#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2auk s GLU 8 N 0.00 0.41 0.00 0.00 -1.05 -1.26 -5.03 118.70 111.77 2auk s GLU 8 Ca 0.00 0.94 0.18 0.00 -0.15 0.00 0.00 54.97 55.94 2auk s GLU 8 Cb 0.00 0.56 0.49 0.00 -0.44 0.00 0.00 34.13 34.73 2auk s GLU 8 CO 0.00 -0.22 1.40 0.43 0.95 0.00 0.00 175.26 177.82 2auk n SER 9 N 5.24 3.48 -4.06 0.83 7.64 -1.26 -4.98 113.62 120.52 2auk n SER 9 Ca -0.08 -1.99 -0.08 0.00 1.01 0.00 0.00 58.87 57.72 2auk n SER 9 Cb 0.51 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.26 2auk n SER 9 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2auk s SER 10 N -1.03 0.33 -0.30 6.43 1.04 -1.26 -1.37 113.70 117.54 2auk s SER 10 Ca 0.37 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 2auk s SER 10 Cb 0.20 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2auk s SER 10 CO 0.26 -0.69 0.01 -0.63 0.98 0.00 0.00 173.24 173.17 2auk s ILE 11 N -3.95 3.06 -0.35 -1.02 1.01 -0.70 -4.99 121.20 114.25 2auk s ILE 11 Ca 0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 60.65 59.38 2auk s ILE 11 Cb 0.07 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.86 2auk s ILE 11 CO -0.06 -0.11 0.11 -1.58 0.00 0.00 0.00 174.94 173.31 2auk s GLN 12 N 1.27 2.37 0.35 2.79 0.74 -1.26 -1.41 119.66 124.50 2auk s GLN 12 Ca -0.05 -1.43 -0.28 0.00 0.05 0.00 0.00 55.36 53.65 2auk s GLN 12 Cb -0.20 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 2auk s GLN 12 CO -0.01 -0.80 1.37 0.28 -0.55 0.00 0.00 175.29 175.58 2auk n VAL 13 N 4.69 1.96 -0.03 1.34 0.31 -0.67 -4.81 118.33 121.12 2auk n VAL 13 Ca -0.09 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.64 2auk n VAL 13 Cb 0.43 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 2auk n VAL 13 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2auk n LYS 14 N 0.57 0.66 -4.52 5.55 4.01 -1.26 0.16 118.16 123.32 2auk n LYS 14 Ca 0.04 0.26 -0.26 0.00 -0.51 0.00 0.00 58.31 57.83 2auk n LYS 14 Cb 0.37 -1.75 -0.10 0.00 -0.51 0.00 0.00 35.03 33.04 2auk n LYS 14 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2auk s ASN 15 N -6.20 3.83 0.59 4.39 0.01 -1.26 -3.75 114.94 112.55 2auk s ASN 15 Ca -0.09 -1.19 -0.15 0.00 -0.71 0.00 0.00 52.86 50.72 2auk s ASN 15 Cb 0.08 -0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2auk s ASN 15 CO 0.81 -0.25 1.03 -0.75 -1.51 0.00 0.00 177.10 176.43 2auk s LYS 16 N -3.64 3.49 0.00 -0.60 2.20 -1.26 -3.30 119.74 116.63 2auk s LYS 16 Ca 0.33 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 2auk s LYS 16 Cb 0.03 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2auk s LYS 16 CO 0.17 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2auk n GLY 17 N -1.50 -0.11 3.23 5.54 0.00 -0.79 -4.79 105.19 106.77 2auk n GLY 17 Ca 0.08 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 2auk n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2auk s SER 18 N -4.00 2.24 0.21 1.61 1.04 0.31 0.03 113.70 115.15 2auk s SER 18 Ca 0.00 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 2auk s SER 18 Cb 0.00 -0.15 -0.08 0.00 0.10 0.00 0.00 66.02 65.89 2auk s SER 18 CO 0.00 0.08 1.14 -0.63 0.98 0.00 0.00 173.24 174.81 2auk s ILE 19 N -0.96 3.63 -0.07 -1.02 -1.09 0.84 -0.43 121.20 122.10 2auk s ILE 19 Ca 0.05 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 2auk s ILE 19 Cb -0.09 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2auk s ILE 19 CO 0.02 0.28 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.21 2auk s LYS 20 N -0.68 1.08 -0.19 2.79 2.47 0.20 0.71 119.74 126.11 2auk s LYS 20 Ca 0.49 -0.15 -0.01 0.00 -1.56 0.00 0.00 55.97 54.74 2auk s LYS 20 Cb -0.31 -1.12 0.01 0.00 -1.46 0.00 0.00 37.83 34.95 2auk s LYS 20 CO 0.38 -0.14 -0.14 -0.51 0.16 0.00 0.00 175.35 175.10 2auk s LEU 21 N 1.24 2.44 -0.09 5.43 1.43 -1.26 0.21 118.68 128.09 2auk s LEU 21 Ca -0.05 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2auk s LEU 21 Cb -0.14 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2auk s LEU 21 CO -0.02 -0.00 0.13 -0.55 0.23 0.00 0.00 176.35 176.14 2auk s SER 22 N 1.33 6.23 -1.01 2.29 0.15 -0.40 -4.56 113.70 117.72 2auk s SER 22 Ca 0.05 0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 2auk s SER 22 Cb -0.14 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 2auk s SER 22 CO -0.08 0.37 0.70 0.59 1.20 0.00 0.00 173.24 176.01 2auk n ASN 23 N 1.72 -5.18 -4.31 5.45 3.02 -1.26 -2.45 115.26 112.25 2auk n ASN 23 Ca -0.17 -0.96 -0.29 0.00 -0.03 0.00 0.00 54.58 53.12 2auk n ASN 23 Cb 0.54 -2.64 -0.15 0.00 -0.61 0.00 0.00 39.78 36.92 2auk n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2auk s VAL 24 N -3.28 1.97 -0.08 2.41 0.11 -1.26 -3.53 120.40 116.75 2auk s VAL 24 Ca 0.28 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2auk s VAL 24 Cb -0.12 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.07 2auk s VAL 24 CO 0.89 0.37 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.43 2auk s LYS 25 N -1.05 1.23 0.08 1.54 1.02 -1.26 -4.96 119.74 116.33 2auk s LYS 25 Ca 0.10 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2auk s LYS 25 Cb -0.10 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 2auk s LYS 25 CO 0.01 -0.18 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.68 2auk s SER 26 N 1.41 0.80 -0.09 2.83 1.04 -1.26 0.49 113.70 118.93 2auk s SER 26 Ca -0.02 -1.02 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 2auk s SER 26 Cb -0.13 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.21 2auk s SER 26 CO -0.04 -0.54 0.68 0.54 0.98 0.00 0.00 173.24 174.86 2auk s VAL 27 N -3.78 0.00 -0.11 5.02 0.11 0.05 -4.91 120.40 116.78 2auk s VAL 27 Ca 0.10 -0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 2auk s VAL 27 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2auk s VAL 27 CO -0.07 -0.00 0.72 -0.69 -3.33 0.00 0.00 175.10 171.73 2auk s VAL 28 N -0.90 5.00 0.60 2.04 1.01 -1.26 -0.29 120.40 126.60 2auk s VAL 28 Ca -0.09 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.40 2auk s VAL 28 Cb -0.01 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2auk s VAL 28 CO 0.08 0.18 0.83 0.54 0.00 0.00 0.00 175.10 176.73 2auk s ASN 29 N 0.95 4.96 0.14 3.32 2.20 -0.35 -4.68 114.94 121.48 2auk s ASN 29 Ca 0.36 -0.70 0.13 0.00 -0.94 0.00 0.00 52.86 51.71 2auk s ASN 29 Cb -0.17 0.16 0.64 0.00 -2.00 0.00 0.00 41.25 39.88 2auk s ASN 29 CO 0.15 -1.43 1.41 -1.54 -2.94 0.00 0.00 177.10 172.75 2auk n SER 30 N -2.36 0.29 -1.24 3.54 3.41 -1.26 -0.99 113.62 115.01 2auk n SER 30 Ca 0.15 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.47 2auk n SER 30 Cb 0.61 -0.66 0.29 0.00 -0.26 0.00 0.00 64.21 64.20 2auk n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2auk n SER 31 N -1.86 3.59 -0.90 4.04 7.64 -1.26 -4.94 113.62 119.93 2auk n SER 31 Ca 0.01 -2.04 -0.08 0.00 1.01 0.00 0.00 58.87 57.76 2auk n SER 31 Cb 0.08 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.82 2auk n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2auk n GLY 32 N 1.50 0.12 3.60 0.23 0.00 -0.16 -5.04 105.19 105.43 2auk n GLY 32 Ca 0.22 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 2auk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2auk s LYS 33 N -4.25 2.32 -0.41 1.61 -0.14 -1.26 -4.90 119.74 112.71 2auk s LYS 33 Ca 0.00 -0.91 -0.21 0.00 -1.36 0.00 0.00 55.97 53.49 2auk s LYS 33 Cb 0.00 -2.40 0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2auk s LYS 33 CO 0.00 0.54 0.68 -1.17 -0.76 0.00 0.00 175.35 174.64 2auk s LEU 34 N -2.00 4.35 -0.13 3.17 2.96 -1.26 -1.22 118.68 124.56 2auk s LEU 34 Ca 0.21 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2auk s LEU 34 Cb -0.11 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2auk s LEU 34 CO 0.13 -0.75 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.69 2auk s VAL 35 N 2.90 3.95 -0.07 1.68 1.01 0.60 -0.84 120.40 129.62 2auk s VAL 35 Ca 0.25 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2auk s VAL 35 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2auk s VAL 35 CO 0.18 0.53 0.58 0.27 0.00 0.00 0.00 175.10 176.66 2auk s ILE 36 N -0.07 5.07 -0.81 2.22 -5.25 -0.84 -0.77 121.20 120.74 2auk s ILE 36 Ca 0.02 1.19 0.09 0.00 -0.99 0.00 0.00 60.65 60.96 2auk s ILE 36 Cb -0.13 -3.92 0.27 0.00 2.95 0.00 0.00 42.46 41.63 2auk s ILE 36 CO 0.02 0.33 1.22 0.35 -1.79 0.00 0.00 174.94 175.08 2auk n THR 37 N 3.42 1.00 -2.86 8.37 -2.24 0.18 -0.89 114.28 121.27 2auk n THR 37 Ca -0.05 -1.00 -0.23 0.00 -2.27 0.00 0.00 64.05 60.50 2auk n THR 37 Cb 0.51 0.50 0.02 0.00 -2.10 0.00 0.00 70.33 69.26 2auk n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2auk s SER 38 N -1.00 5.70 -0.01 3.42 1.04 -1.17 -4.89 113.70 116.79 2auk s SER 38 Ca 0.20 0.28 0.09 0.00 0.48 0.00 0.00 55.95 57.00 2auk s SER 38 Cb 0.11 -1.43 -0.14 0.00 0.10 0.00 0.00 66.02 64.66 2auk s SER 38 CO 0.14 -0.83 0.23 0.54 0.98 0.00 0.00 173.24 174.30 2auk n ARG 39 N -2.18 0.69 -0.29 4.02 1.74 -1.26 -4.07 116.66 115.30 2auk n ARG 39 Ca 0.03 -0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.11 2auk n ARG 39 Cb 0.58 -1.19 0.20 0.00 -1.02 0.00 0.00 32.46 31.03 2auk n ARG 39 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2auk n ASN 40 N -1.76 3.28 -4.66 0.55 3.02 -1.26 -4.73 115.26 109.70 2auk n ASN 40 Ca -0.01 -2.87 -0.45 0.00 -0.03 0.00 0.00 54.58 51.21 2auk n ASN 40 Cb 0.23 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 2auk n ASN 40 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2auk n THR 41 N -0.63 0.88 -5.15 3.41 -1.04 -1.23 -4.87 114.28 105.64 2auk n THR 41 Ca 0.18 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.05 61.65 2auk n THR 41 Cb 0.74 -1.39 -0.16 0.00 -1.82 0.00 0.00 70.33 67.70 2auk n THR 41 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2auk s GLU 42 N -0.32 2.94 -0.26 -2.82 2.12 -1.03 -1.82 118.70 117.52 2auk s GLU 42 Ca 0.70 -0.85 -0.06 0.00 0.36 0.00 0.00 54.97 55.12 2auk s GLU 42 Cb -0.68 -2.32 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2auk s GLU 42 CO 0.49 0.26 0.03 -1.17 -0.54 0.00 0.00 175.26 174.33 2auk s LEU 43 N 0.16 3.40 0.12 2.70 2.96 0.11 -1.27 118.68 126.86 2auk s LEU 43 Ca -0.12 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2auk s LEU 43 Cb -0.16 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2auk s LEU 43 CO 0.07 -0.09 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.38 2auk s LYS 44 N 1.51 2.15 -0.34 1.98 1.02 0.13 0.00 119.74 126.20 2auk s LYS 44 Ca 0.04 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 54.87 2auk s LYS 44 Cb -0.16 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2auk s LYS 44 CO 0.00 0.49 0.15 -1.17 -0.92 0.00 0.00 175.35 173.90 2auk s LEU 45 N -2.40 4.33 -0.15 3.17 2.96 -0.06 -0.63 118.68 125.90 2auk s LEU 45 Ca 0.23 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 53.16 2auk s LEU 45 Cb -0.11 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2auk s LEU 45 CO 0.15 -0.29 0.23 -0.63 -1.32 0.00 0.00 176.35 174.49 2auk s ILE 46 N 1.53 5.34 0.71 6.68 -1.09 0.43 0.38 121.20 135.18 2auk s ILE 46 Ca 0.02 0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 2auk s ILE 46 Cb -0.18 -3.56 0.13 0.00 -1.58 0.00 0.00 42.46 37.27 2auk s ILE 46 CO 0.05 0.45 0.98 1.51 -1.23 0.00 0.00 174.94 176.70 2auk s ASP 47 N 0.09 4.39 0.33 3.58 1.47 -0.80 -0.53 116.67 125.20 2auk s ASP 47 Ca 0.15 -0.56 0.13 0.00 1.18 0.00 0.00 52.55 53.44 2auk s ASP 47 Cb -0.13 0.22 1.03 0.00 -0.34 0.00 0.00 42.92 43.71 2auk s ASP 47 CO 0.03 -1.85 1.66 1.05 0.68 0.00 0.00 175.17 176.74 2auk h GLU 48 N -0.44 0.30 0.00 2.11 4.11 -1.90 1.16 114.58 119.91 2auk h GLU 48 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2auk h GLU 48 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2auk h GLU 48 CO 0.38 0.20 0.00 1.19 0.07 0.00 0.00 179.01 180.85 2auk n PHE 49 N -5.08 0.00 -1.29 2.06 3.01 -1.26 -4.88 117.46 110.03 2auk n PHE 49 Ca 0.30 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.70 2auk n PHE 49 Cb 0.94 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 40.32 2auk n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2auk n GLY 50 N 1.02 0.81 3.82 1.37 0.00 0.40 -5.01 105.19 107.60 2auk n GLY 50 Ca 0.22 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2auk n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2auk s ARG 51 N -2.74 3.88 -0.34 1.61 0.52 -1.26 -4.76 118.95 115.86 2auk s ARG 51 Ca 0.00 0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 55.14 2auk s ARG 51 Cb 0.00 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 2auk s ARG 51 CO 0.00 0.61 1.85 0.99 0.02 0.00 0.00 175.30 178.76 2auk s THR 52 N -0.70 3.42 -0.09 0.02 2.01 -1.26 -1.91 115.64 117.13 2auk s THR 52 Ca 0.20 0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 2auk s THR 52 Cb -0.15 -3.60 -0.28 0.00 0.01 0.00 0.00 72.50 68.48 2auk s THR 52 CO 0.09 -0.40 0.54 0.11 -0.69 0.00 0.00 174.62 174.27 2auk h LYS 53 N 13.33 0.31 -5.06 4.92 1.79 -0.43 -3.48 116.57 127.94 2auk h LYS 53 Ca -0.34 -0.53 -0.35 0.00 -2.18 0.00 0.00 60.65 57.26 2auk h LYS 53 Cb 1.18 0.20 -0.20 0.00 -1.58 0.00 0.00 32.23 31.82 2auk h LYS 53 CO 1.04 1.25 -0.75 -1.21 -1.08 0.00 0.00 179.45 178.70 2auk s GLU 54 N -2.54 0.79 -0.08 3.15 2.02 -1.21 -4.97 118.70 115.87 2auk s GLU 54 Ca -0.19 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 53.76 2auk s GLU 54 Cb 0.05 -0.62 0.04 0.00 0.10 0.00 0.00 34.13 33.70 2auk s GLU 54 CO 0.80 0.12 0.15 0.45 0.02 0.00 0.00 175.26 176.80 2auk s SER 55 N -2.01 0.42 0.12 -0.19 0.15 -1.26 -0.88 113.70 110.06 2auk s SER 55 Ca -0.00 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.02 2auk s SER 55 Cb -0.07 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 2auk s SER 55 CO 0.01 -0.21 -0.15 -0.31 1.20 0.00 0.00 173.24 173.78 2auk s TYR 56 N 1.85 1.48 -0.14 3.44 2.02 0.10 -4.99 117.35 121.12 2auk s TYR 56 Ca -0.02 -0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 2auk s TYR 56 Cb -0.12 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 2auk s TYR 56 CO -0.06 0.17 0.26 0.21 -1.57 0.00 0.00 175.55 174.56 2auk s LYS 57 N -2.59 4.08 -0.24 -0.62 2.47 -1.26 0.07 119.74 121.65 2auk s LYS 57 Ca 0.09 0.05 -0.02 0.00 -1.56 0.00 0.00 55.97 54.52 2auk s LYS 57 Cb -0.06 -3.37 0.02 0.00 -1.46 0.00 0.00 37.83 32.97 2auk s LYS 57 CO 0.04 0.38 -0.05 0.08 0.16 0.00 0.00 175.35 175.96 2auk s VAL 58 N 0.05 3.03 0.57 4.02 1.01 -0.75 -4.89 120.40 123.43 2auk s VAL 58 Ca 0.16 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2auk s VAL 58 Cb -0.13 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2auk s VAL 58 CO 0.04 0.25 1.19 -2.84 0.00 0.00 0.00 175.10 173.74 2auk s PRO 59 N 1.37 3.15 0.22 2.72 0.02 -1.26 -4.29 135.00 136.92 2auk s PRO 59 Ca 0.02 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 62.51 2auk s PRO 59 Cb -0.16 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.22 2auk s PRO 59 CO -0.04 -1.05 1.54 0.98 -0.33 0.00 0.00 177.00 178.10 2auk n TYR 60 N -1.39 2.41 0.00 6.54 9.36 -1.26 -1.57 117.16 131.25 2auk n TYR 60 Ca 0.12 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.64 2auk n TYR 60 Cb 0.50 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 2auk n TYR 60 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2auk n GLY 61 N 2.82 1.24 3.75 2.98 0.00 -0.06 -4.70 105.19 111.21 2auk n GLY 61 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2auk n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2auk s ALA 62 N -2.29 2.58 -0.12 4.61 0.00 -0.61 -4.67 121.76 121.26 2auk s ALA 62 Ca 0.00 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 2auk s ALA 62 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2auk s ALA 62 CO 0.00 -1.30 0.30 0.08 0.00 0.00 0.00 175.76 174.84 2auk s VAL 63 N -1.47 5.27 -0.16 0.00 1.01 0.17 -1.99 120.40 123.23 2auk s VAL 63 Ca 0.77 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 2auk s VAL 63 Cb -0.35 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2auk s VAL 63 CO 0.38 0.46 0.08 -0.76 0.00 0.00 0.00 175.10 175.26 2auk s LEU 64 N -0.08 3.97 0.03 3.92 1.43 -0.02 -1.28 118.68 126.64 2auk s LEU 64 Ca 0.18 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2auk s LEU 64 Cb -0.14 -1.99 -0.23 0.00 0.03 0.00 0.00 46.19 43.87 2auk s LEU 64 CO 0.06 0.25 0.94 0.00 0.23 0.00 0.00 176.35 177.84 2auk h ALA 65 N 6.13 0.55 -3.22 4.21 0.00 -0.61 -3.39 119.26 122.93 2auk h ALA 65 Ca -0.43 -1.20 -0.27 0.00 0.00 0.00 0.00 54.91 53.01 2auk h ALA 65 Cb 1.18 0.19 -0.22 0.00 0.00 0.00 0.00 17.79 18.95 2auk h ALA 65 CO 0.67 1.41 -0.73 0.15 0.00 0.00 0.00 179.25 180.74 2auk s LYS 66 N -2.65 0.49 0.73 0.00 1.02 -1.25 -5.09 119.74 113.01 2auk s LYS 66 Ca -0.03 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 2auk s LYS 66 Cb 0.09 -0.26 0.12 0.00 -0.52 0.00 0.00 37.83 37.26 2auk s LYS 66 CO 0.82 0.05 1.02 0.20 -0.92 0.00 0.00 175.35 176.52 2auk s GLY 67 N -1.42 1.76 0.42 -3.33 0.00 -1.26 -5.00 107.32 98.49 2auk s GLY 67 Ca -0.09 -1.60 -0.26 0.00 0.00 0.00 0.00 44.72 42.77 2auk s GLY 67 CO 0.00 -1.04 1.29 1.34 0.00 0.00 0.00 173.10 174.69 2auk n ASP 68 N -2.91 2.65 0.00 1.64 -0.08 -1.26 -2.47 116.55 114.11 2auk n ASP 68 Ca 0.14 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 2auk n ASP 68 Cb 0.60 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.55 2auk n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2auk n GLY 69 N 0.78 0.56 3.83 0.27 0.00 0.22 -4.99 105.19 105.87 2auk n GLY 69 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2auk n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auk s GLU 70 N -0.42 4.05 0.27 1.61 2.02 -1.03 -4.74 118.70 120.47 2auk s GLU 70 Ca 0.00 0.58 -0.29 0.00 0.02 0.00 0.00 54.97 55.28 2auk s GLU 70 Cb 0.00 -2.98 -0.09 0.00 0.10 0.00 0.00 34.13 31.15 2auk s GLU 70 CO 0.00 0.50 1.00 -0.65 0.02 0.00 0.00 175.26 176.13 2auk s GLN 71 N -1.79 4.71 0.13 1.61 -0.21 -1.26 -0.11 119.66 122.74 2auk s GLN 71 Ca 0.37 1.57 0.02 0.00 0.02 0.00 0.00 55.36 57.33 2auk s GLN 71 Cb -0.16 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 2auk s GLN 71 CO 0.19 0.35 -0.05 0.14 -2.12 0.00 0.00 175.29 173.81 2auk s VAL 72 N -1.26 0.77 0.09 1.09 -7.23 0.10 -4.90 120.40 109.06 2auk s VAL 72 Ca 0.44 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 2auk s VAL 72 Cb -0.27 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2auk s VAL 72 CO 0.33 -0.71 -0.05 0.00 -0.31 0.00 0.00 175.10 174.37 2auk s ALA 73 N -3.59 3.12 0.49 1.32 0.00 -1.26 -1.88 121.76 119.97 2auk s ALA 73 Ca 0.17 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2auk s ALA 73 Cb 0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 2auk s ALA 73 CO -0.01 0.67 0.83 0.41 0.00 0.00 0.00 175.76 177.66 2auk n GLY 74 N 0.69 -0.70 2.84 0.00 0.00 -1.21 -1.81 105.19 105.01 2auk n GLY 74 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2auk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2auk n GLY 75 N 1.42 0.67 3.74 -0.02 0.00 0.41 -4.90 105.19 106.51 2auk n GLY 75 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2auk n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2auk s GLU 76 N -0.25 4.50 -0.28 1.61 2.12 -0.75 -4.82 118.70 120.83 2auk s GLU 76 Ca 0.00 1.09 -0.25 0.00 0.36 0.00 0.00 54.97 56.17 2auk s GLU 76 Cb 0.00 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 2auk s GLU 76 CO 0.00 0.23 0.84 0.99 -0.54 0.00 0.00 175.26 176.78 2auk s THR 77 N 0.12 4.78 -0.36 -1.70 2.01 -1.26 -1.68 115.64 117.55 2auk s THR 77 Ca 0.40 1.44 0.15 0.00 0.31 0.00 0.00 61.69 63.98 2auk s THR 77 Cb -0.20 -4.16 -0.19 0.00 0.01 0.00 0.00 72.50 67.96 2auk s THR 77 CO 0.23 -0.19 0.47 1.33 -0.69 0.00 0.00 174.62 175.78 2auk n VAL 78 N 5.43 0.00 -3.66 3.82 0.24 -0.50 -4.77 118.33 118.89 2auk n VAL 78 Ca 0.06 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 2auk n VAL 78 Cb 0.48 0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 33.38 2auk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2auk s ALA 79 N -2.68 -1.06 0.06 2.33 0.00 -1.22 0.13 121.76 119.32 2auk s ALA 79 Ca 0.00 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 2auk s ALA 79 Cb 0.10 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2auk s ALA 79 CO 0.60 -0.43 0.31 1.21 0.00 0.00 0.00 175.76 177.45 2auk s ASN 80 N -1.84 -0.12 0.08 0.00 3.04 -0.41 -1.72 114.94 113.98 2auk s ASN 80 Ca -0.07 -0.23 -0.27 0.00 0.04 0.00 0.00 52.86 52.33 2auk s ASN 80 Cb -0.01 0.37 0.08 0.00 -1.54 0.00 0.00 41.25 40.15 2auk s ASN 80 CO -0.00 -0.65 0.96 -1.66 -3.04 0.00 0.00 177.10 172.70 2auk s TRP 81 N -2.78 -0.20 -0.16 0.43 -2.14 -0.47 0.41 118.94 114.03 2auk s TRP 81 Ca -0.03 -0.03 -0.26 0.00 2.66 0.00 0.00 56.10 58.44 2auk s TRP 81 Cb -0.00 0.60 -0.02 0.00 -3.10 0.00 0.00 33.47 30.95 2auk s TRP 81 CO -0.05 -0.68 0.84 0.34 -2.66 0.00 0.00 176.95 174.74 2auk s ASP 82 N -2.77 6.98 0.31 -2.66 -1.08 -1.26 -4.73 116.67 111.46 2auk s ASP 82 Ca 0.10 1.21 0.17 0.00 -0.52 0.00 0.00 52.55 53.50 2auk s ASP 82 Cb -0.01 -2.46 0.26 0.00 -1.46 0.00 0.00 42.92 39.25 2auk s ASP 82 CO -0.02 -0.38 1.53 1.55 0.52 0.00 0.00 175.17 178.37 2auk h PRO 83 N 7.28 0.00 0.00 4.34 0.13 -1.94 -3.35 132.00 138.46 2auk h PRO 83 Ca -0.30 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.61 2auk h PRO 83 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2auk h PRO 83 CO 0.83 0.44 -1.04 0.45 -0.23 0.00 0.00 178.00 178.45 2auk h HIS 84 N 0.00 0.00 -3.23 1.56 3.86 -1.96 -3.47 115.15 111.91 2auk h HIS 84 Ca -0.00 -0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.78 2auk h HIS 84 Cb 1.23 -0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.54 2auk h HIS 84 CO 0.00 1.00 -0.74 0.95 0.86 0.00 0.00 177.93 180.00 2auk s THR 85 N -2.70 1.52 -0.18 2.45 -4.23 -1.26 -1.42 115.64 109.83 2auk s THR 85 Ca 0.01 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 2auk s THR 85 Cb 0.10 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 2auk s THR 85 CO 0.82 -0.54 -0.02 -0.32 -0.54 0.00 0.00 174.62 174.02 2auk s MET 86 N -3.28 3.64 0.66 3.99 1.75 0.12 -4.76 119.30 121.42 2auk s MET 86 Ca 0.17 -0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 54.05 2auk s MET 86 Cb -0.02 -3.00 0.06 0.00 2.84 0.00 0.00 34.83 34.72 2auk s MET 86 CO 0.04 0.13 0.93 -1.25 -0.65 0.00 0.00 175.02 174.22 2auk s PRO 87 N 0.68 2.23 -0.21 4.11 0.04 -1.26 -0.43 135.00 140.16 2auk s PRO 87 Ca -0.01 -0.53 0.01 0.00 0.04 0.00 0.00 61.00 60.51 2auk s PRO 87 Cb -0.14 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2auk s PRO 87 CO 0.02 -1.10 -0.11 0.08 0.04 0.00 0.00 177.00 175.93 2auk s VAL 88 N -3.08 1.73 -0.05 -0.36 1.01 -0.47 -4.89 120.40 114.29 2auk s VAL 88 Ca 0.60 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2auk s VAL 88 Cb -0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2auk s VAL 88 CO 0.43 0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 174.92 2auk s ILE 89 N 1.35 3.19 0.30 2.22 1.01 -1.26 -0.14 121.20 127.86 2auk s ILE 89 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 59.69 2auk s ILE 89 Cb -0.17 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.95 2auk s ILE 89 CO -0.08 0.59 0.92 0.28 0.00 0.00 0.00 174.94 176.65 2auk s THR 90 N -0.75 4.23 -1.55 2.92 -1.32 -0.94 -4.94 115.64 113.30 2auk s THR 90 Ca 0.12 1.80 0.24 0.00 -1.21 0.00 0.00 61.69 62.64 2auk s THR 90 Cb -0.11 -4.04 0.01 0.00 -1.51 0.00 0.00 72.50 66.85 2auk s THR 90 CO 0.01 0.21 1.21 -0.62 -2.21 0.00 0.00 174.62 173.22 2auk n GLU 91 N 0.73 0.63 -4.30 7.08 1.02 -1.26 -0.78 120.64 123.76 2auk n GLU 91 Ca 0.01 -0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 56.52 2auk n GLU 91 Cb 0.50 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 2auk n GLU 91 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2auk s VAL 92 N -2.70 1.12 0.31 2.62 -7.23 -1.26 -4.69 120.40 108.57 2auk s VAL 92 Ca 0.16 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 2auk s VAL 92 Cb 0.18 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 2auk s VAL 92 CO 0.65 -0.51 0.46 -0.44 -0.31 0.00 0.00 175.10 174.96 2auk s SER 93 N -3.25 6.16 0.00 4.85 0.01 -1.26 -3.36 113.70 116.85 2auk s SER 93 Ca 0.23 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2auk s SER 93 Cb 0.04 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2auk s SER 93 CO 0.05 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2auk n GLY 94 N -1.63 -0.10 3.08 3.44 0.00 -0.10 -4.89 105.19 105.00 2auk n GLY 94 Ca -0.04 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 2auk n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2auk s PHE 95 N -1.57 0.97 0.03 1.61 0.40 0.16 -0.33 117.98 119.25 2auk s PHE 95 Ca 0.00 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 2auk s PHE 95 Cb 0.00 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 2auk s PHE 95 CO 0.00 -0.00 0.97 0.08 0.70 0.00 0.00 175.22 176.97 2auk s VAL 96 N -0.62 4.77 -0.19 -0.44 1.01 -0.46 -0.59 120.40 123.88 2auk s VAL 96 Ca 0.01 2.06 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 2auk s VAL 96 Cb -0.06 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2auk s VAL 96 CO 0.00 0.20 -0.03 -0.60 0.00 0.00 0.00 175.10 174.68 2auk s ARG 97 N 0.74 1.29 0.32 2.72 3.52 0.13 0.58 118.95 128.25 2auk s ARG 97 Ca 0.51 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 2auk s ARG 97 Cb -0.22 -2.21 -0.11 0.00 -1.56 0.00 0.00 34.95 30.85 2auk s ARG 97 CO 0.28 -0.54 1.49 -0.06 -0.81 0.00 0.00 175.30 175.66 2auk s PHE 98 N 1.62 2.78 -0.03 5.12 0.40 -1.26 -0.72 117.98 125.88 2auk s PHE 98 Ca -0.02 1.06 -0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2auk s PHE 98 Cb -0.17 -3.95 0.03 0.00 0.51 0.00 0.00 43.02 39.44 2auk s PHE 98 CO -0.07 -2.96 0.03 0.99 0.70 0.00 0.00 175.22 173.91 2auk s THR 99 N -0.57 0.01 -1.89 0.64 2.01 0.03 -4.81 115.64 111.06 2auk s THR 99 Ca 0.57 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2auk s THR 99 Cb -0.45 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2auk s THR 99 CO 0.53 0.14 0.00 0.47 -0.69 0.00 0.00 174.62 175.07 2auk n ASP 100 N 4.51 -5.84 -4.24 3.53 8.00 -1.26 -0.67 116.55 120.59 2auk n ASP 100 Ca -0.20 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 2auk n ASP 100 Cb 0.50 -4.92 -0.03 0.00 -0.02 0.00 0.00 41.12 36.65 2auk n ASP 100 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2auk s MET 101 N -4.74 3.77 -0.22 -1.24 -1.94 -1.26 -3.80 119.30 109.86 2auk s MET 101 Ca 0.00 -3.21 -0.08 0.00 -1.71 0.00 0.00 55.69 50.68 2auk s MET 101 Cb 0.00 -4.29 -0.04 0.00 2.01 0.00 0.00 34.83 32.51 2auk s MET 101 CO 0.00 -1.25 0.10 0.42 -0.01 0.00 0.00 175.02 174.27 2auk s ILE 102 N -1.24 4.79 0.25 2.53 1.09 -1.26 -4.91 121.20 122.46 2auk s ILE 102 Ca 0.29 -0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.52 2auk s ILE 102 Cb -0.09 -3.21 -0.11 0.00 -1.06 0.00 0.00 42.46 37.99 2auk s ILE 102 CO -0.10 0.38 1.53 -0.62 -0.10 0.00 0.00 174.94 176.03 2auk s ASP 103 N 1.05 6.52 0.00 3.58 2.15 -1.26 -1.09 116.67 127.62 2auk s ASP 103 Ca 0.05 2.79 0.00 0.00 0.43 0.00 0.00 52.55 55.82 2auk s ASP 103 Cb -0.14 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2auk s ASP 103 CO 0.04 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 2auk n GLY 104 N 2.46 3.25 0.59 2.66 0.00 -0.43 -4.80 105.19 108.93 2auk n GLY 104 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2auk n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2auk n GLN 105 N -2.00 0.17 -0.00 1.61 6.02 -0.61 -4.81 117.38 117.76 2auk n GLN 105 Ca 0.00 0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.11 2auk n GLN 105 Cb 0.00 -0.72 -0.08 0.00 1.02 0.00 0.00 30.24 30.46 2auk n GLN 105 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2auk n THR 106 N -3.53 0.00 -4.20 5.09 -2.24 -0.25 -4.50 114.28 104.66 2auk n THR 106 Ca -0.05 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2auk n THR 106 Cb 0.17 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 2auk n THR 106 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2auk s ILE 107 N -2.40 0.00 -0.01 2.28 -4.36 -0.98 -0.14 121.20 115.60 2auk s ILE 107 Ca 0.00 -1.97 -0.25 0.00 -0.26 0.00 0.00 60.65 58.17 2auk s ILE 107 Cb 0.08 -2.49 0.06 0.00 1.25 0.00 0.00 42.46 41.36 2auk s ILE 107 CO 0.47 0.00 0.56 0.28 0.24 0.00 0.00 174.94 176.49 2auk s THR 108 N -4.06 0.02 -0.37 8.37 -1.32 -0.24 -1.31 115.64 116.73 2auk s THR 108 Ca 0.38 -0.16 -0.18 0.00 -1.21 0.00 0.00 61.69 60.53 2auk s THR 108 Cb 0.06 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2auk s THR 108 CO 0.14 -0.09 0.49 -0.60 -2.21 0.00 0.00 174.62 172.35 2auk s ARG 109 N -1.68 3.50 -0.04 7.08 3.52 -1.26 0.21 118.95 130.27 2auk s ARG 109 Ca -0.09 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 2auk s ARG 109 Cb -0.01 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2auk s ARG 109 CO 0.05 -0.70 0.12 -0.65 -0.81 0.00 0.00 175.30 173.32 2auk s GLN 110 N 2.34 3.28 -0.01 5.12 -1.52 0.06 -4.91 119.66 124.01 2auk s GLN 110 Ca 0.17 -0.33 0.07 0.00 -1.95 0.00 0.00 55.36 53.32 2auk s GLN 110 Cb -0.16 -3.02 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 2auk s GLN 110 CO 0.14 0.70 -0.23 0.99 -0.25 0.00 0.00 175.29 176.63 2auk s THR 111 N -1.17 2.31 -0.70 -0.19 2.01 -1.26 -0.49 115.64 116.15 2auk s THR 111 Ca 0.22 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 2auk s THR 111 Cb -0.12 -1.85 0.07 0.00 0.01 0.00 0.00 72.50 70.60 2auk s THR 111 CO 0.12 0.52 1.03 -0.62 -0.69 0.00 0.00 174.62 174.99 2auk s ASP 112 N -0.81 6.21 0.27 3.53 -1.08 0.54 -4.88 116.67 120.45 2auk s ASP 112 Ca 0.11 -1.00 0.12 0.00 -0.52 0.00 0.00 52.55 51.26 2auk s ASP 112 Cb -0.10 -2.44 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 2auk s ASP 112 CO 0.00 -1.48 1.26 -1.84 0.52 0.00 0.00 175.17 173.63 2auk n GLU 113 N 7.90 0.08 -0.08 4.34 -0.00 -1.26 0.36 120.64 131.98 2auk n GLU 113 Ca 0.00 0.54 -0.20 0.00 -0.00 0.00 0.00 57.16 57.49 2auk n GLU 113 Cb 0.46 -2.01 -0.13 0.00 -0.00 0.00 0.00 31.44 29.76 2auk n GLU 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2auk n LEU 114 N -1.95 2.70 -0.17 -1.84 4.77 -1.26 -4.53 117.00 114.72 2auk n LEU 114 Ca -0.01 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2auk n LEU 114 Cb 0.27 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 2auk n LEU 114 CO 0.05 0.84 0.09 0.35 -1.33 0.00 0.00 177.39 177.39 2auk n THR 115 N -3.49 0.00 0.00 -5.08 -2.24 -0.90 -4.96 114.28 97.61 2auk n THR 115 Ca -0.41 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2auk n THR 115 Cb 0.99 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 2auk n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2auk n GLY 116 N 1.36 2.58 3.71 3.38 0.00 0.16 -4.97 105.19 111.41 2auk n GLY 116 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2auk n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2auk s LEU 117 N 0.00 4.36 0.28 0.99 1.43 -1.25 -4.61 118.68 119.88 2auk s LEU 117 Ca 0.00 2.16 0.11 0.00 -1.03 0.00 0.00 54.13 55.37 2auk s LEU 117 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2auk s LEU 117 CO 0.00 -0.58 -0.14 -0.94 0.23 0.00 0.00 176.35 174.92 2auk s SER 118 N 1.18 3.85 0.16 2.29 1.04 -1.26 -0.33 113.70 120.62 2auk s SER 118 Ca 0.62 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 56.00 2auk s SER 118 Cb -0.33 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2auk s SER 118 CO 0.29 0.01 0.32 -0.44 0.98 0.00 0.00 173.24 174.40 2auk s SER 119 N -3.56 -0.02 -0.08 7.02 0.01 0.36 -4.98 113.70 112.44 2auk s SER 119 Ca 0.31 -0.74 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 2auk s SER 119 Cb -0.05 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 2auk s SER 119 CO 0.16 -0.90 0.77 -0.76 0.41 0.00 0.00 173.24 172.92 2auk s LEU 120 N -2.93 4.29 -0.06 2.44 1.43 -1.12 -0.76 118.68 121.96 2auk s LEU 120 Ca 0.13 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 2auk s LEU 120 Cb 0.03 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 2auk s LEU 120 CO -0.03 -0.21 -0.16 -0.69 0.23 0.00 0.00 176.35 175.50 2auk s VAL 121 N 1.18 2.89 -0.10 -1.59 1.01 0.13 -1.07 120.40 122.85 2auk s VAL 121 Ca 0.40 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2auk s VAL 121 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2auk s VAL 121 CO 0.18 0.58 0.90 -0.69 0.00 0.00 0.00 175.10 176.06 2auk s VAL 122 N -0.45 4.88 0.13 2.92 1.01 -0.20 -1.08 120.40 127.60 2auk s VAL 122 Ca 0.05 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 2auk s VAL 122 Cb -0.12 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 2auk s VAL 122 CO 0.02 0.08 1.20 -0.76 0.00 0.00 0.00 175.10 175.64 2auk s LEU 123 N 1.65 4.41 0.26 3.92 1.02 0.81 0.27 118.68 131.02 2auk s LEU 123 Ca 0.44 2.13 -0.31 0.00 0.02 0.00 0.00 54.13 56.42 2auk s LEU 123 Cb -0.18 -3.59 -0.11 0.00 0.02 0.00 0.00 46.19 42.32 2auk s LEU 123 CO 0.18 -0.42 1.60 -1.81 0.02 0.00 0.00 176.35 175.93 2auk s ASP 124 N 0.57 6.42 0.46 2.29 1.01 -1.26 -4.58 116.67 121.59 2auk s ASP 124 Ca 0.56 2.87 0.28 0.00 0.71 0.00 0.00 52.55 56.97 2auk s ASP 124 Cb -0.31 -2.62 1.34 0.00 1.01 0.00 0.00 42.92 42.34 2auk s ASP 124 CO 0.33 -0.89 1.75 -1.28 0.21 0.00 0.00 175.17 175.28 2auk h SER 125 N 5.45 0.24 0.72 0.27 0.87 -1.97 0.49 113.55 119.61 2auk h SER 125 Ca -0.46 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 2auk h SER 125 Cb 1.21 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 2auk h SER 125 CO 0.84 0.01 -0.51 0.00 -0.53 0.00 0.00 176.83 176.63 2auk h ALA 126 N 1.52 0.99 0.00 6.23 0.00 -1.99 -2.65 119.26 123.36 2auk h ALA 126 Ca 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2auk h ALA 126 Cb 2.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2auk h ALA 126 CO -0.20 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.07 2auk n GLU 127 N -3.69 0.04 -1.80 0.00 1.02 0.17 -4.90 120.64 111.48 2auk n GLU 127 Ca -0.01 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 2auk n GLU 127 Cb 0.57 -1.54 0.05 0.00 -0.02 0.00 0.00 31.44 30.49 2auk n GLU 127 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2auk s ARG 128 N -3.01 2.82 0.73 3.49 0.52 -1.00 -4.96 118.95 117.54 2auk s ARG 128 Ca 0.13 0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 55.80 2auk s ARG 128 Cb 0.18 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.67 2auk s ARG 128 CO 0.54 -1.09 1.08 0.95 0.02 0.00 0.00 175.30 176.80 2auk s THR 129 N -3.27 3.55 0.54 0.02 -4.23 -1.26 -4.80 115.64 106.19 2auk s THR 129 Ca 0.58 0.50 0.23 0.00 -1.18 0.00 0.00 61.69 61.83 2auk s THR 129 Cb -0.12 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.74 2auk s THR 129 CO 0.53 -0.66 2.06 0.00 -0.54 0.00 0.00 174.62 176.01 2auk h ALA 130 N -0.82 2.25 -0.31 3.99 0.00 -1.97 -1.27 119.26 121.12 2auk h ALA 130 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2auk h ALA 130 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2auk h ALA 130 CO 0.60 -0.40 -0.07 0.78 0.00 0.00 0.00 179.25 180.15 2auk h GLY 131 N 0.00 0.65 1.65 0.00 0.00 -1.97 -3.22 103.07 100.18 2auk h GLY 131 Ca 0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 2auk h GLY 131 CO -0.00 0.49 -0.52 -1.33 0.00 0.00 0.00 176.54 175.18 2auk h GLY 132 N 0.37 0.41 -0.40 4.60 0.00 -1.50 -3.15 103.07 103.40 2auk h GLY 132 Ca 0.08 -0.46 0.34 0.00 0.00 0.00 0.00 47.33 47.29 2auk h GLY 132 CO 0.03 0.41 0.82 0.50 0.00 0.00 0.00 176.54 178.30 2auk h LYS 133 N 0.30 0.11 -0.00 4.80 1.57 -1.38 0.39 116.57 122.36 2auk h LYS 133 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2auk h LYS 133 Cb 1.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2auk h LYS 133 CO 0.09 0.07 -0.23 -0.25 -0.57 0.00 0.00 179.45 178.56 2auk n ASP 134 N -4.32 0.58 -4.94 0.86 9.92 -1.19 -4.90 116.55 112.55 2auk n ASP 134 Ca 0.27 -0.47 -0.26 0.00 -0.53 0.00 0.00 54.79 53.80 2auk n ASP 134 Cb 1.18 0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 41.64 2auk n ASP 134 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2auk s LEU 135 N -2.66 4.23 -0.54 0.64 1.43 0.14 -5.07 118.68 116.85 2auk s LEU 135 Ca 0.22 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2auk s LEU 135 Cb 0.19 -3.11 0.15 0.00 0.03 0.00 0.00 46.19 43.45 2auk s LEU 135 CO 0.54 -0.07 0.33 -0.13 0.23 0.00 0.00 176.35 177.25 2auk s ARG 136 N -3.55 1.81 0.32 1.70 1.81 -1.26 -5.03 118.95 114.75 2auk s ARG 136 Ca 0.37 -2.60 -0.29 0.00 -1.72 0.00 0.00 55.73 51.50 2auk s ARG 136 Cb -0.10 -2.89 -0.12 0.00 -0.45 0.00 0.00 34.95 31.38 2auk s ARG 136 CO 0.30 -1.20 1.39 -0.35 -0.68 0.00 0.00 175.30 174.76 2auk n PRO 137 N 2.90 2.26 -3.73 3.54 -0.04 -1.25 -4.64 135.00 134.04 2auk n PRO 137 Ca 0.12 0.80 -0.07 0.00 -0.04 0.00 0.00 63.50 64.31 2auk n PRO 137 Cb 0.35 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 2auk n PRO 137 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2auk s ALA 138 N -0.71 -1.43 -0.23 0.55 0.00 0.16 -1.65 121.76 118.45 2auk s ALA 138 Ca 0.59 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.61 2auk s ALA 138 Cb -0.56 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.38 2auk s ALA 138 CO 0.58 -0.96 -0.14 -0.51 0.00 0.00 0.00 175.76 174.72 2auk s LEU 139 N -2.86 2.91 0.18 0.00 1.43 -0.30 -0.79 118.68 119.25 2auk s LEU 139 Ca 0.09 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2auk s LEU 139 Cb -0.04 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 2auk s LEU 139 CO 0.01 -0.12 0.47 -0.54 0.23 0.00 0.00 176.35 176.40 2auk s LYS 140 N 1.18 3.73 -0.28 1.70 1.02 0.10 -1.43 119.74 125.75 2auk s LYS 140 Ca -0.03 0.12 -0.07 0.00 0.02 0.00 0.00 55.97 56.01 2auk s LYS 140 Cb -0.17 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2auk s LYS 140 CO -0.08 0.40 0.08 0.42 -0.92 0.00 0.00 175.35 175.24 2auk s ILE 141 N -1.71 4.04 0.29 2.17 -1.09 -0.33 0.18 121.20 124.75 2auk s ILE 141 Ca 0.44 -0.57 0.10 0.00 -2.23 0.00 0.00 60.65 58.39 2auk s ILE 141 Cb -0.12 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 2auk s ILE 141 CO 0.22 0.15 -0.07 0.68 -1.23 0.00 0.00 174.94 174.69 2auk s VAL 142 N 1.53 2.87 0.84 2.92 -7.23 0.25 -1.19 120.40 120.38 2auk s VAL 142 Ca 0.04 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 2auk s VAL 142 Cb -0.17 -2.65 0.18 0.00 0.56 0.00 0.00 36.38 34.30 2auk s VAL 142 CO 0.03 -0.33 1.14 1.51 -0.31 0.00 0.00 175.10 177.14 2auk s ASP 143 N -3.63 3.70 0.54 4.85 1.47 -0.07 0.36 116.67 123.89 2auk s ASP 143 Ca 0.32 -0.28 0.31 0.00 1.18 0.00 0.00 52.55 54.07 2auk s ASP 143 Cb -0.04 0.13 1.47 0.00 -0.34 0.00 0.00 42.92 44.14 2auk s ASP 143 CO 0.18 -2.32 1.90 0.00 0.68 0.00 0.00 175.17 175.61 2auk h ALA 144 N -1.01 2.74 -0.33 2.11 0.00 -1.95 0.28 119.26 121.10 2auk h ALA 144 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2auk h ALA 144 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2auk h ALA 144 CO 0.35 -1.02 0.00 1.04 0.00 0.00 0.00 179.25 179.62 2auk n GLN 145 N -4.22 2.04 -0.88 0.00 6.02 -1.26 -4.92 117.38 114.16 2auk n GLN 145 Ca 0.16 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 2auk n GLN 145 Cb 0.89 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.74 2auk n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2auk n GLY 146 N 1.26 0.53 3.84 1.08 0.00 0.98 -5.04 105.19 107.84 2auk n GLY 146 Ca 0.17 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2auk n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2auk s ASN 147 N -2.24 6.79 0.06 1.61 0.01 -1.26 -4.75 114.94 115.17 2auk s ASN 147 Ca 0.00 0.96 -0.35 0.00 -0.71 0.00 0.00 52.86 52.77 2auk s ASN 147 Cb 0.00 -2.25 -0.14 0.00 0.41 0.00 0.00 41.25 39.27 2auk s ASN 147 CO 0.00 0.26 1.64 0.47 -1.51 0.00 0.00 177.10 177.95 2auk n ASP 148 N 1.47 2.96 -4.70 -1.22 9.92 -1.26 -0.89 116.55 122.83 2auk n ASP 148 Ca -0.11 1.06 -0.39 0.00 -0.53 0.00 0.00 54.79 54.81 2auk n ASP 148 Cb 0.52 -1.37 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 2auk n ASP 148 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2auk s VAL 149 N 1.83 5.07 0.19 2.53 1.01 -0.33 -4.84 120.40 125.86 2auk s VAL 149 Ca 0.84 1.25 -0.10 0.00 0.00 0.00 0.00 61.98 63.97 2auk s VAL 149 Cb -0.74 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 31.61 2auk s VAL 149 CO 0.44 0.23 0.52 -0.76 0.00 0.00 0.00 175.10 175.53 2auk s LEU 150 N 1.10 4.23 -0.07 3.92 1.43 -1.26 -0.65 118.68 127.38 2auk s LEU 150 Ca 0.32 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2auk s LEU 150 Cb -0.16 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2auk s LEU 150 CO 0.14 0.00 1.12 -0.63 0.23 0.00 0.00 176.35 177.21 2auk s ILE 151 N -1.68 4.48 0.03 -0.59 1.01 0.91 -4.82 121.20 120.53 2auk s ILE 151 Ca 0.43 1.78 -0.37 0.00 0.00 0.00 0.00 60.65 62.48 2auk s ILE 151 Cb -0.12 -4.14 -0.17 0.00 0.01 0.00 0.00 42.46 38.04 2auk s ILE 151 CO 0.21 0.00 1.39 -0.81 0.00 0.00 0.00 174.94 175.73 2auk n PRO 152 N 5.10 1.09 0.00 2.79 -0.04 -1.26 -1.13 135.00 141.54 2auk n PRO 152 Ca 0.10 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2auk n PRO 152 Cb 0.47 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2auk n PRO 152 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2auk n GLY 153 N 2.72 2.17 0.16 0.55 0.00 -1.26 -4.63 105.19 104.89 2auk n GLY 153 Ca 0.20 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2auk n GLY 153 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2auk h THR 154 N 0.00 0.73 -2.19 2.61 2.02 -1.90 -3.46 112.91 110.71 2auk h THR 154 Ca 0.00 -1.98 -0.37 0.00 0.77 0.00 0.00 66.41 64.83 2auk h THR 154 Cb 0.00 2.33 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 2auk h THR 154 CO 0.00 0.41 -0.40 0.47 0.37 0.00 0.00 175.52 176.36 2auk n ASP 155 N -3.22 -5.06 -4.84 4.18 8.00 -0.29 -4.95 116.55 110.37 2auk n ASP 155 Ca 0.02 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.40 2auk n ASP 155 Cb 0.69 -4.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.35 2auk n ASP 155 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2auk s MET 156 N -4.30 3.86 0.17 -1.24 1.75 -1.25 -4.80 119.30 113.50 2auk s MET 156 Ca 0.00 0.35 -0.31 0.00 -1.25 0.00 0.00 55.69 54.47 2auk s MET 156 Cb 0.00 -3.19 -0.10 0.00 2.84 0.00 0.00 34.83 34.38 2auk s MET 156 CO 0.00 0.68 1.56 -2.14 -0.65 0.00 0.00 175.02 174.47 2auk s PRO 157 N -1.19 4.22 -0.78 4.11 0.02 -1.26 -0.06 135.00 140.05 2auk s PRO 157 Ca 0.24 2.36 -0.25 0.00 0.02 0.00 0.00 61.00 63.37 2auk s PRO 157 Cb -0.16 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 2auk s PRO 157 CO 0.13 -0.60 1.94 0.00 -0.33 0.00 0.00 177.00 178.15 2auk s ALA 158 N 1.05 1.82 -0.16 -1.55 0.00 0.18 -4.82 121.76 118.28 2auk s ALA 158 Ca 0.69 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 2auk s ALA 158 Cb -0.44 -4.45 0.06 0.00 0.00 0.00 0.00 23.12 18.28 2auk s ALA 158 CO 0.32 -4.50 0.08 -1.14 0.00 0.00 0.00 175.76 170.53 2auk s GLN 159 N 7.13 0.08 -0.39 0.00 0.74 -1.26 -1.18 119.66 124.78 2auk s GLN 159 Ca 0.71 -0.04 -0.16 0.00 0.05 0.00 0.00 55.36 55.91 2auk s GLN 159 Cb -0.09 -1.69 0.01 0.00 1.10 0.00 0.00 33.01 32.33 2auk s GLN 159 CO 0.08 -0.63 0.37 0.71 -0.55 0.00 0.00 175.29 175.28 2auk s TYR 160 N 2.13 3.20 0.29 1.67 1.51 -0.51 -4.92 117.35 120.71 2auk s TYR 160 Ca 0.02 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.51 2auk s TYR 160 Cb -0.16 -2.73 -0.09 0.00 -0.11 0.00 0.00 41.96 38.87 2auk s TYR 160 CO -0.08 -0.57 1.01 -0.06 -1.11 0.00 0.00 175.55 174.74 2auk s PHE 161 N 1.98 3.71 -0.24 2.71 0.08 -1.26 -1.15 117.98 123.82 2auk s PHE 161 Ca 0.10 1.79 -0.07 0.00 0.12 0.00 0.00 56.93 58.87 2auk s PHE 161 Cb -0.17 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 2auk s PHE 161 CO 0.12 -0.06 0.06 -0.51 -0.10 0.00 0.00 175.22 174.73 2auk s LEU 162 N -1.59 3.48 0.89 -0.37 1.43 -0.66 -4.96 118.68 116.90 2auk s LEU 162 Ca 0.46 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 2auk s LEU 162 Cb -0.26 -1.92 0.13 0.00 0.03 0.00 0.00 46.19 44.16 2auk s LEU 162 CO 0.33 0.00 1.12 -2.16 0.23 0.00 0.00 176.35 175.87 2auk s PRO 163 N 1.38 1.31 0.50 1.29 0.04 -1.26 -4.73 135.00 133.53 2auk s PRO 163 Ca 0.05 0.45 -0.23 0.00 0.04 0.00 0.00 61.00 61.31 2auk s PRO 163 Cb -0.15 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2auk s PRO 163 CO 0.03 -2.11 1.34 0.20 0.04 0.00 0.00 177.00 176.50 2auk s GLY 164 N -3.88 2.88 0.00 0.56 0.00 -1.26 -2.57 107.32 103.05 2auk s GLY 164 Ca 0.63 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.64 2auk s GLY 164 CO 0.54 1.82 0.00 0.28 0.00 0.00 0.00 173.10 175.75 2auk n LYS 165 N -0.68 0.00 -1.97 2.90 5.02 0.14 -4.87 118.16 118.70 2auk n LYS 165 Ca 0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.99 2auk n LYS 165 Cb 0.45 -1.05 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 2auk n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2auk s ALA 166 N -2.31 2.98 -0.07 7.82 0.00 -1.06 -4.63 121.76 124.48 2auk s ALA 166 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.18 2auk s ALA 166 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2auk s ALA 166 CO 0.00 -1.05 -0.09 0.42 0.00 0.00 0.00 175.76 175.04 2auk s ILE 167 N -1.36 3.50 -0.10 0.00 1.01 0.24 -1.04 121.20 123.44 2auk s ILE 167 Ca 0.66 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2auk s ILE 167 Cb -0.37 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2auk s ILE 167 CO 0.45 0.58 -0.20 -0.69 0.00 0.00 0.00 174.94 175.08 2auk s VAL 168 N -0.62 2.45 0.00 2.92 1.01 -0.23 -1.25 120.40 124.68 2auk s VAL 168 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2auk s VAL 168 Cb -0.11 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2auk s VAL 168 CO 0.02 0.55 0.69 0.00 0.00 0.00 0.00 175.10 176.36 2auk n GLN 169 N 3.42 0.84 -3.39 2.72 6.02 -1.26 -2.81 117.38 122.91 2auk n GLN 169 Ca -0.18 -0.91 -0.27 0.00 -0.01 0.00 0.00 57.00 55.62 2auk n GLN 169 Cb 0.53 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.81 2auk n GLN 169 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2auk s LEU 170 N -0.44 4.07 0.06 1.08 1.02 -1.26 -5.09 118.68 118.12 2auk s LEU 170 Ca 0.00 0.61 -0.05 0.00 0.02 0.00 0.00 54.13 54.72 2auk s LEU 170 Cb 0.00 -3.43 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 2auk s LEU 170 CO 0.00 -0.19 0.29 -0.70 0.02 0.00 0.00 176.35 175.77 2auk s GLU 171 N -3.67 3.57 0.32 1.70 2.56 -1.26 -5.05 118.70 116.87 2auk s GLU 171 Ca 0.42 -0.15 -0.29 0.00 0.00 0.00 0.00 54.97 54.96 2auk s GLU 171 Cb -0.11 -3.01 -0.12 0.00 2.00 0.00 0.00 34.13 32.90 2auk s GLU 171 CO 0.31 0.59 1.45 -3.47 -0.56 0.00 0.00 175.26 173.59 2auk n ASP 172 N 0.67 3.36 0.00 -1.70 2.03 -1.26 -2.42 116.55 117.23 2auk n ASP 172 Ca -0.08 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2auk n ASP 172 Cb 0.52 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 2auk n ASP 172 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2auk n GLY 173 N 1.35 2.81 3.68 0.27 0.00 0.20 -5.01 105.19 108.49 2auk n GLY 173 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2auk n GLY 173 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2auk n VAL 174 N -2.00 2.45 -2.03 1.61 3.14 -1.01 -4.24 118.33 116.25 2auk n VAL 174 Ca 0.00 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.50 2auk n VAL 174 Cb 0.00 -1.47 0.01 0.00 -1.06 0.00 0.00 33.84 31.32 2auk n VAL 174 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2auk s GLN 175 N -2.11 3.62 0.05 1.45 0.74 -1.26 -1.36 119.66 120.80 2auk s GLN 175 Ca 0.61 2.06 -0.07 0.00 0.05 0.00 0.00 55.36 58.01 2auk s GLN 175 Cb -0.53 -2.48 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 2auk s GLN 175 CO 0.58 -0.75 0.12 -1.50 -0.55 0.00 0.00 175.29 173.20 2auk s ILE 176 N -1.37 0.14 0.11 -2.34 2.07 0.55 -4.87 121.20 115.50 2auk s ILE 176 Ca 0.64 -1.16 0.10 0.00 -1.41 0.00 0.00 60.65 58.81 2auk s ILE 176 Cb -0.36 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.10 2auk s ILE 176 CO 0.44 -0.64 -0.24 -0.55 -1.91 0.00 0.00 174.94 172.04 2auk s SER 177 N -2.41 2.93 0.27 4.50 0.15 -1.26 -0.92 113.70 116.96 2auk s SER 177 Ca -0.01 -0.71 -0.29 0.00 0.70 0.00 0.00 55.95 55.64 2auk s SER 177 Cb 0.02 -0.18 -0.14 0.00 -1.71 0.00 0.00 66.02 64.01 2auk s SER 177 CO -0.07 0.12 1.18 -1.54 1.20 0.00 0.00 173.24 174.13 2auk n SER 178 N 1.03 1.93 0.00 5.45 3.41 -1.21 -1.41 113.62 122.82 2auk n SER 178 Ca -0.19 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2auk n SER 178 Cb 0.53 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2auk n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2auk n GLY 179 N 1.44 0.93 3.78 5.00 0.00 0.04 -3.84 105.19 112.54 2auk n GLY 179 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2auk n GLY 179 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2auk s ASP 180 N -2.50 7.20 0.18 1.61 1.01 -0.50 -4.72 116.67 118.96 2auk s ASP 180 Ca 0.00 1.93 -0.30 0.00 0.71 0.00 0.00 52.55 54.89 2auk s ASP 180 Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2auk s ASP 180 CO 0.00 -0.17 1.05 -0.89 0.21 0.00 0.00 175.17 175.37 2auk s THR 181 N -1.57 3.97 -0.19 -1.27 2.01 -1.26 -2.22 115.64 115.10 2auk s THR 181 Ca 0.51 1.75 0.06 0.00 0.31 0.00 0.00 61.69 64.32 2auk s THR 181 Cb -0.21 -4.12 -0.16 0.00 0.01 0.00 0.00 72.50 68.02 2auk s THR 181 CO 0.27 0.32 -0.10 0.18 -0.69 0.00 0.00 174.62 174.60 2auk n LEU 182 N 2.20 1.93 -3.88 4.42 4.77 0.80 -4.94 117.00 122.29 2auk n LEU 182 Ca 0.02 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.85 2auk n LEU 182 Cb 0.47 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2auk n LEU 182 CO 0.53 0.70 0.40 0.00 -1.33 0.00 0.00 177.39 177.69 2auk s ALA 183 N -2.41 -1.01 -0.01 -1.18 0.00 -1.18 -4.29 121.76 111.68 2auk s ALA 183 Ca -0.21 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2auk s ALA 183 Cb 0.06 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 2auk s ALA 183 CO 0.55 -0.99 -0.10 1.03 0.00 0.00 0.00 175.76 176.25 2auk s ARG 184 N -3.94 0.84 -0.11 0.00 0.52 -0.38 -1.37 118.95 114.51 2auk s ARG 184 Ca 0.13 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2auk s ARG 184 Cb -0.05 -0.81 -0.02 0.00 0.52 0.00 0.00 34.95 34.60 2auk s ARG 184 CO 0.07 0.19 -0.11 0.42 0.02 0.00 0.00 175.30 175.88 2auk s ILE 185 N -0.12 3.24 0.49 1.52 1.01 0.42 -0.59 121.20 127.17 2auk s ILE 185 Ca 0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2auk s ILE 185 Cb -0.05 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 2auk s ILE 185 CO -0.00 0.54 0.98 -2.16 0.00 0.00 0.00 174.94 174.30 2auk s PRO 186 N 0.00 4.00 0.00 2.79 0.05 -1.26 0.16 135.00 140.74 2auk s PRO 186 Ca -0.03 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.08 2auk s PRO 186 Cb -0.14 -2.14 0.00 0.00 0.05 0.00 0.00 34.50 32.27 2auk s PRO 186 CO 0.04 -0.23 0.00 1.04 0.05 0.00 0.00 177.00 177.90 2auk n GLN 187 N -1.24 2.06 -1.70 4.56 1.13 -0.50 -4.85 117.38 116.84 2auk n GLN 187 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2auk n GLN 187 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 2auk n GLN 187 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2auk n GLU 188 N -0.07 -1.14 0.00 -1.09 -0.58 -1.26 -5.02 120.64 111.48 2auk n GLU 188 Ca 0.00 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 2auk n GLU 188 Cb 0.00 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2auk n GLU 188 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10