#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ned s THR 2 N 0.00 0.00 -0.11 1.09 2.01 -1.26 -0.91 115.64 116.47 1ned s THR 2 Ca 0.00 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1ned s THR 2 Cb 0.00 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.77 1ned s THR 2 CO 0.00 -0.01 0.28 -0.63 -0.69 0.00 0.00 174.62 173.57 1ned s ILE 3 N 0.18 -0.00 0.30 1.82 1.01 -0.66 -2.40 121.20 121.46 1ned s ILE 3 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.69 1ned s ILE 3 Cb -0.04 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1ned s ILE 3 CO 0.01 0.00 0.01 0.68 0.00 0.00 0.00 174.94 175.64 1ned s VAL 4 N 0.15 1.35 -0.01 2.92 -7.23 0.92 -1.19 120.40 117.32 1ned s VAL 4 Ca -0.00 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 1ned s VAL 4 Cb -0.02 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.32 1ned s VAL 4 CO 0.00 -0.14 0.42 -0.55 -0.31 0.00 0.00 175.10 174.52 1ned s SER 5 N -3.46 -0.31 0.13 4.85 0.15 0.13 -0.74 113.70 114.44 1ned s SER 5 Ca 0.33 0.20 -0.13 0.00 0.70 0.00 0.00 55.95 57.05 1ned s SER 5 Cb 0.07 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1ned s SER 5 CO 0.14 -0.54 0.33 -0.69 1.20 0.00 0.00 173.24 173.68 1ned s VAL 6 N -1.58 0.09 -0.18 4.45 1.01 -0.71 -2.80 120.40 120.68 1ned s VAL 6 Ca -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1ned s VAL 6 Cb -0.03 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1ned s VAL 6 CO 0.04 -0.40 0.15 -0.60 0.00 0.00 0.00 175.10 174.29 1ned s ARG 7 N -3.85 0.11 -0.06 2.72 3.52 -1.26 -0.85 118.95 119.29 1ned s ARG 7 Ca 0.06 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1ned s ARG 7 Cb 0.03 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1ned s ARG 7 CO -0.09 -0.64 -0.03 1.03 -0.81 0.00 0.00 175.30 174.76 1ned s ARG 8 N 2.23 0.77 5.82 5.12 1.81 -0.48 -4.99 118.95 129.23 1ned s ARG 8 Ca 0.04 -0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 1ned s ARG 8 Cb -0.16 -0.92 0.00 0.00 -0.45 0.00 0.00 34.95 33.43 1ned s ARG 8 CO -0.10 -0.18 0.00 0.09 -0.68 0.00 0.00 175.30 174.43 1ned n ASN 9 N 4.51 0.00 -2.72 0.23 3.02 -1.26 -1.74 115.26 117.30 1ned n ASN 9 Ca -0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 1ned n ASN 9 Cb 0.50 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1ned n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ned n GLY 10 N 0.00 5.67 3.07 7.41 0.00 -1.26 -4.89 105.19 115.20 1ned n GLY 10 Ca 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 1ned n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ned s HIS 11 N -3.96 -0.44 -0.04 1.61 3.76 -0.71 -1.70 115.29 113.80 1ned s HIS 11 Ca 0.55 0.99 0.07 0.00 -0.15 0.00 0.00 55.06 56.51 1ned s HIS 11 Cb 0.45 0.05 -0.01 0.00 1.11 0.00 0.00 32.58 34.18 1ned s HIS 11 CO -0.29 -0.32 -0.25 0.54 -0.85 0.00 0.00 174.74 173.57 1ned s VAL 12 N 1.93 2.09 0.06 -0.90 0.11 -0.86 -1.39 120.40 121.44 1ned s VAL 12 Ca -0.04 -1.07 0.04 0.00 -2.93 0.00 0.00 61.98 57.98 1ned s VAL 12 Cb -0.11 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1ned s VAL 12 CO -0.09 0.57 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.45 1ned s VAL 13 N -0.35 0.82 -0.05 2.04 1.01 -0.03 -1.60 120.40 122.24 1ned s VAL 13 Ca 0.02 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.79 1ned s VAL 13 Cb -0.12 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1ned s VAL 13 CO 0.02 -0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 174.06 1ned s ILE 14 N -1.44 0.90 -0.08 2.22 1.01 -0.35 -1.74 121.20 121.72 1ned s ILE 14 Ca -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1ned s ILE 14 Cb -0.09 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.58 1ned s ILE 14 CO 0.01 0.29 0.18 0.00 0.00 0.00 0.00 174.94 175.43 1ned s ALA 15 N 0.58 -0.39 0.12 9.38 0.00 0.08 -1.52 121.76 130.01 1ned s ALA 15 Ca -0.11 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1ned s ALA 15 Cb -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1ned s ALA 15 CO 0.02 -0.15 0.00 0.20 0.00 0.00 0.00 175.76 175.83 1ned s GLY 16 N 0.91 0.93 0.00 0.00 0.00 -0.85 -0.05 107.32 108.26 1ned s GLY 16 Ca -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1ned s GLY 16 CO -0.05 -1.42 0.00 2.09 0.00 0.00 0.00 173.10 173.72 1ned n ASP 17 N -0.09 0.00 -1.46 1.64 5.75 -1.01 -1.42 116.55 119.96 1ned n ASP 17 Ca -0.08 -0.24 0.01 0.00 -0.01 0.00 0.00 54.79 54.46 1ned n ASP 17 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1ned n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ned n GLY 18 N 5.00 0.93 3.64 6.12 0.00 -1.19 -4.26 105.19 115.43 1ned n GLY 18 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1ned n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ned s GLN 19 N -0.19 4.09 -1.11 1.61 0.74 -1.26 0.08 119.66 123.61 1ned s GLN 19 Ca 0.25 0.99 -0.12 0.00 0.05 0.00 0.00 55.36 56.53 1ned s GLN 19 Cb 0.29 -3.70 0.23 0.00 1.10 0.00 0.00 33.01 30.92 1ned s GLN 19 CO -0.12 -0.74 1.20 0.00 -0.55 0.00 0.00 175.29 175.08 1ned s ALA 20 N 3.28 4.35 0.31 1.58 0.00 0.18 -4.55 121.76 126.90 1ned s ALA 20 Ca 0.40 -3.57 -0.16 0.00 0.00 0.00 0.00 51.96 48.63 1ned s ALA 20 Cb -0.14 -3.79 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 1ned s ALA 20 CO 0.12 -2.46 0.75 -0.08 0.00 0.00 0.00 175.76 174.09 1ned s THR 21 N 0.09 4.64 -0.18 0.00 -1.32 -1.26 -0.02 115.64 117.58 1ned s THR 21 Ca 0.34 1.05 -0.06 0.00 -1.21 0.00 0.00 61.69 61.81 1ned s THR 21 Cb -0.07 -3.66 0.09 0.00 -1.51 0.00 0.00 72.50 67.34 1ned s THR 21 CO -0.05 -0.11 0.37 -0.22 -2.21 0.00 0.00 174.62 172.40 1ned s LEU 22 N -2.78 -0.55 0.00 9.08 0.20 0.11 -4.84 118.68 119.88 1ned s LEU 22 Ca 0.52 0.84 0.00 0.00 0.69 0.00 0.00 54.13 56.18 1ned s LEU 22 Cb -0.11 1.16 0.00 0.00 -0.43 0.00 0.00 46.19 46.81 1ned s LEU 22 CO 0.18 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.61 1ned n GLY 23 N 5.38 0.94 0.67 7.98 0.00 -1.26 -0.41 105.19 118.49 1ned n GLY 23 Ca -0.08 0.56 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 1ned n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ned n ASN 24 N 2.43 -0.41 -3.92 1.61 6.94 -1.26 -5.11 115.26 115.54 1ned n ASN 24 Ca 0.00 -1.28 -0.18 0.00 -0.02 0.00 0.00 54.58 53.10 1ned n ASN 24 Cb 0.00 0.12 -0.15 0.00 -2.36 0.00 0.00 39.78 37.39 1ned n ASN 24 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ned s THR 25 N 0.00 0.45 -0.30 5.53 -1.32 0.46 -5.11 115.64 115.35 1ned s THR 25 Ca 0.00 -0.16 -0.27 0.00 -1.21 0.00 0.00 61.69 60.05 1ned s THR 25 Cb 0.00 -0.44 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 1ned s THR 25 CO 0.00 0.17 0.97 -0.69 -2.21 0.00 0.00 174.62 172.85 1ned s VAL 26 N 0.40 4.64 0.02 5.08 1.01 -1.26 -0.72 120.40 129.58 1ned s VAL 26 Ca -0.05 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.62 1ned s VAL 26 Cb -0.08 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 1ned s VAL 26 CO -0.00 -0.34 0.90 0.00 0.00 0.00 0.00 175.10 175.66 1ned h MET 27 N 7.98 0.03 -3.49 2.72 -0.00 -0.77 -3.48 114.93 117.92 1ned h MET 27 Ca -0.22 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.39 1ned h MET 27 Cb 1.07 0.02 -0.11 0.00 -0.00 0.00 0.00 31.60 32.58 1ned h MET 27 CO 0.97 0.74 -0.10 0.21 -0.00 0.00 0.00 176.91 178.73 1ned s LYS 28 N -2.64 1.24 -0.41 -0.10 2.20 -1.18 -5.02 119.74 113.83 1ned s LYS 28 Ca -0.03 -0.92 0.10 0.00 -0.36 0.00 0.00 55.97 54.76 1ned s LYS 28 Cb 0.09 0.47 0.36 0.00 -1.51 0.00 0.00 37.83 37.23 1ned s LYS 28 CO 0.82 -0.50 1.05 0.41 -0.36 0.00 0.00 175.35 176.77 1ned n GLY 29 N -0.27 1.64 0.90 5.54 0.00 -1.24 0.48 105.19 112.23 1ned n GLY 29 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1ned n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ned n ASN 30 N 0.09 -0.63 -4.74 1.61 0.23 0.11 -4.71 115.26 107.22 1ned n ASN 30 Ca 0.09 -1.26 -0.41 0.00 -0.53 0.00 0.00 54.58 52.47 1ned n ASN 30 Cb 0.73 0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 38.60 1ned n ASN 30 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1ned s VAL 31 N 0.01 3.68 -0.63 3.53 -7.23 -0.83 -4.95 120.40 113.98 1ned s VAL 31 Ca 0.00 1.50 -0.24 0.00 -1.81 0.00 0.00 61.98 61.44 1ned s VAL 31 Cb 0.02 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 33.05 1ned s VAL 31 CO -0.01 0.28 1.00 -0.54 -0.31 0.00 0.00 175.10 175.53 1ned s LYS 32 N -0.66 3.22 0.18 4.82 3.01 -1.26 -4.16 119.74 124.88 1ned s LYS 32 Ca 0.49 -0.50 0.23 0.00 -1.01 0.00 0.00 55.97 55.18 1ned s LYS 32 Cb -0.31 -4.15 0.17 0.00 -1.01 0.00 0.00 37.83 32.53 1ned s LYS 32 CO 0.37 -1.73 1.20 0.87 0.51 0.00 0.00 175.35 176.57 1ned h LYS 33 N 9.53 0.00 -6.18 1.68 1.57 -1.90 -3.46 116.57 117.81 1ned h LYS 33 Ca -0.28 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.83 1ned h LYS 33 Cb 1.07 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.21 1ned h LYS 33 CO 1.16 0.00 -0.68 0.08 -0.57 0.00 0.00 179.45 179.44 1ned s VAL 34 N -3.27 3.82 0.37 0.50 1.01 -1.26 -1.71 120.40 119.86 1ned s VAL 34 Ca 0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1ned s VAL 34 Cb 0.11 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.92 1ned s VAL 34 CO 0.75 0.49 0.73 -2.11 0.00 0.00 0.00 175.10 174.97 1ned n ARG 35 N 1.86 1.05 -4.50 2.72 1.85 -0.69 -4.92 116.66 114.03 1ned n ARG 35 Ca -0.17 -2.13 -0.28 0.00 -1.00 0.00 0.00 57.85 54.27 1ned n ARG 35 Cb 0.53 2.62 -0.13 0.00 -1.05 0.00 0.00 32.46 34.42 1ned n ARG 35 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1ned s ARG 36 N -2.13 1.41 0.21 2.89 1.70 -1.26 -1.35 118.95 120.43 1ned s ARG 36 Ca 0.16 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 1ned s ARG 36 Cb -0.04 -1.74 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 1ned s ARG 36 CO 0.12 0.42 0.04 1.28 -1.08 0.00 0.00 175.30 176.08 1ned n LEU 37 N 1.25 0.00 -3.00 -1.89 4.77 0.80 -4.87 117.00 114.06 1ned n LEU 37 Ca -0.18 -1.28 -0.08 0.00 -0.03 0.00 0.00 56.01 54.44 1ned n LEU 37 Cb 0.53 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ned n LEU 37 CO 0.23 -0.24 -0.07 0.00 -1.33 0.00 0.00 177.39 175.98 1ned n TYR 38 N -0.65 -0.55 -4.04 -1.77 4.19 -1.26 -2.11 117.16 110.97 1ned n TYR 38 Ca -0.07 0.21 -0.44 0.00 3.31 0.00 0.00 57.90 60.91 1ned n TYR 38 Cb 0.26 -0.79 0.02 0.00 0.49 0.00 0.00 39.34 39.33 1ned n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ned n ASN 38 N -0.34 -4.25 -3.34 2.98 4.13 -1.26 -2.21 115.26 110.97 1ned n ASN 38 Ca -0.09 -1.26 -0.24 0.00 1.68 0.00 0.00 54.58 54.67 1ned n ASN 38 Cb 0.20 -1.69 0.03 0.00 -1.54 0.00 0.00 39.78 36.78 1ned n ASN 38 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ned n ASP 39 N -2.21 -5.50 -0.03 6.41 9.92 -0.90 -4.85 116.55 119.40 1ned n ASP 39 Ca -0.13 -0.43 -0.03 0.00 -0.53 0.00 0.00 54.79 53.66 1ned n ASP 39 Cb 0.58 -4.42 -0.03 0.00 -0.64 0.00 0.00 41.12 36.60 1ned n ASP 39 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ned n LYS 40 N -4.26 1.77 -5.03 -1.24 3.00 -0.94 -5.02 118.16 106.44 1ned n LYS 40 Ca -0.05 0.01 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1ned n LYS 40 Cb 0.58 -1.11 -0.16 0.00 0.00 0.00 0.00 35.03 34.33 1ned n LYS 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ned s VAL 41 N -2.11 1.72 0.35 3.15 1.01 -1.24 -4.48 120.40 118.80 1ned s VAL 41 Ca -0.05 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1ned s VAL 41 Cb 0.02 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1ned s VAL 41 CO 0.16 0.49 0.37 -0.63 0.00 0.00 0.00 175.10 175.48 1ned s ILE 42 N 0.06 3.58 0.18 2.22 1.01 -0.09 -0.14 121.20 128.01 1ned s ILE 42 Ca -0.07 -1.23 -0.23 0.00 0.00 0.00 0.00 60.65 59.12 1ned s ILE 42 Cb -0.14 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.17 1ned s ILE 42 CO 0.04 -0.14 0.73 0.00 0.00 0.00 0.00 174.94 175.57 1ned s ALA 43 N -2.29 -1.49 -0.06 9.38 0.00 -0.45 -1.36 121.76 125.49 1ned s ALA 43 Ca 0.44 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 1ned s ALA 43 Cb -0.07 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1ned s ALA 43 CO 0.28 -0.90 0.22 0.20 0.00 0.00 0.00 175.76 175.57 1ned s GLY 44 N -2.81 -0.12 0.20 0.00 0.00 0.11 -1.70 107.32 103.01 1ned s GLY 44 Ca 0.07 0.44 0.09 0.00 0.00 0.00 0.00 44.72 45.31 1ned s GLY 44 CO -0.03 0.32 -0.17 -0.11 0.00 0.00 0.00 173.10 173.11 1ned s PHE 45 N -0.43 1.88 -0.13 1.90 -0.71 -0.69 -0.01 117.98 119.79 1ned s PHE 45 Ca -0.05 -0.48 0.02 0.00 -1.04 0.00 0.00 56.93 55.38 1ned s PHE 45 Cb -0.04 -0.89 0.01 0.00 -1.21 0.00 0.00 43.02 40.90 1ned s PHE 45 CO 0.01 0.42 -0.18 0.00 -1.34 0.00 0.00 175.22 174.13 1ned s ALA 46 N -2.49 1.99 0.00 1.99 0.00 -0.25 -4.82 121.76 118.18 1ned s ALA 46 Ca 0.21 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1ned s ALA 46 Cb -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1ned s ALA 46 CO 0.08 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ned n GLY 47 N 4.22 0.27 3.41 0.00 0.00 -1.26 -2.98 105.19 108.86 1ned n GLY 47 Ca -0.19 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1ned n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ned s GLY 48 N 0.00 1.74 0.00 -0.02 0.00 -1.26 -5.00 107.32 102.78 1ned s GLY 48 Ca 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1ned s GLY 48 CO 0.00 0.53 0.01 2.41 0.00 0.00 0.00 173.10 176.05 1ned n THR 49 N 4.90 -0.00 0.00 0.90 -1.04 -1.26 -2.01 114.28 115.77 1ned n THR 49 Ca -0.16 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1ned n THR 49 Cb 0.51 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1ned n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ned n ALA 50 N -3.94 -0.04 -0.32 2.41 0.00 -1.26 -0.62 120.51 116.74 1ned n ALA 50 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1ned n ALA 50 Cb 0.00 0.09 0.27 0.00 0.00 0.00 0.00 19.45 19.81 1ned n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ned n ASP 51 N -0.87 -0.11 0.19 0.00 8.00 -0.85 0.13 116.55 123.03 1ned n ASP 51 Ca 0.00 1.56 -0.17 0.00 0.71 0.00 0.00 54.79 56.89 1ned n ASP 51 Cb 0.00 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 1ned n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ned h ALA 52 N 1.84 -1.04 -0.64 2.24 0.00 -1.41 0.74 119.26 121.00 1ned h ALA 52 Ca 0.56 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1ned h ALA 52 Cb 1.14 0.82 -0.09 0.00 0.00 0.00 0.00 17.79 19.66 1ned h ALA 52 CO -0.87 -1.14 0.14 0.74 0.00 0.00 0.00 179.25 178.12 1ned h PHE 53 N -0.86 0.23 -0.23 0.00 -1.00 0.35 0.48 116.94 115.90 1ned h PHE 53 Ca -0.03 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.83 1ned h PHE 53 Cb 0.81 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1ned h PHE 53 CO -0.37 -0.04 -0.02 1.15 -1.61 0.00 0.00 178.31 177.42 1ned h THR 54 N 0.27 0.81 0.29 -1.55 2.02 -0.32 -0.15 112.91 114.27 1ned h THR 54 Ca 0.34 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 1ned h THR 54 Cb 0.53 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ned h THR 54 CO -0.43 0.01 -0.14 -0.07 0.37 0.00 0.00 175.52 175.26 1ned h LEU 55 N 0.04 -0.33 -0.61 2.58 4.07 0.10 -0.90 115.31 120.27 1ned h LEU 55 Ca 0.11 -0.10 0.10 0.00 0.08 0.00 0.00 57.88 58.08 1ned h LEU 55 Cb 0.15 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.90 1ned h LEU 55 CO -0.21 -0.10 0.19 -0.26 -1.08 0.00 0.00 178.44 176.98 1ned h PHE 56 N -0.55 0.32 0.58 1.13 0.04 0.01 0.66 116.94 119.13 1ned h PHE 56 Ca -0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1ned h PHE 56 Cb 0.41 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1ned h PHE 56 CO -0.01 0.04 -0.33 0.93 -0.60 0.00 0.00 178.31 178.34 1ned h GLU 57 N 0.34 -0.82 -0.91 1.51 5.08 -0.91 0.52 114.58 119.40 1ned h GLU 57 Ca 0.31 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.95 1ned h GLU 57 Cb 0.43 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 1ned h GLU 57 CO -0.35 -0.54 0.43 1.25 -1.00 0.00 0.00 179.01 178.79 1ned h LEU 58 N -0.85 0.39 -0.49 1.33 5.85 -0.67 0.55 115.31 121.43 1ned h LEU 58 Ca -0.08 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1ned h LEU 58 Cb 0.67 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1ned h LEU 58 CO 0.10 0.02 -0.01 0.15 -0.34 0.00 0.00 178.44 178.37 1ned h PHE 59 N 0.44 0.94 0.00 1.25 3.57 0.62 0.17 116.94 123.94 1ned h PHE 59 Ca 0.57 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1ned h PHE 59 Cb 1.07 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1ned h PHE 59 CO -0.11 0.89 -0.18 1.49 -2.23 0.00 0.00 178.31 178.17 1ned h GLU 60 N 0.72 0.00 0.29 1.11 4.81 0.47 0.86 114.58 122.84 1ned h GLU 60 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1ned h GLU 60 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ned h GLU 60 CO 0.03 0.18 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.25 1ned h ARG 61 N 0.00 -0.38 0.00 1.92 9.65 0.71 -1.77 114.38 124.51 1ned h ARG 61 Ca -0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1ned h ARG 61 Cb 0.60 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1ned h ARG 61 CO 0.02 -0.04 0.07 0.87 2.80 0.00 0.00 179.97 183.70 1ned h LYS 62 N -0.87 0.00 0.20 0.20 1.79 -0.56 -0.95 116.57 116.38 1ned h LYS 62 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1ned h LYS 62 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1ned h LYS 62 CO 0.07 0.00 -0.09 1.25 -1.08 0.00 0.00 179.45 179.59 1ned h LEU 63 N 0.00 -0.22 -1.38 2.94 5.85 -0.35 -3.19 115.31 118.96 1ned h LEU 63 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1ned h LEU 63 Cb 0.15 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1ned h LEU 63 CO 0.00 0.07 0.51 1.05 -0.34 0.00 0.00 178.44 179.73 1ned h GLU 64 N -0.73 0.67 0.00 1.25 4.11 -0.81 0.28 114.58 119.35 1ned h GLU 64 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1ned h GLU 64 Cb 0.20 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ned h GLU 64 CO 0.04 0.45 0.00 -0.12 0.07 0.00 0.00 179.01 179.45 1ned n MET 65 N -4.50 0.29 -0.87 1.06 1.56 -0.41 -1.17 117.12 113.08 1ned n MET 65 Ca 0.13 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1ned n MET 65 Cb 0.33 -1.24 -0.01 0.00 2.15 0.00 0.00 33.22 34.45 1ned n MET 65 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1ned n HIS 66 N -0.74 0.00 0.00 1.12 8.25 0.05 -5.01 115.22 118.89 1ned n HIS 66 Ca 0.03 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1ned n HIS 66 Cb 0.02 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1ned n HIS 66 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ned n GLN 67 N 0.13 0.00 -0.72 -0.41 -0.06 -0.31 -2.69 117.38 113.32 1ned n GLN 67 Ca -0.04 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.93 1ned n GLN 67 Cb 0.77 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.93 1ned n GLN 67 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ned n GLY 74 N 0.00 0.79 3.53 1.69 0.00 -1.26 -4.41 105.19 105.52 1ned n GLY 74 Ca 0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1ned n GLY 74 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ned s HIS 75 N 0.00 3.00 0.07 1.61 2.46 -1.10 -4.86 115.29 116.47 1ned s HIS 75 Ca 0.02 -1.64 -0.13 0.00 0.47 0.00 0.00 55.06 53.78 1ned s HIS 75 Cb 0.02 -4.56 -0.03 0.00 -0.13 0.00 0.00 32.58 27.88 1ned s HIS 75 CO -0.01 -1.67 1.01 -0.11 -2.47 0.00 0.00 174.74 171.50 1ned n LEU 76 N 7.41 -0.45 -0.09 8.88 7.94 -1.26 -1.41 117.00 138.02 1ned n LEU 76 Ca 0.40 1.11 -0.02 0.00 -1.11 0.00 0.00 56.01 56.39 1ned n LEU 76 Cb 0.46 -0.28 -0.02 0.00 0.53 0.00 0.00 43.42 44.11 1ned n LEU 76 CO 0.68 -0.79 0.42 0.52 -1.11 0.00 0.00 177.39 177.10 1ned n VAL 77 N -3.97 -0.14 -0.03 1.96 0.31 -1.26 -0.51 118.33 114.69 1ned n VAL 77 Ca 0.01 1.47 -0.09 0.00 -0.01 0.00 0.00 64.34 65.71 1ned n VAL 77 Cb 0.11 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.10 1ned n VAL 77 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ned h LYS 78 N 0.00 0.03 -0.75 5.55 3.64 -1.71 0.14 116.57 123.47 1ned h LYS 78 Ca 0.03 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 1ned h LYS 78 Cb 0.08 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.76 1ned h LYS 78 CO -0.19 0.02 -0.13 0.00 -2.27 0.00 0.00 179.45 176.87 1ned h ALA 79 N 1.16 0.58 -0.03 5.00 0.00 0.13 0.54 119.26 126.63 1ned h ALA 79 Ca 0.08 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ned h ALA 79 Cb 0.11 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ned h ALA 79 CO -0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 179.25 178.61 1ned h ALA 80 N 1.74 -0.04 -0.02 0.00 0.00 0.79 -0.44 119.26 121.29 1ned h ALA 80 Ca 0.37 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1ned h ALA 80 Cb 0.60 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1ned h ALA 80 CO -0.74 -0.55 -0.14 0.28 0.00 0.00 0.00 179.25 178.10 1ned h VAL 81 N -0.10 0.65 -0.74 0.00 2.07 0.25 0.46 116.25 118.84 1ned h VAL 81 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1ned h VAL 81 Cb 0.15 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1ned h VAL 81 CO -0.09 0.00 0.40 -0.08 0.02 0.00 0.00 177.57 177.82 1ned h GLU 82 N -0.22 0.69 0.86 1.57 4.57 0.03 -1.60 114.58 120.47 1ned h GLU 82 Ca 0.05 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1ned h GLU 82 Cb 0.29 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1ned h GLU 82 CO -0.15 0.45 -0.43 1.25 -1.18 0.00 0.00 179.01 178.95 1ned h LEU 83 N 0.71 -1.04 -1.58 1.64 5.85 -0.28 -2.51 115.31 118.09 1ned h LEU 83 Ca 0.35 0.04 0.32 0.00 0.84 0.00 0.00 57.88 59.42 1ned h LEU 83 Cb 0.29 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1ned h LEU 83 CO -0.23 -0.72 0.76 0.00 -0.34 0.00 0.00 178.44 177.91 1ned h ALA 84 N -1.06 2.61 -1.64 1.25 0.00 -0.45 0.72 119.26 120.69 1ned h ALA 84 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ned h ALA 84 Cb 0.92 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ned h ALA 84 CO 0.18 -1.02 0.00 1.17 0.00 0.00 0.00 179.25 179.58 1ned n LYS 85 N -4.48 0.00 -0.33 0.00 4.81 -0.65 -1.05 118.16 116.47 1ned n LYS 85 Ca 0.27 0.24 0.23 0.00 -0.87 0.00 0.00 58.31 58.18 1ned n LYS 85 Cb 1.08 -1.23 0.46 0.00 0.02 0.00 0.00 35.03 35.37 1ned n LYS 85 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ned h ASP 86 N 0.00 0.32 0.51 3.14 5.19 -0.91 0.30 116.42 124.97 1ned h ASP 86 Ca 0.00 0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1ned h ASP 86 Cb 0.00 0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ned h ASP 86 CO 0.00 -0.23 -0.26 -0.25 -3.12 0.00 0.00 179.24 175.38 1ned h TRP 87 N 0.21 -0.68 0.00 4.55 7.01 -0.88 -1.70 115.95 124.46 1ned h TRP 87 Ca 0.73 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.71 1ned h TRP 87 Cb 1.70 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.98 1ned h TRP 87 CO -0.08 -0.41 0.00 -2.13 -2.79 0.00 0.00 178.44 173.03 1ned n ARG 88 N -3.95 0.94 0.00 2.65 0.00 -0.15 -3.45 116.66 112.71 1ned n ARG 88 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1ned n ARG 88 Cb 0.28 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1ned n ARG 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1ned n THR 89 N 0.35 0.00 -1.63 5.15 -1.04 -0.09 -4.92 114.28 112.11 1ned n THR 89 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 1ned n THR 89 Cb 0.39 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.83 1ned n THR 89 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ned n ASP 90 N 0.00 2.23 -0.27 8.00 5.68 -0.99 -4.70 116.55 126.50 1ned n ASP 90 Ca 0.00 1.10 0.16 0.00 -0.50 0.00 0.00 54.79 55.54 1ned n ASP 90 Cb 0.00 -1.26 0.30 0.00 -1.14 0.00 0.00 41.12 39.02 1ned n ASP 90 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1ned n ARG 92 N 3.31 -0.06 0.27 0.11 0.00 -1.26 -1.22 116.66 117.80 1ned n ARG 92 Ca 0.19 1.18 -0.15 0.00 -0.00 0.00 0.00 57.85 59.07 1ned n ARG 92 Cb 0.22 -1.95 -0.08 0.00 0.00 0.00 0.00 32.46 30.65 1ned n ARG 92 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1ned h MET 93 N 0.00 -0.83 -0.21 -0.14 4.05 -1.95 -2.38 114.93 113.47 1ned h MET 93 Ca 0.54 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 60.08 1ned h MET 93 Cb 1.23 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 32.21 1ned h MET 93 CO -0.72 -0.55 0.18 -0.07 0.23 0.00 0.00 176.91 175.97 1ned h LEU 93 N -0.86 0.00 0.00 3.39 -0.00 -1.42 -0.70 115.31 115.72 1ned h LEU 93 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1ned h LEU 93 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1ned h LEU 93 CO -0.01 0.00 0.01 -1.14 -0.00 0.00 0.00 178.44 177.29 1ned n ARG 93 N -4.18 0.00 -0.04 1.13 0.63 -0.90 -1.01 116.66 112.31 1ned n ARG 93 Ca 0.02 0.47 -0.22 0.00 -0.92 0.00 0.00 57.85 57.20 1ned n ARG 93 Cb 0.32 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 31.59 1ned n ARG 93 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ned n LYS 94 N -1.47 0.70 -2.11 -0.14 5.02 -0.27 -4.85 118.16 115.04 1ned n LYS 94 Ca 0.00 0.32 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 1ned n LYS 94 Cb 0.01 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1ned n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ned s LEU 95 N -7.21 4.34 0.04 -0.35 1.02 -0.18 -5.00 118.68 111.35 1ned s LEU 95 Ca -0.26 2.29 0.07 0.00 0.02 0.00 0.00 54.13 56.26 1ned s LEU 95 Cb 0.07 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 1ned s LEU 95 CO 0.70 -0.77 -0.20 -0.70 0.02 0.00 0.00 176.35 175.41 1ned s GLU 96 N 2.19 1.40 0.00 1.70 2.12 -1.26 -4.90 118.70 119.95 1ned s GLU 96 Ca 0.67 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1ned s GLU 96 Cb -0.36 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.55 1ned s GLU 96 CO 0.29 0.38 0.00 0.00 -0.54 0.00 0.00 175.26 175.39 1ned n ALA 97 N 1.94 0.00 -3.52 6.30 0.00 -1.26 -4.70 120.51 119.27 1ned n ALA 97 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1ned n ALA 97 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1ned n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ned s LEU 98 N 0.00 0.72 -0.13 0.00 1.43 -1.16 -3.45 118.68 116.10 1ned s LEU 98 Ca 0.00 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1ned s LEU 98 Cb 0.00 0.67 0.01 0.00 0.03 0.00 0.00 46.19 46.89 1ned s LEU 98 CO 0.00 -0.13 -0.22 -0.76 0.23 0.00 0.00 176.35 175.47 1ned s LEU 99 N 0.86 2.14 -0.24 1.79 1.02 0.04 -1.09 118.68 123.20 1ned s LEU 99 Ca -0.06 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.43 1ned s LEU 99 Cb -0.08 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1ned s LEU 99 CO -0.05 0.11 0.09 0.00 0.02 0.00 0.00 176.35 176.52 1ned s ALA 100 N 0.65 3.28 0.04 4.21 0.00 0.99 -0.10 121.76 130.83 1ned s ALA 100 Ca -0.11 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.85 1ned s ALA 100 Cb -0.16 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1ned s ALA 100 CO 0.02 -0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.41 1ned s VAL 101 N 1.34 0.82 0.27 0.00 1.01 -0.82 0.10 120.40 123.12 1ned s VAL 101 Ca 0.05 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1ned s VAL 101 Cb -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1ned s VAL 101 CO 0.04 -0.18 0.65 0.00 0.00 0.00 0.00 175.10 175.61 1ned s ALA 102 N -1.06 -0.96 0.00 5.51 0.00 -0.47 0.79 121.76 125.57 1ned s ALA 102 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1ned s ALA 102 Cb -0.08 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ned s ALA 102 CO 0.01 -0.98 0.00 -0.40 0.00 0.00 0.00 175.76 174.39 1ned n ASP 103 N -0.43 0.00 -0.31 0.00 5.75 -0.47 -0.92 116.55 120.17 1ned n ASP 103 Ca -0.04 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.81 1ned n ASP 103 Cb 0.60 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.92 1ned n ASP 103 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ned h GLU 104 N 0.00 0.68 0.00 0.11 5.08 -1.96 -3.08 114.58 115.41 1ned h GLU 104 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ned h GLU 104 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1ned h GLU 104 CO 0.00 0.45 0.00 2.41 -1.00 0.00 0.00 179.01 180.87 1ned n THR 105 N -4.81 0.00 -2.27 1.13 -1.04 -1.26 -5.02 114.28 101.01 1ned n THR 105 Ca 0.17 0.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.02 1ned n THR 105 Cb 0.42 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1ned n THR 105 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ned n ALA 109 N -1.45 0.00 -2.71 2.41 0.00 -1.17 -5.13 120.51 112.46 1ned n ALA 109 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1ned n ALA 109 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1ned n ALA 109 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ned s SER 110 N 1.56 1.36 -0.28 0.00 0.01 -1.26 -1.36 113.70 113.73 1ned s SER 110 Ca 0.00 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1ned s SER 110 Cb 0.00 -0.07 0.09 0.00 0.21 0.00 0.00 66.02 66.26 1ned s SER 110 CO 0.00 -0.02 0.79 -1.48 0.41 0.00 0.00 173.24 172.94 1ned s LEU 111 N -1.13 -0.75 0.24 2.44 0.05 0.24 -4.46 118.68 115.31 1ned s LEU 111 Ca -0.01 1.30 -0.30 0.00 0.05 0.00 0.00 54.13 55.17 1ned s LEU 111 Cb -0.08 2.24 -0.09 0.00 -2.05 0.00 0.00 46.19 46.21 1ned s LEU 111 CO 0.01 -0.21 0.97 -0.63 -0.55 0.00 0.00 176.35 175.94 1ned s ILE 112 N 1.06 3.96 -0.08 1.48 1.01 0.52 -1.95 121.20 127.20 1ned s ILE 112 Ca -0.05 1.97 -0.00 0.00 0.00 0.00 0.00 60.65 62.56 1ned s ILE 112 Cb -0.05 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1ned s ILE 112 CO -0.12 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.62 1ned s ILE 113 N -1.14 0.68 0.24 2.92 1.01 0.86 -0.54 121.20 125.23 1ned s ILE 113 Ca 0.42 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 61.03 1ned s ILE 113 Cb -0.27 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1ned s ILE 113 CO 0.34 0.29 0.14 0.42 0.00 0.00 0.00 174.94 176.13 1ned s THR 114 N 1.53 4.20 0.24 2.92 -4.23 -0.38 -0.78 115.64 119.13 1ned s THR 114 Ca -0.00 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1ned s THR 114 Cb -0.13 -3.24 0.04 0.00 1.34 0.00 0.00 72.50 70.51 1ned s THR 114 CO -0.04 -0.32 1.65 1.23 -0.54 0.00 0.00 174.62 176.61 1ned h GLY 115 N 1.75 0.71 -0.47 3.99 0.00 -1.89 -3.02 103.07 104.13 1ned h GLY 115 Ca -0.47 -0.61 0.32 0.00 0.00 0.00 0.00 47.33 46.57 1ned h GLY 115 CO 0.61 0.55 0.73 -0.57 0.00 0.00 0.00 176.54 177.86 1ned h ASN 116 N 0.57 0.37 0.00 0.19 -1.24 -1.94 -3.18 115.58 110.35 1ned h ASN 116 Ca 0.08 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ned h ASN 116 Cb 0.73 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1ned h ASN 116 CO 0.06 -0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.80 1ned n GLY 117 N -1.49 1.08 3.29 1.57 0.00 -1.14 -4.75 105.19 103.75 1ned n GLY 117 Ca 0.29 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1ned n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ned s ASP 118 N 0.00 -0.50 -0.15 1.61 1.01 -1.25 -4.96 116.67 112.44 1ned s ASP 118 Ca 0.00 0.55 -0.00 0.00 0.71 0.00 0.00 52.55 53.80 1ned s ASP 118 Cb 0.00 1.51 -0.01 0.00 1.01 0.00 0.00 42.92 45.43 1ned s ASP 118 CO 0.00 -0.09 -0.13 -0.69 0.21 0.00 0.00 175.17 174.47 1ned s VAL 119 N 2.55 2.99 -0.01 -1.27 1.01 -1.26 -1.25 120.40 123.16 1ned s VAL 119 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ned s VAL 119 Cb -0.07 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1ned s VAL 119 CO -0.16 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 1ned s VAL 120 N 0.60 -0.01 -0.30 2.92 1.01 0.30 -4.96 120.40 119.96 1ned s VAL 120 Ca -0.07 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1ned s VAL 120 Cb -0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1ned s VAL 120 CO 0.03 0.05 0.25 -1.58 0.00 0.00 0.00 175.10 173.85 1ned s GLN 121 N 0.54 3.78 1.42 2.72 0.74 -1.26 -0.36 119.66 127.24 1ned s GLN 121 Ca -0.05 -0.38 -0.23 0.00 0.05 0.00 0.00 55.36 54.76 1ned s GLN 121 Cb -0.07 -3.72 0.37 0.00 1.10 0.00 0.00 33.01 30.69 1ned s GLN 121 CO -0.01 -0.31 0.94 -1.25 -0.55 0.00 0.00 175.29 174.10 1ned s PRO 122 N 1.83 -2.94 0.00 1.67 0.04 -1.26 -4.86 135.00 129.47 1ned s PRO 122 Ca 0.08 0.09 0.17 0.00 0.04 0.00 0.00 61.00 61.38 1ned s PRO 122 Cb -0.16 -1.38 1.02 0.00 0.04 0.00 0.00 34.50 34.01 1ned s PRO 122 CO 0.11 -4.87 1.42 0.39 0.04 0.00 0.00 177.00 174.09 1ned n GLU 123 N -5.62 0.56 -0.80 4.56 1.02 -1.26 -3.81 120.64 115.28 1ned n GLU 123 Ca 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1ned n GLU 123 Cb 0.60 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 1ned n GLU 123 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ned n ASN 12 N -0.98 -0.52 -1.73 1.62 5.03 -1.26 -4.91 115.26 112.51 1ned n ASN 12 Ca 0.13 -1.05 -0.17 0.00 0.87 0.00 0.00 54.58 54.36 1ned n ASN 12 Cb 0.06 0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 1ned n ASN 12 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ned n ASP 12 N -0.03 -4.70 -4.29 6.41 8.00 -1.25 -4.64 116.55 116.06 1ned n ASP 12 Ca -0.14 0.34 -0.44 0.00 0.71 0.00 0.00 54.79 55.25 1ned n ASP 12 Cb 0.49 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.41 1ned n ASP 12 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ned s LEU 124 N -4.68 6.39 -0.20 0.64 2.96 -1.26 -3.61 118.68 118.92 1ned s LEU 124 Ca 0.00 -3.03 -0.18 0.00 -0.22 0.00 0.00 54.13 50.70 1ned s LEU 124 Cb 0.00 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1ned s LEU 124 CO 0.00 -0.44 0.51 -0.63 -1.32 0.00 0.00 176.35 174.46 1ned s ILE 125 N -0.35 5.12 -0.08 6.68 1.01 -1.12 -4.71 121.20 127.74 1ned s ILE 125 Ca 0.22 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 1ned s ILE 125 Cb -0.11 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1ned s ILE 125 CO -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 174.94 175.03 1ned s ALA 126 N 1.60 0.80 0.26 9.38 0.00 -1.26 -0.69 121.76 131.85 1ned s ALA 126 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1ned s ALA 126 Cb -0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1ned s ALA 126 CO 0.09 -0.44 0.19 0.96 0.00 0.00 0.00 175.76 176.56 1ned s ILE 127 N 1.90 0.03 0.00 0.00 -4.36 -0.33 -4.66 121.20 113.77 1ned s ILE 127 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1ned s ILE 127 Cb -0.12 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1ned s ILE 127 CO -0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1ned n GLY 128 N -0.42 -0.54 0.32 6.27 0.00 -1.26 -1.65 105.19 107.90 1ned n GLY 128 Ca 0.04 -1.71 0.05 0.00 0.00 0.00 0.00 46.02 44.40 1ned n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ned n SER 129 N -1.42 -0.33 -0.36 1.61 3.41 -0.09 0.78 113.62 117.22 1ned n SER 129 Ca 0.00 1.50 0.13 0.00 -0.26 0.00 0.00 58.87 60.24 1ned n SER 129 Cb 0.00 -0.45 0.35 0.00 -0.26 0.00 0.00 64.21 63.86 1ned n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ned n GLY 130 N -1.54 -0.31 0.30 5.00 0.00 -1.22 -4.54 105.19 102.87 1ned n GLY 130 Ca 0.14 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1ned n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ned n GLY 131 N 1.31 -1.87 0.38 -0.02 0.00 0.23 -0.14 105.19 105.09 1ned n GLY 131 Ca 0.14 0.85 -0.10 0.00 0.00 0.00 0.00 46.02 46.91 1ned n GLY 131 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ned h PRO 132 N 0.00 -0.33 0.03 1.61 0.11 -1.80 0.16 132.00 131.79 1ned h PRO 132 Ca 0.12 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.27 1ned h PRO 132 Cb 0.29 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 1ned h PRO 132 CO -0.68 -0.22 -0.50 1.88 -0.21 0.00 0.00 178.00 178.27 1ned h TYR 133 N -0.34 -1.45 -0.30 0.65 0.05 -0.86 -0.56 116.97 114.16 1ned h TYR 133 Ca 0.13 0.04 0.06 0.00 0.05 0.00 0.00 58.73 59.02 1ned h TYR 133 Cb 0.58 0.63 -0.06 0.00 1.01 0.00 0.00 36.73 38.89 1ned h TYR 133 CO -0.59 -0.56 -0.13 0.00 -1.05 0.00 0.00 178.16 175.84 1ned h ALA 134 N -0.34 0.12 -0.82 3.88 0.00 -0.91 -1.55 119.26 119.65 1ned h ALA 134 Ca 0.02 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1ned h ALA 134 Cb 0.72 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1ned h ALA 134 CO -0.33 -0.52 -0.49 0.37 0.00 0.00 0.00 179.25 178.28 1ned h GLN 135 N -0.08 -0.10 -0.10 0.00 4.15 0.10 0.60 115.11 119.69 1ned h GLN 135 Ca 0.15 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.60 1ned h GLN 135 Cb 0.31 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1ned h GLN 135 CO -0.35 -0.07 -0.40 0.00 -1.93 0.00 0.00 178.83 176.09 1ned h ALA 136 N 0.71 -0.77 0.07 3.38 0.00 -0.16 0.70 119.26 123.20 1ned h ALA 136 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ned h ALA 136 Cb 0.52 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1ned h ALA 136 CO -0.85 -0.91 -0.44 0.00 0.00 0.00 0.00 179.25 177.05 1ned h ALA 137 N -0.61 -0.91 -0.72 0.00 0.00 -0.34 0.45 119.26 117.14 1ned h ALA 137 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ned h ALA 137 Cb 0.50 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1ned h ALA 137 CO -0.32 -1.02 -0.51 0.00 0.00 0.00 0.00 179.25 177.40 1ned h ALA 138 N -0.69 -0.56 -0.35 0.00 0.00 0.39 0.21 119.26 118.26 1ned h ALA 138 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ned h ALA 138 Cb 0.62 1.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1ned h ALA 138 CO -0.25 -0.89 -0.37 -0.09 0.00 0.00 0.00 179.25 177.65 1ned h ARG 139 N -0.11 -0.20 -0.87 0.00 9.65 0.13 0.29 114.38 123.27 1ned h ARG 139 Ca 0.12 0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.18 1ned h ARG 139 Cb 0.41 0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 28.87 1ned h ARG 139 CO -0.73 -0.13 -0.23 0.00 2.80 0.00 0.00 179.97 181.67 1ned h ALA 140 N -0.37 0.53 0.22 2.80 0.00 0.22 0.55 119.26 123.20 1ned h ALA 140 Ca 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1ned h ALA 140 Cb 0.37 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ned h ALA 140 CO -0.44 -0.42 -0.12 -0.07 0.00 0.00 0.00 179.25 178.20 1ned h LEU 141 N -0.01 -0.30 -1.96 0.00 4.07 0.20 0.18 115.31 117.49 1ned h LEU 141 Ca 0.41 0.01 0.46 0.00 0.08 0.00 0.00 57.88 58.84 1ned h LEU 141 Cb 0.63 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.39 1ned h LEU 141 CO -0.89 -0.20 1.15 0.25 -1.08 0.00 0.00 178.44 177.67 1ned h LEU 142 N -0.32 0.00 0.01 1.67 5.85 0.15 0.17 115.31 122.84 1ned h LEU 142 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ned h LEU 142 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ned h LEU 142 CO 0.04 0.00 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.81 1ned h GLU 143 N 0.00 -0.01 -0.87 1.25 4.39 0.73 -3.39 114.58 116.67 1ned h GLU 143 Ca 0.75 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 60.24 1ned h GLU 143 Cb 3.05 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 31.57 1ned h GLU 143 CO -0.01 -0.00 0.27 0.09 -1.16 0.00 0.00 179.01 178.20 1ned n ASN 144 N -3.48 3.89 -3.65 1.42 4.13 0.57 -4.94 115.26 113.19 1ned n ASN 144 Ca -0.00 -2.93 -0.03 0.00 1.68 0.00 0.00 54.58 53.30 1ned n ASN 144 Cb 0.00 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 37.54 1ned n ASN 144 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ned s THR 145 N -2.30 0.00 0.00 3.41 -1.32 0.51 -4.99 115.64 110.96 1ned s THR 145 Ca 0.40 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1ned s THR 145 Cb 0.32 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1ned s THR 145 CO 0.09 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.66 1ned n GLU 146 N -0.53 0.00 -0.57 7.08 0.28 -1.26 -4.39 120.64 121.25 1ned n GLU 146 Ca -0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.02 1ned n GLU 146 Cb 0.61 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.46 1ned n GLU 146 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1ned n LEU 147 N 0.00 0.00 -4.93 -1.84 4.77 -1.26 -4.75 117.00 108.99 1ned n LEU 147 Ca 0.00 0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 56.39 1ned n LEU 147 Cb 0.00 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 39.36 1ned n LEU 147 CO 0.00 -1.34 0.01 -0.94 -1.33 0.00 0.00 177.39 173.78 1ned s SER 150 N -4.58 5.61 0.14 -1.43 1.04 -1.26 -4.96 113.70 108.26 1ned s SER 150 Ca 0.00 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 1ned s SER 150 Cb 0.00 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 65.11 1ned s SER 150 CO 0.00 -0.44 1.69 0.00 0.98 0.00 0.00 173.24 175.46 1ned h ALA 151 N 1.02 0.17 -0.03 5.32 0.00 -1.87 -1.12 119.26 122.76 1ned h ALA 151 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ned h ALA 151 Cb 1.26 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ned h ALA 151 CO 0.55 -0.48 -0.07 -0.09 0.00 0.00 0.00 179.25 179.16 1ned h ARG 152 N -0.01 -0.07 -0.76 0.00 9.65 -1.93 -0.18 114.38 121.07 1ned h ARG 152 Ca 0.13 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.15 1ned h ARG 152 Cb 0.22 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 28.68 1ned h ARG 152 CO -0.29 -0.04 -0.31 0.93 2.80 0.00 0.00 179.97 183.05 1ned h GLU 153 N -0.07 -0.07 0.43 0.20 5.08 -1.86 0.37 114.58 118.66 1ned h GLU 153 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ned h GLU 153 Cb 0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ned h GLU 153 CO -0.06 -0.05 -0.40 0.82 -1.00 0.00 0.00 179.01 178.33 1ned h ILE 154 N -0.07 0.20 -0.17 3.13 2.04 -0.75 0.68 117.51 122.56 1ned h ILE 154 Ca 0.31 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.22 1ned h ILE 154 Cb 0.58 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1ned h ILE 154 CO -0.80 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 176.94 1ned h ALA 155 N -0.46 -0.54 -0.20 1.87 0.00 -0.23 0.48 119.26 120.18 1ned h ALA 155 Ca -0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ned h ALA 155 Cb 0.73 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1ned h ALA 155 CO -0.05 -0.90 -0.35 1.49 0.00 0.00 0.00 179.25 179.44 1ned h GLU 156 N -0.46 -0.28 -0.55 0.00 4.81 -0.54 0.80 114.58 118.35 1ned h GLU 156 Ca 0.09 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1ned h GLU 156 Cb 0.61 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 1ned h GLU 156 CO -0.42 -0.19 -0.55 0.87 -0.73 0.00 0.00 179.01 178.00 1ned h LYS 157 N -0.29 -0.27 0.32 1.92 6.56 0.12 0.70 116.57 125.63 1ned h LYS 157 Ca 0.04 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1ned h LYS 157 Cb 0.39 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1ned h LYS 157 CO -0.35 -0.18 -0.17 0.00 -2.06 0.00 0.00 179.45 176.69 1ned h ALA 158 N 0.06 -0.46 -0.28 3.86 0.00 0.86 -1.78 119.26 121.52 1ned h ALA 158 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ned h ALA 158 Cb 0.53 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ned h ALA 158 CO -0.67 -0.76 0.39 1.25 0.00 0.00 0.00 179.25 179.45 1ned h LEU 159 N -0.46 0.00 0.13 0.00 5.85 0.13 0.14 115.31 121.10 1ned h LEU 159 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1ned h LEU 159 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ned h LEU 159 CO 0.05 0.00 -0.06 0.44 -0.34 0.00 0.00 178.44 178.53 1ned h ASP 160 N 0.00 -0.15 -1.02 1.25 3.32 -0.08 -3.32 116.42 116.42 1ned h ASP 160 Ca 0.14 0.01 0.36 0.00 0.02 0.00 0.00 57.03 57.55 1ned h ASP 160 Cb 0.90 0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.34 1ned h ASP 160 CO -0.00 0.01 0.58 0.40 -1.72 0.00 0.00 179.24 178.52 1ned h ILE 161 N -0.41 0.20 -0.21 0.35 2.04 -0.26 0.06 117.51 119.29 1ned h ILE 161 Ca -0.02 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1ned h ILE 161 Cb 0.13 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1ned h ILE 161 CO 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 178.15 177.97 1ned h ALA 162 N 1.87 -0.48 -0.10 1.87 0.00 -0.91 0.89 119.26 122.40 1ned h ALA 162 Ca 0.77 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.72 1ned h ALA 162 Cb 1.91 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 20.62 1ned h ALA 162 CO -0.64 -0.60 0.17 0.78 0.00 0.00 0.00 179.25 178.96 1ned h GLY 163 N -0.15 0.00 2.00 0.00 0.00 -1.08 0.57 103.07 104.40 1ned h GLY 163 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1ned h GLY 163 CO -0.28 0.00 -0.16 -0.55 0.00 0.00 0.00 176.54 175.56 1ned h ASP 164 N 0.00 0.00 0.00 0.19 3.32 -0.68 -3.37 116.42 115.89 1ned h ASP 164 Ca 0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1ned h ASP 164 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1ned h ASP 164 CO -0.00 0.16 -1.07 -0.38 -1.72 0.00 0.00 179.24 176.23 1ned n ILE 165 N -3.36 1.25 -2.59 0.35 5.41 0.17 -4.94 119.36 115.65 1ned n ILE 165 Ca -0.00 0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.40 1ned n ILE 165 Cb 0.36 -1.95 -0.02 0.00 -0.71 0.00 0.00 39.64 37.33 1ned n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ned h ILE 167 N 5.85 0.99 0.00 0.00 -0.00 -1.88 -0.30 117.51 122.18 1ned h ILE 167 Ca -0.22 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.35 1ned h ILE 167 Cb 1.07 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.96 1ned h ILE 167 CO 1.05 0.15 0.00 -1.22 -0.00 0.00 0.00 178.15 178.13 1ned n TYR 168 N -4.51 0.00 -4.46 0.16 4.01 -1.26 -4.66 117.16 106.45 1ned n TYR 168 Ca 0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.54 1ned n TYR 168 Cb 0.28 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 1ned n TYR 168 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ned s THR 169 N -2.00 4.02 -0.04 -0.72 2.01 -0.12 0.43 115.64 119.22 1ned s THR 169 Ca 0.15 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1ned s THR 169 Cb 0.07 -2.69 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 1ned s THR 169 CO 0.11 0.55 0.63 -1.13 -0.69 0.00 0.00 174.62 174.09 1ned h ASN 170 N 5.00 -0.46 0.00 3.53 -0.73 -1.86 -3.42 115.58 117.64 1ned h ASN 170 Ca -0.50 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1ned h ASN 170 Cb 1.18 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.89 1ned h ASN 170 CO 0.54 -0.03 0.00 1.41 -0.37 0.00 0.00 177.43 178.98 1ned n HIS 171 N -5.12 0.00 -2.57 0.67 8.25 -1.26 -4.92 115.22 110.27 1ned n HIS 171 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1ned n HIS 171 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 1ned n HIS 171 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ned s PHE 172 N -2.63 3.02 -0.38 4.41 5.36 -1.26 -5.00 117.98 121.50 1ned s PHE 172 Ca 0.00 1.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.93 1ned s PHE 172 Cb 0.00 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 1ned s PHE 172 CO 0.00 -1.05 0.32 -1.01 -1.46 0.00 0.00 175.22 172.02 1ned s HIS 173 N 3.82 3.22 -0.21 10.12 3.76 -1.26 -3.15 115.29 131.58 1ned s HIS 173 Ca 0.49 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.90 1ned s HIS 173 Cb -0.14 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.88 1ned s HIS 173 CO 0.17 -0.52 0.35 0.99 -0.85 0.00 0.00 174.74 174.89 1ned s THR 174 N 1.83 5.23 0.06 1.30 2.01 -0.51 -4.98 115.64 120.60 1ned s THR 174 Ca 0.08 0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1ned s THR 174 Cb -0.18 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1ned s THR 174 CO 0.11 0.27 -0.10 0.27 -0.69 0.00 0.00 174.62 174.48 1ned s ILE 175 N 1.22 0.79 -0.09 1.82 -5.25 -1.26 -2.01 121.20 116.41 1ned s ILE 175 Ca 0.17 -1.28 -0.04 0.00 -0.99 0.00 0.00 60.65 58.51 1ned s ILE 175 Cb -0.14 -0.92 0.05 0.00 2.95 0.00 0.00 42.46 44.39 1ned s ILE 175 CO 0.07 -0.39 0.19 -1.61 -1.79 0.00 0.00 174.94 171.42 1ned s GLU 176 N -1.93 0.08 -0.02 0.37 0.41 -0.58 -5.02 118.70 112.01 1ned s GLU 176 Ca -0.04 0.59 0.03 0.00 -0.41 0.00 0.00 54.97 55.13 1ned s GLU 176 Cb -0.08 -0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.08 1ned s GLU 176 CO 0.01 -0.28 -0.09 -1.83 -0.49 0.00 0.00 175.26 172.58 1ned s GLU 177 N 2.13 0.94 -0.09 1.61 -1.05 -1.26 -1.21 118.70 119.76 1ned s GLU 177 Ca 0.00 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 1ned s GLU 177 Cb -0.12 -0.88 0.01 0.00 -0.44 0.00 0.00 34.13 32.70 1ned s GLU 177 CO -0.07 0.14 -0.18 -0.48 0.95 0.00 0.00 175.26 175.62 1ned s LEU 178 N 0.08 1.87 0.36 1.83 0.05 -0.63 -4.98 118.68 117.27 1ned s LEU 178 Ca -0.01 -0.44 -0.01 0.00 0.05 0.00 0.00 54.13 53.71 1ned s LEU 178 Cb -0.07 -1.14 -0.04 0.00 -2.05 0.00 0.00 46.19 42.89 1ned s LEU 178 CO 0.00 0.09 0.59 -0.44 -0.55 0.00 0.00 176.35 176.04 1ned s SER 179 N 0.56 6.31 0.00 1.48 0.01 -1.26 -2.03 113.70 118.77 1ned s SER 179 Ca -0.15 0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.69 1ned s SER 179 Cb -0.17 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.01 1ned s SER 179 CO 0.05 -0.33 0.76 0.00 0.41 0.00 0.00 173.24 174.13 1ned n TYR 180 N -1.76 0.00 -1.60 2.43 4.11 -0.69 -4.97 117.16 114.68 1ned n TYR 180 Ca -0.04 -0.09 -0.37 0.00 -0.00 0.00 0.00 57.90 57.40 1ned n TYR 180 Cb 0.56 0.15 -0.03 0.00 -0.00 0.00 0.00 39.34 40.02 1ned n TYR 180 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1ned s LYS 181 N 0.00 2.28 -0.33 -3.48 2.20 -1.26 -4.80 119.74 114.35 1ned s LYS 181 Ca 0.02 1.43 -0.04 0.00 -0.36 0.00 0.00 55.97 57.03 1ned s LYS 181 Cb 0.03 -4.54 -0.10 0.00 -1.51 0.00 0.00 37.83 31.70 1ned s LYS 181 CO -0.01 -3.08 2.07 0.00 -0.36 0.00 0.00 175.35 173.97 1ned n ALA 182 N 15.09 4.01 -2.06 3.13 0.00 -1.26 -4.87 120.51 134.54 1ned n ALA 182 Ca 0.34 -1.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.07 1ned n ALA 182 Cb 0.53 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1ned n ALA 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ned s GLU 183 N 2.59 3.38 -0.41 0.00 2.12 -1.26 -4.95 118.70 120.17 1ned s GLU 183 Ca 0.35 1.34 0.03 0.00 0.36 0.00 0.00 54.97 57.05 1ned s GLU 183 Cb 0.14 -4.17 0.12 0.00 0.26 0.00 0.00 34.13 30.48 1ned s GLU 183 CO -0.01 -1.80 0.16 -0.59 -0.54 0.00 0.00 175.26 172.48 1ned s PHE 184 N 6.62 2.76 -0.25 5.30 -0.12 -1.26 -5.10 117.98 125.94 1ned s PHE 184 Ca 0.76 -2.67 -0.28 0.00 -0.05 0.00 0.00 56.93 54.70 1ned s PHE 184 Cb -0.21 -2.40 0.01 0.00 -0.63 0.00 0.00 43.02 39.78 1ned s PHE 184 CO 0.33 -0.84 0.98 -3.38 -0.05 0.00 0.00 175.22 172.27 1ned s HIS 185 N 0.56 3.31 0.25 3.49 -3.43 -1.26 -5.02 115.29 113.20 1ned s HIS 185 Ca 0.14 1.34 -0.27 0.00 -0.80 0.00 0.00 55.06 55.47 1ned s HIS 185 Cb -0.22 -3.26 -0.09 0.00 -1.43 0.00 0.00 32.58 27.58 1ned s HIS 185 CO -0.07 -0.49 0.89 -1.01 -2.00 0.00 0.00 174.74 172.05 1ned s HIS 186 N 3.15 3.83 0.00 0.38 3.76 -1.26 -5.35 115.29 119.80 1ned s HIS 186 Ca 0.41 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 57.08 1ned s HIS 186 Cb -0.15 -2.88 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1ned s HIS 186 CO 0.07 0.37 0.40 0.72 -0.85 0.00 0.00 174.74 175.45