.99 112.91 113.30 3mer h THR 155 Ca -0.01 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 3mer h THR 155 Cb 1.15 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3mer h THR 155 CO 0.08 0.54 0.07 -0.07 0.37 0.00 0.00 175.52 176.50 3mer h LEU 156 N 0.68 0.53 -1.19 2.58 3.38 -1.35 -2.86 115.31 117.09 3mer h LEU 156 Ca 0.04 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3mer h LEU 156 Cb 1.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 3mer h LEU 156 CO 0.10 0.65 0.57 1.56 0.09 0.00 0.00 178.44 181.41 3mer h GLN 157 N 0.40 0.93 0.00 1.13 4.20 -1.31 -0.04 115.11 120.43 3mer h GLN 157 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3mer h GLN 157 Cb 0.33 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mer h GLN 157 CO 0.00 0.62 0.00 -1.13 -0.67 0.00 0.00 178.83 177.65 3mer n SER 158 N -4.50 0.03 -0.24 1.46 3.41 -0.76 -1.76 113.62 111.27 3mer n SER 158 Ca 0.14 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 3mer n SER 158 Cb 0.23 -0.52 0.38 0.00 -0.26 0.00 0.00 64.21 64.04 3mer n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mer n GLU 159 N -1.54 0.82 -2.72 4.33 1.02 -0.03 -4.03 120.64 118.49 3mer n GLU 159 Ca 0.04 -0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 56.65 3mer n GLU 159 Cb 0.21 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 3mer n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mer n LEU 160 N -0.67 0.32 -0.45 -4.62 4.77 -0.72 -4.55 117.00 111.08 3mer n LEU 160 Ca 0.12 -3.40 0.37 0.00 -0.03 0.00 0.00 56.01 53.07 3mer n LEU 160 Cb 0.35 0.30 0.67 0.00 -2.33 0.00 0.00 43.42 42.41 3mer n LEU 160 CO 0.26 1.52 1.29 1.55 -1.33 0.00 0.00 177.39 180.68 3mer h PRO 161 N 2.39 0.11 -0.04 3.23 0.13 -1.53 -1.71 132.00 134.56 3mer h PRO 161 Ca -0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3mer h PRO 161 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mer h PRO 161 CO 0.19 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 178.46 3mer n SER 162 N -4.48 0.99 -4.83 1.44 7.64 -1.26 -4.86 113.62 108.26 3mer n SER 162 Ca 0.35 -1.42 -0.32 0.00 1.01 0.00 0.00 58.87 58.48 3mer n SER 162 Cb 1.41 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 64.53 3mer n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mer s LEU 163 N -1.85 3.79 -0.40 -3.43 2.96 -0.65 -4.55 118.68 114.56 3mer s LEU 163 Ca 0.38 1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 55.74 3mer s LEU 163 Cb 0.19 -4.50 0.01 0.00 0.50 0.00 0.00 46.19 42.40 3mer s LEU 163 CO 0.31 -0.47 0.35 0.21 -1.32 0.00 0.00 176.35 175.44 3mer s ASN 164 N -2.63 6.14 -0.80 3.68 3.04 0.79 -4.85 114.94 120.31 3mer s ASN 164 Ca 0.60 -0.70 -0.26 0.00 0.04 0.00 0.00 52.86 52.55 3mer s ASN 164 Cb -0.09 -2.19 0.04 0.00 -1.54 0.00 0.00 41.25 37.47 3mer s ASN 164 CO 0.22 -0.46 1.30 0.26 -3.04 0.00 0.00 177.10 175.38 3mer s TRP 165 N 1.89 2.35 0.19 0.43 0.52 -1.26 0.51 118.94 123.57 3mer s TRP 165 Ca 0.08 -0.24 0.17 0.00 0.02 0.00 0.00 56.10 56.13 3mer s TRP 165 Cb -0.18 -4.63 0.65 0.00 -1.15 0.00 0.00 33.47 28.16 3mer s TRP 165 CO 0.12 -2.03 1.73 -0.07 0.02 0.00 0.00 176.95 176.71 3mer h LEU 166 N 12.90 0.00 -7.47 2.99 3.38 -0.76 -3.44 115.31 122.91 3mer h LEU 166 Ca -0.18 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 3mer h LEU 166 Cb 1.04 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.52 3mer h LEU 166 CO 1.31 0.40 -0.49 -0.63 0.09 0.00 0.00 178.44 179.12 3mer s ILE 167 N -3.64 -0.01 -0.29 1.22 1.01 -1.06 -4.97 121.20 113.46 3mer s ILE 167 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3mer s ILE 167 Cb 0.11 -0.31 0.17 0.00 0.01 0.00 0.00 42.46 42.44 3mer s ILE 167 CO 0.70 0.02 0.45 0.00 0.00 0.00 0.00 174.94 176.11 3mer s ALA 168 N 0.50 -1.45 0.01 9.38 0.00 -1.25 -1.07 121.76 127.89 3mer s ALA 168 Ca -0.03 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.36 3mer s ALA 168 Cb -0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 3mer s ALA 168 CO -0.03 -1.79 -0.23 -0.80 0.00 0.00 0.00 175.76 172.92 3mer s ASN 169 N 2.57 3.36 -0.26 0.00 0.01 0.37 -4.97 114.94 116.01 3mer s ASN 169 Ca 0.10 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3mer s ASN 169 Cb -0.12 -0.44 0.03 0.00 0.41 0.00 0.00 41.25 41.13 3mer s ASN 169 CO -0.29 0.29 -0.05 0.20 -1.51 0.00 0.00 177.10 175.75 3mer s ASN 170 N -0.98 4.46 0.02 -1.22 0.01 -1.26 -0.64 114.94 115.33 3mer s ASN 170 Ca 0.12 -1.00 0.08 0.00 -0.71 0.00 0.00 52.86 51.34 3mer s ASN 170 Cb -0.10 -1.67 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 3mer s ASN 170 CO 0.01 -0.16 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.46 3mer s LEU 171 N 1.29 2.38 -0.05 0.60 1.43 0.86 -4.99 118.68 120.21 3mer s LEU 171 Ca -0.02 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3mer s LEU 171 Cb -0.18 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.67 3mer s LEU 171 CO -0.04 0.28 0.10 -1.61 0.23 0.00 0.00 176.35 175.31 3mer s GLU 172 N -1.17 0.01 -0.01 1.70 2.02 -1.26 -0.23 118.70 119.76 3mer s GLU 172 Ca 0.13 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.50 3mer s GLU 172 Cb -0.10 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.85 3mer s GLU 172 CO 0.03 -0.22 -0.08 -0.98 0.02 0.00 0.00 175.26 174.02 3mer s ARG 173 N 1.53 0.74 -0.33 1.61 1.70 -0.57 -5.00 118.95 118.62 3mer s ARG 173 Ca -0.04 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 3mer s ARG 173 Cb -0.12 -0.71 0.15 0.00 -0.57 0.00 0.00 34.95 33.70 3mer s ARG 173 CO -0.05 0.15 0.36 1.21 -1.08 0.00 0.00 175.30 175.90 3mer s ASN 174 N -0.06 1.16 -0.29 -2.89 2.47 -1.26 -0.95 114.94 113.11 3mer s ASN 174 Ca 0.01 -1.13 -0.16 0.00 0.42 0.00 0.00 52.86 52.00 3mer s ASN 174 Cb -0.05 0.65 0.18 0.00 -1.45 0.00 0.00 41.25 40.58 3mer s ASN 174 CO -0.00 -0.31 1.12 -1.59 -3.72 0.00 0.00 177.10 172.59 3mer s LYS 184 N 1.90 0.21 -0.16 0.43 -2.85 -1.26 -5.26 119.74 112.75 3mer s LYS 184 Ca 0.13 0.37 -0.34 0.00 -1.00 0.00 0.00 55.97 55.14 3mer s LYS 184 Cb -0.14 0.05 0.13 0.00 -2.06 0.00 0.00 37.83 35.81 3mer s LYS 184 CO -0.17 -0.05 1.19 0.00 0.10 0.00 0.00 175.35 176.43 3mer s ALA 185 N 1.21 -2.06 -0.22 0.59 0.00 -0.12 -4.68 121.76 116.48 3mer s ALA 185 Ca -0.09 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3mer s ALA 185 Cb -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3mer s ALA 185 CO -0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 175.76 174.90 3mer s ALA 186 N -2.48 2.65 0.16 0.00 0.00 -1.26 -1.51 121.76 119.32 3mer s ALA 186 Ca 0.10 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.85 3mer s ALA 186 Cb -0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3mer s ALA 186 CO -0.05 -0.51 -0.13 -0.51 0.00 0.00 0.00 175.76 174.56 3mer s LEU 187 N 1.38 2.51 -0.03 0.00 1.43 0.68 -0.27 118.68 124.39 3mer s LEU 187 Ca 0.04 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 3mer s LEU 187 Cb -0.15 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 3mer s LEU 187 CO -0.06 -0.22 -0.20 0.27 0.23 0.00 0.00 176.35 176.36 3mer s ILE 188 N -2.90 1.65 -0.05 -0.59 -4.36 0.25 -0.10 121.20 115.09 3mer s ILE 188 Ca 0.17 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.72 3mer s ILE 188 Cb -0.01 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.33 3mer s ILE 188 CO 0.04 0.47 -0.11 -1.10 0.24 0.00 0.00 174.94 174.47 3mer s GLN 189 N -0.30 1.48 -0.00 0.37 -0.21 0.19 -2.30 119.66 118.88 3mer s GLN 189 Ca 0.03 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.04 3mer s GLN 189 Cb -0.10 -1.27 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 3mer s GLN 189 CO 0.01 0.06 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.68 3mer s LEU 190 N 0.52 2.01 -0.27 2.90 1.43 -0.21 -0.48 118.68 124.60 3mer s LEU 190 Ca -0.11 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3mer s LEU 190 Cb -0.14 -0.24 0.09 0.00 0.03 0.00 0.00 46.19 45.92 3mer s LEU 190 CO 0.03 0.05 0.08 -0.22 0.23 0.00 0.00 176.35 176.52 3mer s LEU 191 N -0.14 1.66 -0.12 1.79 2.96 -0.23 -0.73 118.68 123.86 3mer s LEU 191 Ca 0.02 -1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 52.60 3mer s LEU 191 Cb -0.02 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 3mer s LEU 191 CO -0.00 -0.38 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.75 3mer s GLY 192 N 1.76 1.67 -0.11 7.98 0.00 0.14 0.04 107.32 118.78 3mer s GLY 192 Ca 0.06 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3mer s GLY 192 CO -0.21 -0.28 -0.14 1.62 0.00 0.00 0.00 173.10 174.09 3mer s GLN 193 N 0.00 3.22 0.08 2.90 0.74 0.18 -0.01 119.66 126.77 3mer s GLN 193 Ca -0.01 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 3mer s GLN 193 Cb -0.14 -2.56 -0.06 0.00 1.10 0.00 0.00 33.01 31.36 3mer s GLN 193 CO 0.03 0.27 1.13 0.21 -0.55 0.00 0.00 175.29 176.38 3mer s LYS 194 N 0.18 4.50 0.82 1.67 2.20 -0.41 -0.15 119.74 128.56 3mer s LYS 194 Ca -0.08 1.68 -0.13 0.00 -0.36 0.00 0.00 55.97 57.08 3mer s LYS 194 Cb -0.15 -3.35 0.09 0.00 -1.51 0.00 0.00 37.83 32.91 3mer s LYS 194 CO 0.05 -0.13 1.19 -0.51 -0.36 0.00 0.00 175.35 175.59 3mer s LEU 195 N 0.68 3.09 0.44 5.43 1.43 -1.26 -0.09 118.68 128.40 3mer s LEU 195 Ca 0.55 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 3mer s LEU 195 Cb -0.28 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.30 3mer s LEU 195 CO 0.30 -2.71 0.83 -1.61 0.23 0.00 0.00 176.35 173.40 3mer s GLU 196 N -4.25 3.82 0.00 1.70 0.41 -1.26 -3.98 118.70 115.13 3mer s GLU 196 Ca 0.71 0.59 0.25 0.00 -0.41 0.00 0.00 54.97 56.12 3mer s GLU 196 Cb -0.27 -2.32 1.49 0.00 -1.78 0.00 0.00 34.13 31.25 3mer s GLU 196 CO 0.52 -0.11 1.85 0.72 -0.49 0.00 0.00 175.26 177.75