#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4m n ASP 11 N 0.00 0.63 0.27 6.43 5.75 -1.26 -4.04 116.55 124.33 1d4m n ASP 11 Ca 0.00 -0.09 0.10 0.00 -0.01 0.00 0.00 54.79 54.79 1d4m n ASP 11 Cb 0.00 0.67 0.70 0.00 -1.03 0.00 0.00 41.12 41.46 1d4m n ASP 11 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1d4m h ARG 12 N 0.00 0.00 -6.69 0.11 2.47 -1.87 -3.41 114.38 104.99 1d4m h ARG 12 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1d4m h ARG 12 Cb 0.76 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1d4m h ARG 12 CO 0.00 0.00 0.47 0.08 0.56 0.00 0.00 179.97 181.08 1d4m s VAL 13 N -4.97 3.79 -0.16 2.04 1.01 -1.26 -2.04 120.40 118.81 1d4m s VAL 13 Ca -0.05 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.38 1d4m s VAL 13 Cb 0.17 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1d4m s VAL 13 CO 0.64 0.30 0.43 -0.60 0.00 0.00 0.00 175.10 175.88 1d4m s ARG 14 N -0.60 0.51 -0.05 2.72 6.06 -0.57 -4.98 118.95 122.04 1d4m s ARG 14 Ca 0.48 0.61 0.00 0.00 -2.50 0.00 0.00 55.73 54.32 1d4m s ARG 14 Cb -0.30 0.24 0.02 0.00 0.06 0.00 0.00 34.95 34.98 1d4m s ARG 14 CO 0.36 -0.06 -0.03 0.45 -2.50 0.00 0.00 175.30 173.52 1d4m s SER 15 N 0.25 1.02 -0.07 -2.12 0.15 -1.26 -1.23 113.70 110.44 1d4m s SER 15 Ca -0.00 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.56 1d4m s SER 15 Cb -0.03 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1d4m s SER 15 CO 0.00 -0.09 -0.09 -0.63 1.20 0.00 0.00 173.24 173.63 1d4m s ILE 16 N 1.17 0.94 -0.16 6.45 1.01 0.16 -4.97 121.20 125.79 1d4m s ILE 16 Ca -0.07 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1d4m s ILE 16 Cb -0.14 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1d4m s ILE 16 CO -0.01 0.32 -0.14 -0.89 0.00 0.00 0.00 174.94 174.21 1d4m s THR 17 N 0.92 1.66 -0.08 2.92 2.01 -1.26 -0.68 115.64 121.13 1d4m s THR 17 Ca -0.10 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 1d4m s THR 17 Cb -0.15 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1d4m s THR 17 CO 0.01 0.43 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 1d4m s LEU 18 N 1.44 1.04 0.00 4.42 1.43 -0.59 -5.02 118.68 121.40 1d4m s LEU 18 Ca 0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1d4m s LEU 18 Cb -0.13 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1d4m s LEU 18 CO -0.11 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1d4m n GLY 19 N 4.73 3.38 1.87 -3.19 0.00 -1.23 -1.88 105.19 108.88 1d4m n GLY 19 Ca -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1d4m n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d4m n ASN 20 N 5.56 4.84 -4.09 1.61 2.04 -1.26 -4.93 115.26 119.02 1d4m n ASN 20 Ca 0.00 -3.03 -0.20 0.00 -0.44 0.00 0.00 54.58 50.91 1d4m n ASN 20 Cb 0.00 -0.71 -0.14 0.00 -2.53 0.00 0.00 39.78 36.40 1d4m n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1d4m s SER 21 N -0.81 1.44 -0.01 0.53 1.04 -0.79 -5.06 113.70 110.04 1d4m s SER 21 Ca 0.50 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1d4m s SER 21 Cb 0.40 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1d4m s SER 21 CO 0.13 0.08 -0.10 -0.89 0.98 0.00 0.00 173.24 173.44 1d4m s THR 22 N -0.55 0.82 -0.06 2.02 2.01 -1.26 -1.55 115.64 117.07 1d4m s THR 22 Ca 0.03 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1d4m s THR 22 Cb -0.06 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1d4m s THR 22 CO 0.00 0.24 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.37 1d4m s ILE 23 N -0.15 2.80 0.04 1.82 1.01 0.14 -4.95 121.20 121.91 1d4m s ILE 23 Ca 0.02 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1d4m s ILE 23 Cb -0.05 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1d4m s ILE 23 CO -0.00 0.58 -0.12 0.42 0.00 0.00 0.00 174.94 175.82 1d4m s THR 24 N -0.46 0.90 -0.04 2.92 -4.23 -1.26 -0.67 115.64 112.79 1d4m s THR 24 Ca 0.06 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1d4m s THR 24 Cb -0.12 -0.85 0.03 0.00 1.34 0.00 0.00 72.50 72.90 1d4m s THR 24 CO 0.02 -0.12 0.09 0.42 -0.54 0.00 0.00 174.62 174.49 1d4m s THR 25 N -0.97 -0.04 -0.36 3.99 -4.23 -0.37 -4.99 115.64 108.66 1d4m s THR 25 Ca -0.02 0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.88 1d4m s THR 25 Cb -0.08 -0.16 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 1d4m s THR 25 CO 0.01 0.07 1.09 0.00 -0.54 0.00 0.00 174.62 175.24 1d4m n GLN 26 N 3.99 0.50 -3.47 3.99 6.02 -1.26 -1.51 117.38 125.64 1d4m n GLN 26 Ca -0.24 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 56.56 1d4m n GLN 26 Cb 0.52 -1.76 -0.11 0.00 1.02 0.00 0.00 30.24 29.91 1d4m n GLN 26 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1d4m s GLU 27 N -3.31 1.01 0.44 -1.09 2.02 -1.22 -4.19 118.70 112.37 1d4m s GLU 27 Ca 0.01 -2.08 0.05 0.00 0.02 0.00 0.00 54.97 52.97 1d4m s GLU 27 Cb 0.11 -1.64 -0.06 0.00 0.10 0.00 0.00 34.13 32.64 1d4m s GLU 27 CO 0.78 -1.33 0.01 0.00 0.02 0.00 0.00 175.26 174.74 1d4m n ALA 29 N -1.08 0.00 -2.14 0.00 0.00 -1.26 -4.59 120.51 111.44 1d4m n ALA 29 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1d4m n ALA 29 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1d4m n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1d4m n ASN 30 N 0.00 0.02 -3.91 0.00 2.85 -1.26 -4.79 115.26 108.17 1d4m n ASN 30 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1d4m n ASN 30 Cb 0.00 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 40.85 1d4m n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1d4m s VAL 31 N 2.78 1.01 0.04 3.44 1.01 -1.26 -4.56 120.40 122.85 1d4m s VAL 31 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 1d4m s VAL 31 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 1d4m s VAL 31 CO 0.00 0.36 0.65 -0.69 0.00 0.00 0.00 175.10 175.42 1d4m s VAL 32 N 1.61 4.78 -0.22 2.92 1.01 -0.53 -4.98 120.40 124.98 1d4m s VAL 32 Ca 0.03 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.39 1d4m s VAL 32 Cb -0.13 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1d4m s VAL 32 CO -0.07 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.64 1d4m s VAL 33 N -0.43 2.31 0.00 2.92 1.01 -1.26 -0.38 120.40 124.57 1d4m s VAL 33 Ca 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1d4m s VAL 33 Cb -0.19 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1d4m s VAL 33 CO 0.20 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1d4m n GLY 34 N 4.59 0.00 2.75 4.51 0.00 0.19 -0.73 105.19 116.50 1d4m n GLY 34 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1d4m n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1d4m n TYR 35 N 0.00 3.21 -1.15 1.61 4.01 -1.26 -4.65 117.16 118.94 1d4m n TYR 35 Ca 0.00 -2.87 -0.05 0.00 -0.16 0.00 0.00 57.90 54.82 1d4m n TYR 35 Cb 0.00 -0.84 -0.02 0.00 -0.31 0.00 0.00 39.34 38.17 1d4m n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1d4m n GLY 36 N -0.33 0.74 3.22 2.72 0.00 0.09 -4.99 105.19 106.64 1d4m n GLY 36 Ca 0.45 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1d4m n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4m s ARG 37 N -1.98 2.98 0.25 1.61 1.81 -1.26 -5.08 118.95 117.29 1d4m s ARG 37 Ca 0.00 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 52.84 1d4m s ARG 37 Cb 0.00 -2.94 -0.09 0.00 -0.45 0.00 0.00 34.95 31.47 1d4m s ARG 37 CO 0.00 -0.33 0.99 -0.46 -0.68 0.00 0.00 175.30 174.82 1d4m s TRP 38 N 1.36 3.85 0.53 -0.53 -0.11 -1.26 -4.13 118.94 118.65 1d4m s TRP 38 Ca 0.02 1.85 -0.21 0.00 1.22 0.00 0.00 56.10 58.98 1d4m s TRP 38 Cb -0.16 -3.07 -0.08 0.00 -1.50 0.00 0.00 33.47 28.66 1d4m s TRP 38 CO -0.05 0.14 0.91 -2.30 -4.62 0.00 0.00 176.95 171.03 1d4m n PRO 39 N 1.37 1.01 -3.59 5.86 -0.02 -1.26 -4.94 135.00 133.44 1d4m n PRO 39 Ca -0.02 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.68 1d4m n PRO 39 Cb 0.46 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1d4m n PRO 39 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1d4m s THR 40 N -1.46 0.01 0.65 3.45 -1.32 -1.26 -4.98 115.64 110.72 1d4m s THR 40 Ca 0.70 -0.08 -0.16 0.00 -1.21 0.00 0.00 61.69 60.94 1d4m s THR 40 Cb -0.47 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1d4m s THR 40 CO 0.52 -0.04 1.16 -0.31 -2.21 0.00 0.00 174.62 173.74 1d4m s TYR 41 N -0.90 2.42 0.14 9.09 2.02 -1.26 -4.96 117.35 123.91 1d4m s TYR 41 Ca -0.09 1.56 -0.31 0.00 -0.37 0.00 0.00 57.07 57.85 1d4m s TYR 41 Cb -0.02 -3.33 -0.09 0.00 -0.40 0.00 0.00 41.96 38.12 1d4m s TYR 41 CO 0.07 -2.03 1.53 -1.17 -1.57 0.00 0.00 175.55 172.39 1d4m s LEU 42 N -4.62 4.37 0.54 -1.29 2.96 -1.26 -5.01 118.68 114.37 1d4m s LEU 42 Ca 0.72 2.53 -0.11 0.00 -0.22 0.00 0.00 54.13 57.05 1d4m s LEU 42 Cb -0.25 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1d4m s LEU 42 CO 0.39 -0.79 0.93 -0.13 -1.32 0.00 0.00 176.35 175.42 1d4m s ARG 43 N 1.32 3.68 0.41 1.98 0.52 -1.26 -4.97 118.95 120.63 1d4m s ARG 43 Ca 0.69 0.63 0.08 0.00 -0.52 0.00 0.00 55.73 56.60 1d4m s ARG 43 Cb -0.42 -2.20 0.86 0.00 0.52 0.00 0.00 34.95 33.71 1d4m s ARG 43 CO 0.31 -0.35 2.04 -0.44 0.02 0.00 0.00 175.30 176.87 1d4m h ASP 44 N 0.28 0.42 -0.15 0.23 3.32 -1.97 -0.83 116.42 117.72 1d4m h ASP 44 Ca -0.46 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1d4m h ASP 44 Cb 1.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1d4m h ASP 44 CO 0.62 0.34 0.00 -0.90 -1.72 0.00 0.00 179.24 177.58 1d4m n ASP 45 N -4.44 0.92 0.00 6.45 3.85 -1.26 -3.45 116.55 118.61 1d4m n ASP 45 Ca 0.02 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1d4m n ASP 45 Cb 0.10 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1d4m n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1d4m n GLU 46 N -0.05 -0.04 -3.34 0.11 1.02 -0.34 -5.09 120.64 112.91 1d4m n GLU 46 Ca 0.09 -0.54 -0.29 0.00 -0.02 0.00 0.00 57.16 56.39 1d4m n GLU 46 Cb 0.16 -0.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 1d4m n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d4m s ALA 47 N -0.16 3.61 0.01 0.62 0.00 -1.05 -4.74 121.76 120.05 1d4m s ALA 47 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1d4m s ALA 47 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1d4m s ALA 47 CO 0.00 0.29 0.00 2.41 0.00 0.00 0.00 175.76 178.46 1d4m n THR 48 N -0.80 0.09 -1.82 0.00 -1.04 -1.26 -5.02 114.28 104.44 1d4m n THR 48 Ca -0.01 0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1d4m n THR 48 Cb 0.54 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 1d4m n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d4m s ALA 49 N -2.00 3.53 -0.69 2.41 0.00 -1.26 -4.90 121.76 118.84 1d4m s ALA 49 Ca 0.00 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.33 1d4m s ALA 49 Cb 0.00 -3.82 0.76 0.00 0.00 0.00 0.00 23.12 20.06 1d4m s ALA 49 CO 0.00 -1.59 1.76 0.93 0.00 0.00 0.00 175.76 176.86 1d4m h GLU 50 N 10.45 0.00 -7.11 0.00 5.08 -2.05 -3.47 114.58 117.47 1d4m h GLU 50 Ca -0.44 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.44 1d4m h GLU 50 Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 1d4m h GLU 50 CO 0.95 0.00 0.38 0.16 -1.00 0.00 0.00 179.01 179.50 1d4m s ASP 51 N -4.71 6.24 0.03 1.42 -4.77 -1.26 -4.97 116.67 108.65 1d4m s ASP 51 Ca 0.10 1.86 -0.30 0.00 -3.30 0.00 0.00 52.55 50.91 1d4m s ASP 51 Cb 0.11 -2.55 -0.08 0.00 -1.09 0.00 0.00 42.92 39.32 1d4m s ASP 51 CO 0.60 -0.85 1.72 -1.58 0.70 0.00 0.00 175.17 175.76 1d4m s GLN 52 N -3.52 4.18 0.70 2.11 2.00 -1.26 -4.96 119.66 118.91 1d4m s GLN 52 Ca 0.65 2.36 -0.10 0.00 -2.00 0.00 0.00 55.36 56.27 1d4m s GLN 52 Cb -0.15 -3.80 0.02 0.00 0.80 0.00 0.00 33.01 29.88 1d4m s GLN 52 CO 0.25 -0.81 1.07 -1.25 -0.50 0.00 0.00 175.29 174.05 1d4m s PRO 53 N 3.35 2.72 -0.04 1.67 0.04 -1.26 -4.93 135.00 136.55 1d4m s PRO 53 Ca 0.77 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1d4m s PRO 53 Cb -0.39 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1d4m s PRO 53 CO 0.33 -1.07 0.12 0.99 0.04 0.00 0.00 177.00 177.41 1d4m s THR 54 N -3.33 5.05 -0.42 1.26 2.01 -0.88 -4.93 115.64 114.41 1d4m s THR 54 Ca 0.58 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1d4m s THR 54 Cb -0.11 -3.29 0.16 0.00 0.01 0.00 0.00 72.50 69.27 1d4m s THR 54 CO 0.50 0.42 0.30 -1.10 -0.69 0.00 0.00 174.62 174.05 1d4m s GLN 55 N -1.57 0.96 0.55 4.92 -0.21 -1.26 -2.13 119.66 120.93 1d4m s GLN 55 Ca 0.22 -1.94 0.28 0.00 0.02 0.00 0.00 55.36 53.94 1d4m s GLN 55 Cb -0.12 -1.67 1.55 0.00 1.00 0.00 0.00 33.01 33.77 1d4m s GLN 55 CO 0.12 -1.29 1.85 -1.35 -2.12 0.00 0.00 175.29 172.50 1d4m h PRO 56 N 6.22 0.00 0.00 2.91 0.11 -1.97 -3.47 132.00 135.80 1d4m h PRO 56 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1d4m h PRO 56 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1d4m h PRO 56 CO 0.38 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.70 1d4m n ASP 57 N -2.68 0.00 0.01 -2.05 2.03 -1.26 -2.86 116.55 109.74 1d4m n ASP 57 Ca -0.02 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.50 1d4m n ASP 57 Cb 0.26 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.37 1d4m n ASP 57 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1d4m h VAL 58 N 0.00 0.67 -0.01 5.18 -1.51 -1.91 0.35 116.25 119.01 1d4m h VAL 58 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1d4m h VAL 58 Cb 0.00 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1d4m h VAL 58 CO 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 177.57 176.00 1d4m h ALA 59 N 1.70 1.42 0.00 5.19 0.00 -1.95 -3.35 119.26 122.27 1d4m h ALA 59 Ca 0.25 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1d4m h ALA 59 Cb 1.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1d4m h ALA 59 CO -0.00 0.44 -1.55 0.25 0.00 0.00 0.00 179.25 178.39 1d4m n THR 60 N -4.13 0.55 -2.84 0.00 -2.24 -0.59 -4.46 114.28 100.57 1d4m n THR 60 Ca -0.02 -0.26 -0.44 0.00 -2.27 0.00 0.00 64.05 61.07 1d4m n THR 60 Cb 0.38 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1d4m n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d4m s ARG 62 N 2.44 1.53 -0.08 0.00 1.70 -1.26 -3.47 118.95 119.81 1d4m s ARG 62 Ca 0.45 -1.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.29 1d4m s ARG 62 Cb -0.01 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.85 1d4m s ARG 62 CO 0.01 -0.65 0.96 -0.06 -1.08 0.00 0.00 175.30 174.48 1d4m s PHE 63 N -3.97 3.55 -0.14 5.89 0.08 -1.26 -3.91 117.98 118.22 1d4m s PHE 63 Ca 0.18 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.80 1d4m s PHE 63 Cb -0.01 -3.12 -0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1d4m s PHE 63 CO 0.06 -0.14 -0.16 0.71 -0.10 0.00 0.00 175.22 175.59 1d4m s TYR 64 N 1.63 2.75 -0.28 0.36 2.02 0.09 -4.93 117.35 118.99 1d4m s TYR 64 Ca 0.47 -0.96 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 1d4m s TYR 64 Cb -0.19 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1d4m s TYR 64 CO 0.20 -0.41 0.17 0.99 -1.57 0.00 0.00 175.55 174.94 1d4m s THR 65 N 0.62 5.10 0.90 -0.71 2.01 -1.26 -0.61 115.64 121.69 1d4m s THR 65 Ca -0.09 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1d4m s THR 65 Cb -0.16 -3.45 0.13 0.00 0.01 0.00 0.00 72.50 69.03 1d4m s THR 65 CO 0.03 0.23 1.18 -0.76 -0.69 0.00 0.00 174.62 174.61 1d4m s LEU 66 N 1.72 2.25 0.47 4.42 1.02 -0.58 -5.01 118.68 122.98 1d4m s LEU 66 Ca 0.07 0.76 -0.24 0.00 0.02 0.00 0.00 54.13 54.73 1d4m s LEU 66 Cb -0.16 -3.07 -0.07 0.00 0.02 0.00 0.00 46.19 42.91 1d4m s LEU 66 CO 0.09 -2.42 1.36 -1.81 0.02 0.00 0.00 176.35 173.59 1d4m s ASP 67 N -4.38 5.80 0.73 2.29 1.01 -1.26 -4.66 116.67 116.19 1d4m s ASP 67 Ca 0.65 2.76 -0.10 0.00 0.71 0.00 0.00 52.55 56.57 1d4m s ASP 67 Cb -0.11 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.22 1d4m s ASP 67 CO 0.52 -1.21 1.09 -0.44 0.21 0.00 0.00 175.17 175.34 1d4m s SER 68 N -0.77 5.09 0.18 0.27 0.01 -1.26 -4.72 113.70 112.49 1d4m s SER 68 Ca 0.64 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.81 1d4m s SER 68 Cb -0.40 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 1d4m s SER 68 CO 0.50 -1.52 0.03 0.27 0.41 0.00 0.00 173.24 172.93 1d4m s ILE 69 N -3.38 0.55 -0.18 1.44 -4.36 -0.69 -4.99 121.20 109.59 1d4m s ILE 69 Ca 0.59 -1.97 -0.06 0.00 -0.26 0.00 0.00 60.65 58.95 1d4m s ILE 69 Cb -0.11 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 1d4m s ILE 69 CO 0.49 -0.40 0.03 -0.54 0.24 0.00 0.00 174.94 174.76 1d4m s LYS 70 N -3.96 3.83 -0.34 0.37 1.02 -1.26 -0.87 119.74 118.52 1d4m s LYS 70 Ca 0.26 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 1d4m s LYS 70 Cb 0.07 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1d4m s LYS 70 CO 0.05 0.20 0.41 -0.46 -0.92 0.00 0.00 175.35 174.63 1d4m s TRP 71 N 0.55 3.20 0.33 3.18 -0.00 0.11 -4.94 118.94 121.37 1d4m s TRP 71 Ca 0.01 0.07 0.09 0.00 -0.00 0.00 0.00 56.10 56.27 1d4m s TRP 71 Cb -0.13 -2.74 -0.05 0.00 -0.00 0.00 0.00 33.47 30.54 1d4m s TRP 71 CO 0.02 -0.45 -0.01 -1.21 -0.00 0.00 0.00 176.95 175.29 1d4m s GLU 72 N 2.14 2.06 0.38 5.86 2.02 -1.26 -1.88 118.70 128.01 1d4m s GLU 72 Ca 0.14 -1.72 0.18 0.00 0.02 0.00 0.00 54.97 53.59 1d4m s GLU 72 Cb -0.16 -1.93 1.11 0.00 0.10 0.00 0.00 34.13 33.24 1d4m s GLU 72 CO 0.12 0.18 1.73 0.87 0.02 0.00 0.00 175.26 178.18 1d4m h LYS 73 N 1.86 0.37 -0.65 1.61 1.57 -1.92 -0.29 116.57 119.12 1d4m h LYS 73 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1d4m h LYS 73 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1d4m h LYS 73 CO 0.66 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 1d4m n GLY 74 N -1.44 2.37 3.75 3.86 0.00 -1.26 -4.36 105.19 108.11 1d4m n GLY 74 Ca 0.28 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1d4m n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d4m s SER 75 N -0.89 5.00 -0.01 1.61 0.01 -0.12 -4.98 113.70 114.32 1d4m s SER 75 Ca 0.46 2.32 0.02 0.00 1.31 0.00 0.00 55.95 60.05 1d4m s SER 75 Cb 0.28 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1d4m s SER 75 CO 0.24 -1.72 0.03 0.55 0.41 0.00 0.00 173.24 172.76 1d4m n VAL 76 N -1.92 0.05 0.00 3.43 3.14 -1.26 -4.89 118.33 116.88 1d4m n VAL 76 Ca 0.13 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1d4m n VAL 76 Cb 0.50 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1d4m n VAL 76 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1d4m n GLY 77 N 2.58 3.99 3.17 7.55 0.00 -1.26 -4.18 105.19 117.05 1d4m n GLY 77 Ca -0.01 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1d4m n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1d4m s TRP 78 N -2.00 0.67 0.01 1.61 0.51 -0.39 -1.55 118.94 117.80 1d4m s TRP 78 Ca 0.00 -1.08 -0.11 0.00 -2.12 0.00 0.00 56.10 52.79 1d4m s TRP 78 Cb 0.00 -0.37 0.01 0.00 -0.81 0.00 0.00 33.47 32.30 1d4m s TRP 78 CO 0.00 -0.53 0.22 1.67 -0.51 0.00 0.00 176.95 177.80 1d4m s TRP 79 N -4.00 -0.03 -0.02 -1.98 -2.14 -0.21 -1.10 118.94 109.46 1d4m s TRP 79 Ca 0.18 -0.05 0.01 0.00 2.66 0.00 0.00 56.10 58.90 1d4m s TRP 79 Cb 0.07 0.01 0.02 0.00 -3.10 0.00 0.00 33.47 30.46 1d4m s TRP 79 CO -0.02 -0.38 -0.01 -1.58 -2.66 0.00 0.00 176.95 172.30 1d4m s TRP 80 N -1.83 0.27 -0.12 1.66 0.51 -0.24 -1.80 118.94 117.39 1d4m s TRP 80 Ca -0.11 -0.01 -0.09 0.00 -2.12 0.00 0.00 56.10 53.77 1d4m s TRP 80 Cb -0.04 -0.30 -0.04 0.00 -0.81 0.00 0.00 33.47 32.27 1d4m s TRP 80 CO 0.00 -0.08 0.18 0.15 -0.51 0.00 0.00 176.95 176.69 1d4m s LYS 81 N 0.57 3.65 0.08 4.98 1.02 -1.26 -0.79 119.74 127.99 1d4m s LYS 81 Ca -0.06 -0.07 0.07 0.00 0.02 0.00 0.00 55.97 55.93 1d4m s LYS 81 Cb -0.09 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1d4m s LYS 81 CO -0.01 0.67 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.91 1d4m s PHE 82 N -0.74 2.72 -1.45 3.18 0.40 -0.10 -0.61 117.98 121.38 1d4m s PHE 82 Ca 0.15 -0.16 0.27 0.00 -0.60 0.00 0.00 56.93 56.59 1d4m s PHE 82 Cb -0.12 -1.46 1.38 0.00 0.51 0.00 0.00 43.02 43.33 1d4m s PHE 82 CO 0.04 0.39 1.93 -0.35 0.70 0.00 0.00 175.22 177.93 1d4m n PRO 83 N 0.96 0.40 -0.30 0.24 -0.05 -1.26 -1.38 135.00 133.61 1d4m n PRO 83 Ca -0.14 0.03 0.10 0.00 -0.05 0.00 0.00 63.50 63.44 1d4m n PRO 83 Cb 0.52 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.70 1d4m n PRO 83 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1d4m h GLU 84 N 0.00 0.07 -0.43 0.54 4.57 -1.77 0.11 114.58 117.67 1d4m h GLU 84 Ca 0.00 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1d4m h GLU 84 Cb 0.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1d4m h GLU 84 CO 0.00 0.05 0.46 0.00 -1.18 0.00 0.00 179.01 178.34 1d4m h ALA 85 N 1.85 2.15 -0.41 2.92 0.00 -0.95 0.85 119.26 125.68 1d4m h ALA 85 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1d4m h ALA 85 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1d4m h ALA 85 CO -0.79 -0.68 0.00 1.28 0.00 0.00 0.00 179.25 179.06 1d4m n LEU 86 N -3.73 3.27 0.23 0.00 4.77 0.38 -3.45 117.00 118.47 1d4m n LEU 86 Ca 0.08 -1.66 0.13 0.00 -0.03 0.00 0.00 56.01 54.53 1d4m n LEU 86 Cb 0.64 -0.27 0.70 0.00 -2.33 0.00 0.00 43.42 42.17 1d4m n LEU 86 CO 0.28 0.75 0.95 0.77 -1.33 0.00 0.00 177.39 178.80 1d4m h SER 87 N 3.61 0.00 -0.12 -1.43 4.64 -0.70 -1.19 113.55 118.36 1d4m h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d4m h SER 87 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1d4m h SER 87 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1d4m n ASP 88 N -2.49 2.27 -4.56 4.97 8.00 -1.26 -4.38 116.55 119.10 1d4m n ASP 88 Ca -0.02 -1.64 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 1d4m n ASP 88 Cb 0.17 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1d4m n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1d4m s MET 89 N -0.96 3.41 0.00 -1.24 -1.94 -0.45 -4.85 119.30 113.27 1d4m s MET 89 Ca 0.17 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1d4m s MET 89 Cb 0.10 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.88 1d4m s MET 89 CO 0.15 -1.75 0.00 0.41 -0.01 0.00 0.00 175.02 173.82 1d4m n GLY 90 N 5.14 1.52 0.18 -0.03 0.00 -1.26 -1.12 105.19 109.62 1d4m n GLY 90 Ca 0.06 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1d4m n GLY 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1d4m h LEU 91 N 0.00 0.00 -0.08 0.99 3.38 -1.94 -2.36 115.31 115.30 1d4m h LEU 91 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1d4m h LEU 91 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d4m h LEU 91 CO 0.00 0.00 -0.00 0.15 0.09 0.00 0.00 178.44 178.68 1d4m h PHE 92 N 0.00 0.16 -0.74 1.13 3.57 -1.59 -0.75 116.94 118.72 1d4m h PHE 92 Ca 0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1d4m h PHE 92 Cb 0.52 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1d4m h PHE 92 CO 0.00 0.42 0.31 0.78 -2.23 0.00 0.00 178.31 177.60 1d4m h GLY 93 N -0.15 1.18 1.00 2.40 0.00 -0.83 -1.98 103.07 104.69 1d4m h GLY 93 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1d4m h GLY 93 CO 0.01 0.60 0.31 1.46 0.00 0.00 0.00 176.54 178.91 1d4m h GLN 94 N 1.07 0.65 -0.18 4.80 1.08 -1.31 -1.85 115.11 119.36 1d4m h GLN 94 Ca 0.25 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1d4m h GLN 94 Cb 0.19 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1d4m h GLN 94 CO -0.02 0.45 -0.15 -0.91 -0.95 0.00 0.00 178.83 177.25 1d4m h ASN 95 N 0.66 0.29 -0.63 1.46 2.35 -0.91 -2.03 115.58 116.76 1d4m h ASN 95 Ca 0.18 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1d4m h ASN 95 Cb -0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1d4m h ASN 95 CO -0.04 0.46 0.16 0.24 -1.65 0.00 0.00 177.43 176.60 1d4m h MET 96 N 0.28 1.04 -0.22 0.81 2.86 -0.79 -2.84 114.93 116.06 1d4m h MET 96 Ca 0.05 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.27 1d4m h MET 96 Cb 0.44 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1d4m h MET 96 CO 0.03 0.92 -0.59 1.96 1.06 0.00 0.00 176.91 180.29 1d4m h GLN 97 N 0.99 0.72 0.00 1.72 4.20 -0.67 -3.29 115.11 118.78 1d4m h GLN 97 Ca 0.21 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1d4m h GLN 97 Cb 0.35 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1d4m h GLN 97 CO 0.00 1.10 -0.14 0.66 -0.67 0.00 0.00 178.83 179.78 1d4m n TYR 98 N -3.97 0.10 -5.03 2.96 4.01 -0.89 -1.25 117.16 113.09 1d4m n TYR 98 Ca -0.04 0.03 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1d4m n TYR 98 Cb 0.64 -0.49 -0.14 0.00 -0.31 0.00 0.00 39.34 39.04 1d4m n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1d4m s HIS 99 N -3.02 2.51 0.13 -0.72 3.76 -1.08 -1.64 115.29 115.23 1d4m s HIS 99 Ca 0.13 -0.30 -0.12 0.00 -0.15 0.00 0.00 55.06 54.62 1d4m s HIS 99 Cb 0.18 -1.54 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 1d4m s HIS 99 CO 0.58 0.10 1.40 -0.92 -0.85 0.00 0.00 174.74 175.06 1d4m h TYR 100 N 5.26 1.11 -4.02 1.40 3.20 -1.13 -3.46 116.97 119.34 1d4m h TYR 100 Ca -0.45 -0.40 -0.65 0.00 3.14 0.00 0.00 58.73 60.37 1d4m h TYR 100 Cb 1.14 -0.21 -0.23 0.00 1.54 0.00 0.00 36.73 38.97 1d4m h TYR 100 CO 0.46 1.23 -0.86 -0.51 -1.64 0.00 0.00 178.16 176.84 1d4m s LEU 101 N -8.69 2.27 0.17 2.82 1.43 -0.67 -3.98 118.68 112.02 1d4m s LEU 101 Ca -0.11 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1d4m s LEU 101 Cb 0.10 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1d4m s LEU 101 CO 0.89 0.17 0.32 -0.83 0.23 0.00 0.00 176.35 177.13 1d4m s GLY 102 N -1.77 0.39 -0.27 -3.19 0.00 -0.18 -1.33 107.32 100.96 1d4m s GLY 102 Ca 0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.84 1d4m s GLY 102 CO 0.04 -0.75 0.71 -1.60 0.00 0.00 0.00 173.10 171.50 1d4m s ARG 103 N -3.95 0.77 -0.07 2.90 3.52 -0.61 -2.46 118.95 119.05 1d4m s ARG 103 Ca 0.16 1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 56.56 1d4m s ARG 103 Cb 0.03 0.28 0.11 0.00 -1.56 0.00 0.00 34.95 33.81 1d4m s ARG 103 CO -0.01 -0.12 0.93 0.00 -0.81 0.00 0.00 175.30 175.29 1d4m s ALA 104 N 0.98 -1.87 0.51 6.12 0.00 -1.26 -1.82 121.76 124.42 1d4m s ALA 104 Ca -0.05 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.21 1d4m s ALA 104 Cb -0.05 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1d4m s ALA 104 CO -0.09 -0.54 0.26 0.20 0.00 0.00 0.00 175.76 175.59 1d4m s GLY 105 N -1.96 2.53 -0.00 0.00 0.00 -0.26 -4.08 107.32 103.54 1d4m s GLY 105 Ca 0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.40 1d4m s GLY 105 CO -0.05 -1.99 0.31 -0.19 0.00 0.00 0.00 173.10 171.18 1d4m s TYR 106 N -2.76 -0.16 -0.31 1.90 2.02 0.15 0.38 117.35 118.57 1d4m s TYR 106 Ca 0.28 0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 57.11 1d4m s TYR 106 Cb -0.00 0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.67 1d4m s TYR 106 CO 0.17 -0.42 0.10 0.99 -1.57 0.00 0.00 175.55 174.83 1d4m s THR 107 N -1.60 4.06 -0.24 -0.71 2.01 0.14 -0.07 115.64 119.23 1d4m s THR 107 Ca -0.12 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 1d4m s THR 107 Cb -0.04 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1d4m s THR 107 CO 0.03 0.01 0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 1d4m s ILE 108 N 1.50 4.99 -0.30 1.82 1.01 0.79 -1.21 121.20 129.81 1d4m s ILE 108 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1d4m s ILE 108 Cb -0.18 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.06 1d4m s ILE 108 CO 0.03 0.35 0.02 -2.28 0.00 0.00 0.00 174.94 173.06 1d4m s HIS 109 N 1.16 3.00 -0.24 3.97 2.46 0.26 -1.01 115.29 124.89 1d4m s HIS 109 Ca 0.06 -2.40 -0.16 0.00 0.47 0.00 0.00 55.06 53.02 1d4m s HIS 109 Cb -0.14 -2.28 -0.04 0.00 -0.13 0.00 0.00 32.58 30.00 1d4m s HIS 109 CO 0.05 -0.89 0.43 0.08 -2.47 0.00 0.00 174.74 171.93 1d4m s VAL 110 N 1.17 5.15 -0.13 0.89 1.01 0.10 -1.50 120.40 127.10 1d4m s VAL 110 Ca 0.05 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 1d4m s VAL 110 Cb -0.19 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1d4m s VAL 110 CO -0.11 0.18 0.00 -1.10 0.00 0.00 0.00 175.10 174.07 1d4m s GLN 111 N 1.80 3.42 -0.29 2.72 -0.21 0.70 -1.00 119.66 126.80 1d4m s GLN 111 Ca 0.19 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 55.15 1d4m s GLN 111 Cb -0.15 -2.92 0.19 0.00 1.00 0.00 0.00 33.01 31.13 1d4m s GLN 111 CO 0.09 0.46 0.67 0.00 -2.12 0.00 0.00 175.29 174.39 1d4m s ASN 113 N 2.86 4.84 0.00 0.00 4.22 -1.26 -4.28 114.94 121.32 1d4m s ASN 113 Ca 0.14 -0.05 0.00 0.00 -2.14 0.00 0.00 52.86 50.81 1d4m s ASN 113 Cb -0.10 -1.21 0.00 0.00 1.28 0.00 0.00 41.25 41.21 1d4m s ASN 113 CO -0.24 0.30 0.00 0.00 -2.04 0.00 0.00 177.10 175.13 1d4m n ALA 114 N 1.67 0.00 -3.73 3.54 0.00 -1.26 -4.79 120.51 115.93 1d4m n ALA 114 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1d4m n ALA 114 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1d4m n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1d4m s SER 115 N 1.00 -0.17 0.00 0.00 1.04 -1.26 -5.01 113.70 109.30 1d4m s SER 115 Ca 0.00 -0.36 0.12 0.00 0.48 0.00 0.00 55.95 56.19 1d4m s SER 115 Cb 0.00 0.45 0.54 0.00 0.10 0.00 0.00 66.02 67.12 1d4m s SER 115 CO 0.00 -0.83 1.36 0.29 0.98 0.00 0.00 173.24 175.04 1d4m n LYS 116 N -0.46 0.05 -0.01 4.02 4.76 -1.26 -2.28 118.16 122.98 1d4m n LYS 116 Ca -0.06 0.26 0.09 0.00 -2.87 0.00 0.00 58.31 55.72 1d4m n LYS 116 Cb 0.61 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.38 1d4m n LYS 116 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1d4m n PHE 117 N -1.44 0.02 -3.78 2.13 3.01 -1.26 -4.97 117.46 111.17 1d4m n PHE 117 Ca 0.04 -0.01 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 1d4m n PHE 117 Cb 0.13 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1d4m n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1d4m s HIS 118 N -1.44 3.47 0.04 1.38 3.76 -0.97 -4.58 115.29 116.96 1d4m s HIS 118 Ca 0.21 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1d4m s HIS 118 Cb 0.15 -1.71 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 1d4m s HIS 118 CO 0.22 0.36 -0.05 1.14 -0.85 0.00 0.00 174.74 175.56 1d4m s GLN 119 N -3.86 0.50 0.00 1.40 -2.07 -0.76 -4.65 119.66 110.22 1d4m s GLN 119 Ca 0.36 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 53.04 1d4m s GLN 119 Cb -0.10 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 1d4m s GLN 119 CO 0.31 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.66 1d4m n GLY 120 N 1.06 3.25 3.30 2.60 0.00 -1.26 -1.75 105.19 112.39 1d4m n GLY 120 Ca -0.20 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1d4m n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4m s LEU 122 N 2.18 3.35 -0.19 0.00 1.43 -0.12 -0.54 118.68 124.79 1d4m s LEU 122 Ca -0.05 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1d4m s LEU 122 Cb -0.10 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1d4m s LEU 122 CO -0.13 0.26 0.12 -0.22 0.23 0.00 0.00 176.35 176.60 1d4m s LEU 123 N -1.66 4.15 -0.29 1.79 2.96 0.04 -1.18 118.68 124.50 1d4m s LEU 123 Ca 0.20 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1d4m s LEU 123 Cb -0.11 -2.07 0.06 0.00 0.50 0.00 0.00 46.19 44.57 1d4m s LEU 123 CO 0.11 0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.60 1d4m s VAL 124 N 0.26 2.60 0.16 1.68 1.01 0.15 -1.49 120.40 124.76 1d4m s VAL 124 Ca 0.08 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 60.57 1d4m s VAL 124 Cb -0.11 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1d4m s VAL 124 CO -0.01 -0.11 -0.17 -0.69 0.00 0.00 0.00 175.10 174.11 1d4m s VAL 125 N 1.16 1.69 -0.24 2.92 1.01 -0.71 -1.32 120.40 124.91 1d4m s VAL 125 Ca -0.06 -1.88 0.02 0.00 0.00 0.00 0.00 61.98 60.06 1d4m s VAL 125 Cb -0.20 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.46 1d4m s VAL 125 CO -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 175.10 174.62 1d4m s VAL 127 N 1.25 5.24 0.30 0.00 1.01 0.30 -4.14 120.40 124.37 1d4m s VAL 127 Ca -0.07 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1d4m s VAL 127 Cb -0.19 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1d4m s VAL 127 CO -0.06 -0.19 1.22 -2.84 0.00 0.00 0.00 175.10 173.23 1d4m s PRO 128 N 1.69 4.48 -1.22 2.72 0.02 -1.26 -0.65 135.00 140.77 1d4m s PRO 128 Ca 0.05 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 1d4m s PRO 128 Cb -0.18 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1d4m s PRO 128 CO 0.10 -0.02 0.69 0.39 -0.33 0.00 0.00 177.00 177.82 1d4m n GLU 129 N 1.07 -2.09 -1.52 5.54 -0.58 -0.48 -4.83 120.64 117.74 1d4m n GLU 129 Ca -0.00 0.45 -0.40 0.00 -0.42 0.00 0.00 57.16 56.79 1d4m n GLU 129 Cb 0.43 -4.31 -0.02 0.00 -0.57 0.00 0.00 31.44 26.98 1d4m n GLU 129 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d4m n ALA 130 N -4.26 6.63 -1.92 0.62 0.00 -1.24 -4.93 120.51 115.41 1d4m n ALA 130 Ca -0.17 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.15 1d4m n ALA 130 Cb 0.62 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.60 1d4m n ALA 130 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1d4m s GLU 131 N 2.58 4.20 0.18 0.00 2.12 -1.26 -5.00 118.70 121.52 1d4m s GLU 131 Ca 0.59 2.35 0.08 0.00 0.36 0.00 0.00 54.97 58.35 1d4m s GLU 131 Cb 0.16 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1d4m s GLU 131 CO -0.07 -0.70 -0.00 -1.64 -0.54 0.00 0.00 175.26 172.30 1d4m s MET 132 N 2.21 2.38 0.29 4.30 -1.94 -1.26 -4.64 119.30 120.65 1d4m s MET 132 Ca 0.73 -1.14 -0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1d4m s MET 132 Cb -0.41 -2.33 -0.06 0.00 2.01 0.00 0.00 34.83 34.04 1d4m s MET 132 CO 0.32 0.45 0.58 0.20 -0.01 0.00 0.00 175.02 176.55 1d4m s GLY 133 N -3.00 1.93 0.64 -0.03 0.00 -0.85 -5.01 107.32 101.00 1d4m s GLY 133 Ca 0.28 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1d4m s GLY 133 CO 0.18 -0.36 1.04 -0.32 0.00 0.00 0.00 173.10 173.65 1d4m s GLY 134 N -3.04 1.80 0.25 0.20 0.00 -1.26 -0.91 107.32 104.36 1d4m s GLY 134 Ca 0.45 0.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.23 1d4m s GLY 134 CO 0.29 0.41 1.90 0.00 0.00 0.00 0.00 173.10 175.70 1d4m h ALA 135 N -0.20 1.25 -3.04 3.20 0.00 -1.13 -3.33 119.26 116.00 1d4m h ALA 135 Ca -0.45 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 53.70 1d4m h ALA 135 Cb 1.20 -0.37 -0.33 0.00 0.00 0.00 0.00 17.79 18.30 1d4m h ALA 135 CO 0.59 0.65 -0.81 0.14 0.00 0.00 0.00 179.25 179.81 1d4m s VAL 136 N -5.93 2.49 0.20 0.00 -7.23 -1.26 -4.79 120.40 103.87 1d4m s VAL 136 Ca -0.13 -0.80 -0.33 0.00 -1.81 0.00 0.00 61.98 58.92 1d4m s VAL 136 Cb 0.17 -2.08 -0.14 0.00 0.56 0.00 0.00 36.38 34.89 1d4m s VAL 136 CO 0.82 0.50 1.52 1.33 -0.31 0.00 0.00 175.10 178.96 1d4m n VAL 137 N 4.68 0.37 0.00 1.32 0.24 -1.26 -1.52 118.33 122.15 1d4m n VAL 137 Ca -0.20 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1d4m n VAL 137 Cb 0.50 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 1d4m n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d4m n GLY 138 N 2.94 3.15 3.64 7.63 0.00 -1.26 -5.03 105.19 116.26 1d4m n GLY 138 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1d4m n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4m s GLN 139 N -0.39 4.14 0.47 1.61 -1.52 -0.58 -5.05 119.66 118.34 1d4m s GLN 139 Ca 0.00 0.85 -0.21 0.00 -1.95 0.00 0.00 55.36 54.05 1d4m s GLN 139 Cb 0.00 -3.66 -0.08 0.00 -0.22 0.00 0.00 33.01 29.05 1d4m s GLN 139 CO 0.00 -0.54 1.07 0.00 -0.25 0.00 0.00 175.29 175.57 1d4m s ALA 140 N 2.84 2.91 0.39 6.09 0.00 -1.26 -4.73 121.76 128.01 1d4m s ALA 140 Ca 0.34 0.70 0.06 0.00 0.00 0.00 0.00 51.96 53.06 1d4m s ALA 140 Cb -0.15 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1d4m s ALA 140 CO 0.08 -0.39 0.02 -0.59 0.00 0.00 0.00 175.76 174.89 1d4m s PHE 141 N -1.82 2.41 0.40 0.00 -0.12 -1.26 -4.89 117.98 112.70 1d4m s PHE 141 Ca 0.65 -0.73 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1d4m s PHE 141 Cb -0.20 -1.68 -0.01 0.00 -0.63 0.00 0.00 43.02 40.50 1d4m s PHE 141 CO 0.24 0.36 0.45 -1.54 -0.05 0.00 0.00 175.22 174.68 1d4m s SER 142 N -3.67 5.39 0.46 1.98 1.04 -1.26 -5.00 113.70 112.65 1d4m s SER 142 Ca 0.35 -0.54 0.22 0.00 0.48 0.00 0.00 55.95 56.46 1d4m s SER 142 Cb 0.10 -0.72 1.22 0.00 0.10 0.00 0.00 66.02 66.72 1d4m s SER 142 CO 0.17 -0.63 1.89 0.00 0.98 0.00 0.00 173.24 175.66 1d4m h ALA 143 N 0.90 2.39 0.00 5.32 0.00 -1.98 0.60 119.26 126.49 1d4m h ALA 143 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d4m h ALA 143 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1d4m h ALA 143 CO 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1d4m h THR 144 N 0.25 0.00 0.00 0.00 1.03 -1.95 -0.69 112.91 111.55 1d4m h THR 144 Ca 0.41 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1d4m h THR 144 Cb 1.24 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1d4m h THR 144 CO -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.41 1d4m n ALA 145 N -1.98 2.27 0.00 0.00 0.00 0.20 -4.24 120.51 116.77 1d4m n ALA 145 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1d4m n ALA 145 Cb 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1d4m n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d4m n MET 146 N -1.60 2.86 -3.55 0.00 0.00 -0.34 -4.45 117.12 110.03 1d4m n MET 146 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.59 1d4m n MET 146 Cb 0.34 -0.75 -0.06 0.00 0.00 0.00 0.00 33.22 32.74 1d4m n MET 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1d4m s ALA 147 N -1.07 -1.69 -0.37 3.17 0.00 -0.75 -4.61 121.76 116.44 1d4m s ALA 147 Ca 0.00 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1d4m s ALA 147 Cb 0.00 -0.16 0.19 0.00 0.00 0.00 0.00 23.12 23.16 1d4m s ALA 147 CO 0.00 -0.36 0.92 1.21 0.00 0.00 0.00 175.76 177.53 1d4m s ASN 148 N -0.98 -0.75 0.68 0.00 2.47 -1.26 -4.20 114.94 110.90 1d4m s ASN 148 Ca -0.10 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.63 1d4m s ASN 148 Cb -0.01 0.97 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 1d4m s ASN 148 CO 0.08 -0.06 0.00 0.61 -3.72 0.00 0.00 177.10 174.01 1d4m n GLY 149 N 3.53 1.24 1.38 1.21 0.00 -1.26 -2.64 105.19 108.64 1d4m n GLY 149 Ca 0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1d4m n GLY 149 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d4m n ASP 150 N -0.15 3.61 -4.70 1.61 3.85 -1.22 -3.74 116.55 115.81 1d4m n ASP 150 Ca 0.00 -2.61 -0.42 0.00 -0.71 0.00 0.00 54.79 51.05 1d4m n ASP 150 Cb 0.00 -0.62 -0.03 0.00 -1.35 0.00 0.00 41.12 39.12 1d4m n ASP 150 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1d4m s LYS 151 N -1.96 4.32 0.07 0.11 2.20 -1.08 -4.58 119.74 118.82 1d4m s LYS 151 Ca 0.31 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 1d4m s LYS 151 Cb 0.24 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1d4m s LYS 151 CO 0.08 -0.49 1.09 0.00 -0.36 0.00 0.00 175.35 175.68 1d4m s ALA 152 N 1.91 3.31 -0.00 3.13 0.00 -1.26 -4.69 121.76 124.16 1d4m s ALA 152 Ca 0.63 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 1d4m s ALA 152 Cb -0.32 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1d4m s ALA 152 CO 0.27 -0.29 0.18 0.71 0.00 0.00 0.00 175.76 176.63 1d4m s TYR 153 N 0.67 3.53 0.03 0.00 2.02 -0.75 -4.94 117.35 117.91 1d4m s TYR 153 Ca 0.54 0.34 0.08 0.00 -0.37 0.00 0.00 57.07 57.66 1d4m s TYR 153 Cb -0.26 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1d4m s TYR 153 CO 0.30 0.64 -0.22 -1.83 -1.57 0.00 0.00 175.55 172.87 1d4m s GLU 154 N -1.97 1.99 0.77 -0.62 -1.05 -1.26 -1.04 118.70 115.52 1d4m s GLU 154 Ca 0.28 -1.01 -0.10 0.00 -0.15 0.00 0.00 54.97 53.98 1d4m s GLU 154 Cb -0.13 -2.10 0.07 0.00 -0.44 0.00 0.00 34.13 31.53 1d4m s GLU 154 CO 0.19 0.54 1.11 -0.06 0.95 0.00 0.00 175.26 177.99 1d4m s PHE 155 N -0.84 2.94 0.15 4.83 0.08 -0.60 -4.95 117.98 119.59 1d4m s PHE 155 Ca 0.13 0.63 0.03 0.00 0.12 0.00 0.00 56.93 57.84 1d4m s PHE 155 Cb -0.10 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 1d4m s PHE 155 CO 0.03 -1.62 -0.05 0.95 -0.10 0.00 0.00 175.22 174.43 1d4m s THR 156 N -3.44 0.86 -0.12 0.64 -4.23 0.16 -4.54 115.64 104.96 1d4m s THR 156 Ca 0.61 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1d4m s THR 156 Cb -0.11 -1.94 -0.27 0.00 1.34 0.00 0.00 72.50 71.52 1d4m s THR 156 CO 0.47 -0.65 0.81 0.28 -0.54 0.00 0.00 174.62 174.99 1d4m h SER 157 N 2.77 0.12 -4.27 3.99 0.02 -1.96 0.16 113.55 114.38 1d4m h SER 157 Ca -0.36 -0.98 -0.51 0.00 -0.84 0.00 0.00 61.79 59.09 1d4m h SER 157 Cb 1.19 -0.04 0.11 0.00 0.14 0.00 0.00 62.40 63.80 1d4m h SER 157 CO 0.64 1.09 0.35 0.00 -1.14 0.00 0.00 176.83 177.77 1d4m s ALA 158 N -2.29 2.45 0.24 3.77 0.00 -1.26 -4.56 121.76 120.11 1d4m s ALA 158 Ca -0.18 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1d4m s ALA 158 Cb -0.02 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 1d4m s ALA 158 CO 0.72 -1.41 0.99 0.95 0.00 0.00 0.00 175.76 177.01 1d4m s THR 159 N -2.71 3.95 0.21 0.00 -4.23 -1.26 -4.16 115.64 107.45 1d4m s THR 159 Ca 0.63 1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 62.76 1d4m s THR 159 Cb -0.17 -4.23 -0.09 0.00 1.34 0.00 0.00 72.50 69.35 1d4m s THR 159 CO 0.49 0.45 1.29 -1.58 -0.54 0.00 0.00 174.62 174.73 1d4m s GLN 160 N -1.14 4.40 -0.12 3.99 2.00 -1.26 -4.95 119.66 122.58 1d4m s GLN 160 Ca 0.43 2.05 0.11 0.00 -2.00 0.00 0.00 55.36 55.95 1d4m s GLN 160 Cb -0.27 -3.19 -0.15 0.00 0.80 0.00 0.00 33.01 30.20 1d4m s GLN 160 CO 0.34 -0.22 0.05 0.43 -0.50 0.00 0.00 175.29 175.39 1d4m n SER 161 N 2.39 1.92 -4.60 6.67 7.64 -1.26 -4.72 113.62 121.66 1d4m n SER 161 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1d4m n SER 161 Cb 0.43 0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 64.42 1d4m n SER 161 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1d4m s ASP 162 N -4.52 5.85 0.18 6.43 3.68 -1.26 -4.82 116.67 122.20 1d4m s ASP 162 Ca -0.06 1.44 0.17 0.00 2.13 0.00 0.00 52.55 56.23 1d4m s ASP 162 Cb 0.04 -2.52 0.78 0.00 -1.45 0.00 0.00 42.92 39.76 1d4m s ASP 162 CO 0.51 -1.72 1.51 0.00 0.13 0.00 0.00 175.17 175.61 1d4m n GLN 163 N 8.44 0.10 0.00 4.34 10.64 -1.26 -1.15 117.38 138.49 1d4m n GLN 163 Ca 0.24 0.46 0.14 0.00 -1.83 0.00 0.00 57.00 56.01 1d4m n GLN 163 Cb 0.46 -1.75 0.62 0.00 -0.86 0.00 0.00 30.24 28.71 1d4m n GLN 163 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1d4m n THR 164 N -1.96 0.00 -3.74 -0.39 -2.24 -1.26 -4.67 114.28 100.03 1d4m n THR 164 Ca 0.01 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1d4m n THR 164 Cb 0.12 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1d4m n THR 164 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d4m s LYS 165 N -2.52 2.40 0.41 -0.78 1.02 -0.30 -4.58 119.74 115.39 1d4m s LYS 165 Ca 0.28 -1.71 -0.05 0.00 0.02 0.00 0.00 55.97 54.50 1d4m s LYS 165 Cb 0.20 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1d4m s LYS 165 CO 0.48 -0.29 0.70 0.08 -0.92 0.00 0.00 175.35 175.40 1d4m s VAL 166 N -2.57 4.94 -0.82 3.17 1.01 -1.26 -0.79 120.40 124.07 1d4m s VAL 166 Ca 0.44 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 1d4m s VAL 166 Cb -0.02 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1d4m s VAL 166 CO 0.26 -0.64 1.80 -1.58 0.00 0.00 0.00 175.10 174.93 1d4m s GLN 167 N -4.27 2.77 0.00 2.72 2.00 -0.08 -4.20 119.66 118.60 1d4m s GLN 167 Ca 0.46 -0.15 0.28 0.00 -2.00 0.00 0.00 55.36 53.95 1d4m s GLN 167 Cb -0.10 -4.84 1.65 0.00 0.80 0.00 0.00 33.01 30.52 1d4m s GLN 167 CO 0.38 -2.93 2.04 0.25 -0.50 0.00 0.00 175.29 174.53 1d4m n THR 168 N 7.42 0.00 -1.56 -0.34 -2.24 -1.26 -3.88 114.28 112.42 1d4m n THR 168 Ca 0.30 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.60 1d4m n THR 168 Cb 0.49 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1d4m n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d4m n ALA 169 N -0.96 1.20 -0.25 6.98 0.00 -1.26 -0.67 120.51 125.56 1d4m n ALA 169 Ca 0.21 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1d4m n ALA 169 Cb 0.10 -2.64 0.18 0.00 0.00 0.00 0.00 19.45 17.08 1d4m n ALA 169 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1d4m h ILE 170 N 6.60 0.51 0.00 0.00 6.09 -0.92 -2.61 117.51 127.18 1d4m h ILE 170 Ca -0.38 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1d4m h ILE 170 Cb 1.28 0.23 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1d4m h ILE 170 CO 0.98 0.05 0.01 0.00 -3.07 0.00 0.00 178.15 176.12 1d4m n HIS 171 N -5.17 0.27 0.01 2.19 1.44 -1.26 -0.89 115.22 111.81 1d4m n HIS 171 Ca 0.14 0.14 0.03 0.00 -2.01 0.00 0.00 57.72 56.01 1d4m n HIS 171 Cb 0.45 -0.72 0.05 0.00 0.12 0.00 0.00 29.99 29.90 1d4m n HIS 171 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1d4m n ASN 172 N -1.77 2.12 -1.83 4.39 5.03 -0.99 -1.85 115.26 120.36 1d4m n ASN 172 Ca -0.01 -1.77 -0.06 0.00 0.87 0.00 0.00 54.58 53.62 1d4m n ASN 172 Cb 0.02 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.69 1d4m n ASN 172 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d4m n ALA 173 N 0.05 -0.50 -0.93 5.41 0.00 -0.07 -1.10 120.51 123.38 1d4m n ALA 173 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1d4m n ALA 173 Cb 0.27 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1d4m n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d4m n GLY 174 N -0.39 0.38 0.00 0.00 0.00 -1.25 -4.82 105.19 99.12 1d4m n GLY 174 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1d4m n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d4m n MET 175 N -1.52 0.90 -1.40 1.61 2.81 -0.26 -2.01 117.12 117.24 1d4m n MET 175 Ca 0.00 -0.33 -0.01 0.00 -1.81 0.00 0.00 57.70 55.56 1d4m n MET 175 Cb 0.14 -0.81 -0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1d4m n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1d4m n GLY 176 N 0.22 0.39 3.62 3.03 0.00 -0.85 -4.94 105.19 106.67 1d4m n GLY 176 Ca 0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1d4m n GLY 176 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d4m s VAL 177 N -2.02 1.11 -0.20 1.61 -7.23 -1.21 -5.09 120.40 107.36 1d4m s VAL 177 Ca 0.00 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 1d4m s VAL 177 Cb 0.00 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 1d4m s VAL 177 CO 0.00 0.00 0.90 -0.83 -0.31 0.00 0.00 175.10 174.86 1d4m s GLY 178 N -3.72 1.90 0.56 2.32 0.00 -1.26 -4.12 107.32 103.00 1d4m s GLY 178 Ca 0.20 0.04 0.26 0.00 0.00 0.00 0.00 44.72 45.22 1d4m s GLY 178 CO 0.10 1.87 2.02 -0.24 0.00 0.00 0.00 173.10 176.86 1d4m h VAL 179 N 5.33 0.60 0.00 1.40 3.04 -1.66 -0.68 116.25 124.28 1d4m h VAL 179 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1d4m h VAL 179 Cb 1.10 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1d4m h VAL 179 CO 0.89 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.06 1d4m n GLY 180 N -1.53 -0.92 0.90 3.17 0.00 -1.26 -2.76 105.19 102.79 1d4m n GLY 180 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1d4m n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d4m n ASN 181 N -1.11 3.12 0.00 1.61 3.02 -0.26 -4.42 115.26 117.22 1d4m n ASN 181 Ca 0.16 -1.91 0.06 0.00 -0.03 0.00 0.00 54.58 52.86 1d4m n ASN 181 Cb 0.13 -0.24 0.29 0.00 -0.61 0.00 0.00 39.78 39.34 1d4m n ASN 181 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1d4m n LEU 182 N 1.06 0.00 0.00 3.41 4.77 -1.11 -3.05 117.00 122.07 1d4m n LEU 182 Ca 0.16 0.33 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1d4m n LEU 182 Cb 0.50 -0.33 0.28 0.00 -2.33 0.00 0.00 43.42 41.54 1d4m n LEU 182 CO 0.12 -0.20 0.69 0.35 -1.33 0.00 0.00 177.39 177.02 1d4m n THR 183 N -1.33 1.03 1.36 -5.08 -2.24 -1.26 -2.33 114.28 104.44 1d4m n THR 183 Ca 0.05 0.26 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1d4m n THR 183 Cb 0.10 -1.04 0.72 0.00 -2.10 0.00 0.00 70.33 68.01 1d4m n THR 183 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1d4m n ILE 184 N -1.45 0.07 -3.95 2.28 -6.64 -1.17 -4.74 119.36 103.76 1d4m n ILE 184 Ca 0.04 0.02 -0.25 0.00 -1.77 0.00 0.00 62.75 60.78 1d4m n ILE 184 Cb 0.14 -0.55 -0.03 0.00 -1.44 0.00 0.00 39.64 37.75 1d4m n ILE 184 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1d4m s TYR 185 N -2.54 3.47 -0.05 4.28 2.02 -0.98 -5.03 117.35 118.52 1d4m s TYR 185 Ca 0.28 0.09 -0.37 0.00 -0.37 0.00 0.00 57.07 56.70 1d4m s TYR 185 Cb 0.19 -1.65 -0.15 0.00 -0.40 0.00 0.00 41.96 39.95 1d4m s TYR 185 CO 0.42 0.51 1.62 -2.30 -1.57 0.00 0.00 175.55 174.23 1d4m n PRO 186 N -0.65 1.56 -3.94 -1.71 -0.02 -1.26 -4.81 135.00 124.17 1d4m n PRO 186 Ca -0.07 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 1d4m n PRO 186 Cb 0.54 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1d4m n PRO 186 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1d4m s HIS 187 N 2.25 0.14 0.07 6.00 -3.43 -1.26 -1.94 115.29 117.12 1d4m s HIS 187 Ca 0.89 -0.55 -0.16 0.00 -0.80 0.00 0.00 55.06 54.44 1d4m s HIS 187 Cb -0.88 0.41 0.03 0.00 -1.43 0.00 0.00 32.58 30.71 1d4m s HIS 187 CO 0.52 -1.11 0.38 -1.14 -2.00 0.00 0.00 174.74 171.39 1d4m s GLN 188 N -3.92 0.95 -0.03 -0.38 0.74 -0.43 -4.91 119.66 111.67 1d4m s GLN 188 Ca 0.18 -0.53 0.03 0.00 0.05 0.00 0.00 55.36 55.09 1d4m s GLN 188 Cb -0.03 0.42 -0.03 0.00 1.10 0.00 0.00 33.01 34.47 1d4m s GLN 188 CO 0.08 -0.34 -0.11 -1.58 -0.55 0.00 0.00 175.29 172.80 1d4m s TRP 189 N -2.98 2.79 -0.46 1.67 0.52 -1.26 -0.67 118.94 118.54 1d4m s TRP 189 Ca -0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 56.10 55.95 1d4m s TRP 189 Cb 0.00 -1.63 0.12 0.00 -1.15 0.00 0.00 33.47 30.81 1d4m s TRP 189 CO -0.06 0.27 0.29 0.42 0.02 0.00 0.00 176.95 177.89 1d4m s ILE 190 N -0.83 3.70 -0.40 2.03 1.01 -0.33 -4.92 121.20 121.47 1d4m s ILE 190 Ca 0.13 -2.06 -0.16 0.00 0.00 0.00 0.00 60.65 58.57 1d4m s ILE 190 Cb -0.11 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1d4m s ILE 190 CO 0.03 -0.75 0.35 0.21 0.00 0.00 0.00 174.94 174.78 1d4m s ASN 191 N 2.03 6.15 0.58 3.58 2.47 -1.26 -0.95 114.94 127.53 1d4m s ASN 191 Ca 0.08 -0.71 0.34 0.00 0.42 0.00 0.00 52.86 52.99 1d4m s ASN 191 Cb -0.24 -2.19 1.36 0.00 -1.45 0.00 0.00 41.25 38.74 1d4m s ASN 191 CO -0.03 -0.47 1.63 -0.07 -3.72 0.00 0.00 177.10 174.43 1d4m h LEU 192 N 8.79 0.00 -1.19 3.21 3.38 -1.37 0.26 115.31 128.40 1d4m h LEU 192 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1d4m h LEU 192 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1d4m h LEU 192 CO 0.74 0.00 -0.29 -0.09 0.09 0.00 0.00 178.44 178.90 1d4m h ARG 193 N 0.00 0.00 0.00 1.13 2.43 -1.82 -3.40 114.38 112.72 1d4m h ARG 193 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1d4m h ARG 193 Cb 2.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 1d4m h ARG 193 CO -0.01 0.29 -0.66 0.25 -1.51 0.00 0.00 179.97 178.33 1d4m n THR 194 N -3.56 0.00 -2.85 0.20 -2.24 0.78 -5.07 114.28 101.53 1d4m n THR 194 Ca -0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1d4m n THR 194 Cb 0.43 -0.36 0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1d4m n THR 194 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1d4m s ASN 195 N -3.70 4.82 0.00 3.42 -0.87 -0.34 -4.72 114.94 113.54 1d4m s ASN 195 Ca 0.00 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 1d4m s ASN 195 Cb 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.37 1d4m s ASN 195 CO 0.00 -1.53 0.00 -3.20 -2.57 0.00 0.00 177.10 169.80 1d4m n ASN 196 N -2.47 0.00 -3.68 -1.22 2.85 -0.99 -4.42 115.26 105.34 1d4m n ASN 196 Ca 0.15 -0.59 -0.02 0.00 -0.11 0.00 0.00 54.58 54.00 1d4m n ASN 196 Cb 0.61 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.62 1d4m n ASN 196 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1d4m s SER 197 N 0.00 -0.15 -0.02 1.20 1.04 -1.26 -0.90 113.70 113.60 1d4m s SER 197 Ca 0.00 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1d4m s SER 197 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1d4m s SER 197 CO 0.00 -0.65 0.06 0.00 0.98 0.00 0.00 173.24 173.63 1d4m s ALA 198 N -2.95 -0.12 -0.11 5.32 0.00 -0.17 -4.55 121.76 119.18 1d4m s ALA 198 Ca 0.12 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1d4m s ALA 198 Cb 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1d4m s ALA 198 CO -0.01 -0.04 -0.08 0.99 0.00 0.00 0.00 175.76 176.62 1d4m s THR 199 N 0.22 1.05 -0.08 0.00 2.01 -1.26 -0.72 115.64 116.86 1d4m s THR 199 Ca -0.02 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1d4m s THR 199 Cb -0.02 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1d4m s THR 199 CO -0.01 0.37 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.51 1d4m s ILE 200 N 1.69 1.43 -0.38 1.82 1.01 -0.18 -1.46 121.20 125.13 1d4m s ILE 200 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 1d4m s ILE 200 Cb -0.13 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1d4m s ILE 200 CO -0.08 0.42 0.25 -0.69 0.00 0.00 0.00 174.94 174.84 1d4m s VAL 201 N 0.69 4.98 -0.23 2.92 1.01 0.49 -0.15 120.40 130.12 1d4m s VAL 201 Ca -0.13 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1d4m s VAL 201 Cb -0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1d4m s VAL 201 CO 0.03 -0.20 0.24 -0.04 0.00 0.00 0.00 175.10 175.14 1d4m s MET 202 N 1.64 4.09 0.81 2.72 -1.94 0.90 0.55 119.30 128.06 1d4m s MET 202 Ca 0.04 -0.12 -0.10 0.00 -1.71 0.00 0.00 55.69 53.81 1d4m s MET 202 Cb -0.19 -3.55 0.12 0.00 2.01 0.00 0.00 34.83 33.22 1d4m s MET 202 CO 0.09 -0.00 1.14 -1.25 -0.01 0.00 0.00 175.02 174.98 1d4m s PRO 203 N 1.24 1.58 -0.08 2.03 0.04 -1.26 -0.68 135.00 137.87 1d4m s PRO 203 Ca 0.11 -0.39 -0.30 0.00 0.04 0.00 0.00 61.00 60.47 1d4m s PRO 203 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1d4m s PRO 203 CO 0.06 -1.71 1.23 -0.47 0.04 0.00 0.00 177.00 176.15 1d4m s TYR 204 N -3.49 3.08 -0.15 0.56 5.04 -1.26 -4.81 117.35 116.32 1d4m s TYR 204 Ca 0.66 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 1d4m s TYR 204 Cb -0.08 -3.46 0.03 0.00 0.35 0.00 0.00 41.96 38.80 1d4m s TYR 204 CO 0.48 -1.49 -0.11 0.42 -1.34 0.00 0.00 175.55 173.51 1d4m s ILE 205 N 2.56 1.37 0.11 3.14 1.01 -1.26 -5.07 121.20 123.06 1d4m s ILE 205 Ca 0.56 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 1d4m s ILE 205 Cb -0.24 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 40.93 1d4m s ILE 205 CO 0.20 0.34 0.94 0.21 0.00 0.00 0.00 174.94 176.64 1d4m s ASN 206 N 1.55 -0.23 0.00 3.58 3.04 -1.26 -4.97 114.94 116.65 1d4m s ASN 206 Ca 0.03 -0.29 0.27 0.00 0.04 0.00 0.00 52.86 52.92 1d4m s ASN 206 Cb -0.14 0.46 0.94 0.00 -1.54 0.00 0.00 41.25 40.97 1d4m s ASN 206 CO -0.09 -0.82 1.68 -1.54 -3.04 0.00 0.00 177.10 173.29 1d4m n SER 207 N -0.41 1.47 -4.16 -4.21 3.41 -1.26 -4.85 113.62 103.60 1d4m n SER 207 Ca -0.07 -1.39 -0.16 0.00 -0.26 0.00 0.00 58.87 56.99 1d4m n SER 207 Cb 0.61 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1d4m n SER 207 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1d4m s VAL 208 N -2.11 0.98 0.41 -3.33 -7.23 -1.26 -5.07 120.40 102.79 1d4m s VAL 208 Ca 0.35 -1.46 0.10 0.00 -1.81 0.00 0.00 61.98 59.15 1d4m s VAL 208 Cb 0.21 -1.18 0.30 0.00 0.56 0.00 0.00 36.38 36.27 1d4m s VAL 208 CO 0.37 -0.41 2.00 1.55 -0.31 0.00 0.00 175.10 178.31 1d4m h PRO 209 N 3.92 0.52 -4.09 4.82 0.13 -1.89 -3.45 132.00 131.97 1d4m h PRO 209 Ca -0.38 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 1d4m h PRO 209 Cb 1.19 -0.12 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1d4m h PRO 209 CO 0.47 0.34 -0.39 -1.64 -0.23 0.00 0.00 178.00 176.55 1d4m s MET 210 N -5.49 1.24 0.24 0.86 -1.94 -1.26 -4.96 119.30 108.00 1d4m s MET 210 Ca -0.08 -1.35 -0.19 0.00 -1.71 0.00 0.00 55.69 52.35 1d4m s MET 210 Cb 0.19 0.36 0.03 0.00 2.01 0.00 0.00 34.83 37.41 1d4m s MET 210 CO 0.75 -0.45 0.62 0.34 -0.01 0.00 0.00 175.02 176.27 1d4m s ASP 211 N -3.04 -0.28 0.14 3.03 -1.08 -1.03 -4.95 116.67 109.46 1d4m s ASP 211 Ca 0.25 -0.54 -0.30 0.00 -0.52 0.00 0.00 52.55 51.44 1d4m s ASP 211 Cb 0.04 0.66 -0.07 0.00 -1.46 0.00 0.00 42.92 42.09 1d4m s ASP 211 CO 0.06 -1.20 1.10 0.21 0.52 0.00 0.00 175.17 175.86 1d4m s ASN 212 N -2.90 7.26 0.00 -0.34 3.84 -1.26 -1.01 114.94 120.53 1d4m s ASN 212 Ca 0.11 2.03 0.28 0.00 0.21 0.00 0.00 52.86 55.49 1d4m s ASN 212 Cb -0.03 -2.60 1.06 0.00 -0.55 0.00 0.00 41.25 39.13 1d4m s ASN 212 CO 0.02 -0.25 1.80 0.23 -2.79 0.00 0.00 177.10 176.12 1d4m n MET 213 N 2.72 0.00 -0.10 0.43 2.81 -1.26 -3.32 117.12 118.40 1d4m n MET 213 Ca 0.04 -0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.70 1d4m n MET 213 Cb 0.47 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 1d4m n MET 213 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1d4m n PHE 214 N -1.50 0.47 0.23 2.03 3.72 -1.26 -4.48 117.46 116.67 1d4m n PHE 214 Ca 0.07 0.14 0.11 0.00 -0.05 0.00 0.00 57.45 57.71 1d4m n PHE 214 Cb 0.34 -1.06 0.47 0.00 -0.94 0.00 0.00 39.48 38.30 1d4m n PHE 214 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1d4m h ARG 215 N -0.43 0.00 -4.42 -1.08 2.43 -2.00 -3.44 114.38 105.44 1d4m h ARG 215 Ca -0.54 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.09 1d4m h ARG 215 Cb 1.75 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.94 1d4m h ARG 215 CO -0.16 0.20 -0.81 -1.58 -1.51 0.00 0.00 179.97 176.10 1d4m s HIS 216 N -3.64 1.67 -0.64 2.20 2.46 -1.21 -5.08 115.29 111.05 1d4m s HIS 216 Ca 0.01 -0.83 -0.20 0.00 0.47 0.00 0.00 55.06 54.51 1d4m s HIS 216 Cb 0.10 -1.30 0.09 0.00 -0.13 0.00 0.00 32.58 31.34 1d4m s HIS 216 CO 0.63 -0.50 0.83 0.71 -2.47 0.00 0.00 174.74 173.93 1d4m s TYR 217 N 1.42 2.89 0.28 3.88 1.51 -1.26 -4.51 117.35 121.56 1d4m s TYR 217 Ca 0.01 -0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 55.21 1d4m s TYR 217 Cb -0.13 -4.14 0.50 0.00 -0.11 0.00 0.00 41.96 38.08 1d4m s TYR 217 CO -0.06 -1.44 1.86 -0.91 -1.11 0.00 0.00 175.55 173.89 1d4m h ASN 218 N 9.29 0.98 -5.04 2.29 2.35 -1.61 -3.40 115.58 120.43 1d4m h ASN 218 Ca -0.26 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1d4m h ASN 218 Cb 1.08 -0.17 -0.14 0.00 0.05 0.00 0.00 38.32 39.14 1d4m h ASN 218 CO 1.13 0.56 0.04 0.72 -1.65 0.00 0.00 177.43 178.23 1d4m s PHE 219 N -5.99 -0.36 -0.09 1.19 -0.12 -1.22 -1.39 117.98 110.02 1d4m s PHE 219 Ca -0.12 0.17 0.04 0.00 -0.05 0.00 0.00 56.93 56.97 1d4m s PHE 219 Cb 0.21 0.37 -0.00 0.00 -0.63 0.00 0.00 43.02 42.97 1d4m s PHE 219 CO 0.81 -0.73 -0.23 0.99 -0.05 0.00 0.00 175.22 176.01 1d4m s THR 220 N -3.43 1.96 -0.16 -4.49 2.01 0.17 -0.92 115.64 110.78 1d4m s THR 220 Ca 0.00 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 1d4m s THR 220 Cb 0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1d4m s THR 220 CO -0.10 0.54 0.55 -0.22 -0.69 0.00 0.00 174.62 174.70 1d4m s LEU 221 N 0.24 4.20 -0.06 4.42 2.96 0.03 -0.53 118.68 129.93 1d4m s LEU 221 Ca -0.15 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1d4m s LEU 221 Cb -0.17 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 1d4m s LEU 221 CO 0.07 -0.14 -0.23 -0.04 -1.32 0.00 0.00 176.35 174.69 1d4m s MET 222 N 1.32 2.40 -0.24 1.98 -1.94 -0.17 -1.08 119.30 121.57 1d4m s MET 222 Ca 0.27 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1d4m s MET 222 Cb -0.16 -2.01 0.05 0.00 2.01 0.00 0.00 34.83 34.73 1d4m s MET 222 CO 0.11 0.31 -0.10 0.08 -0.01 0.00 0.00 175.02 175.40 1d4m s VAL 223 N -0.02 1.93 -0.13 -6.03 1.01 -0.26 -1.74 120.40 115.15 1d4m s VAL 223 Ca -0.06 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.55 1d4m s VAL 223 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1d4m s VAL 223 CO 0.04 0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.40 1d4m s ILE 224 N 1.23 1.56 -0.53 2.22 1.01 -0.56 -1.26 121.20 124.87 1d4m s ILE 224 Ca -0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 1d4m s ILE 224 Cb -0.18 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 1d4m s ILE 224 CO -0.06 0.46 1.65 -2.84 0.00 0.00 0.00 174.94 174.14 1d4m s PRO 225 N 1.22 3.07 0.12 2.79 0.02 -1.26 -0.78 135.00 140.18 1d4m s PRO 225 Ca -0.01 0.71 0.09 0.00 0.02 0.00 0.00 61.00 61.80 1d4m s PRO 225 Cb -0.14 -4.23 -0.18 0.00 0.02 0.00 0.00 34.50 29.97 1d4m s PRO 225 CO -0.06 -2.20 1.23 0.74 -0.33 0.00 0.00 177.00 176.38 1d4m h PHE 226 N 12.81 0.00 -3.22 6.54 -1.00 -1.17 -3.42 116.94 127.47 1d4m h PHE 226 Ca -0.28 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.88 1d4m h PHE 226 Cb 1.13 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 40.33 1d4m h PHE 226 CO 1.02 0.94 -0.83 0.08 -1.61 0.00 0.00 178.31 177.91 1d4m s VAL 227 N -2.73 1.68 0.57 -0.55 1.01 -1.00 -4.98 120.40 114.40 1d4m s VAL 227 Ca 0.01 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1d4m s VAL 227 Cb 0.10 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1d4m s VAL 227 CO 0.81 0.37 0.89 0.29 0.00 0.00 0.00 175.10 177.46 1d4m n LYS 228 N 4.71 0.88 -2.22 2.72 5.02 -1.26 -1.45 118.16 126.56 1d4m n LYS 228 Ca -0.17 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1d4m n LYS 228 Cb 0.49 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 1d4m n LYS 228 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1d4m s LEU 229 N -1.33 4.35 0.01 -0.35 0.20 -1.26 -4.18 118.68 116.12 1d4m s LEU 229 Ca 0.73 2.21 -0.08 0.00 0.69 0.00 0.00 54.13 57.68 1d4m s LEU 229 Cb -0.44 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.75 1d4m s LEU 229 CO 0.50 -0.65 0.15 -0.62 -0.29 0.00 0.00 176.35 175.43 1d4m s ASP 230 N 1.38 0.03 0.18 3.68 2.15 -0.72 -4.41 116.67 118.97 1d4m s ASP 230 Ca 0.64 -0.26 -0.24 0.00 0.43 0.00 0.00 52.55 53.12 1d4m s ASP 230 Cb -0.34 0.23 0.05 0.00 -0.30 0.00 0.00 42.92 42.56 1d4m s ASP 230 CO 0.29 -0.42 0.82 -0.72 -0.17 0.00 0.00 175.17 174.97 1d4m s TYR 231 N -1.71 -0.23 0.00 -5.34 -0.85 -1.26 -1.82 117.35 106.14 1d4m s TYR 231 Ca -0.12 -0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 1d4m s TYR 231 Cb -0.06 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.92 1d4m s TYR 231 CO 0.00 -0.93 0.00 0.00 -1.52 0.00 0.00 175.55 173.10 1d4m n ALA 232 N -0.43 0.00 -0.74 9.51 0.00 -1.26 -4.93 120.51 122.66 1d4m n ALA 232 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1d4m n ALA 232 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 1d4m n ALA 232 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1d4m n ASP 233 N 0.00 3.94 -4.88 0.00 3.85 -1.26 -4.88 116.55 113.33 1d4m n ASP 233 Ca 0.00 -2.23 -0.33 0.00 -0.71 0.00 0.00 54.79 51.52 1d4m n ASP 233 Cb 0.00 -1.05 -0.05 0.00 -1.35 0.00 0.00 41.12 38.67 1d4m n ASP 233 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1d4m s THR 234 N 1.59 5.08 0.12 2.12 -1.32 -1.26 -4.99 115.64 116.99 1d4m s THR 234 Ca 0.49 0.36 0.28 0.00 -1.21 0.00 0.00 61.69 61.61 1d4m s THR 234 Cb 0.23 -3.64 0.31 0.00 -1.51 0.00 0.00 72.50 67.89 1d4m s THR 234 CO -0.00 0.17 1.90 0.00 -2.21 0.00 0.00 174.62 174.48 1d4m h ALA 235 N 3.31 1.02 -2.80 11.08 0.00 -2.05 -3.43 119.26 126.39 1d4m h ALA 235 Ca -0.48 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 53.81 1d4m h ALA 235 Cb 1.18 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.98 1d4m h ALA 235 CO 0.68 0.15 0.53 -1.12 0.00 0.00 0.00 179.25 179.49 1d4m s SER 236 N -5.97 7.12 0.00 0.00 0.01 -1.26 -4.98 113.70 108.61 1d4m s SER 236 Ca 0.01 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.64 1d4m s SER 236 Cb 0.10 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1d4m s SER 236 CO 0.59 -0.27 0.00 0.35 0.41 0.00 0.00 173.24 174.32 1d4m n THR 237 N 1.29 0.00 -2.39 1.44 -2.24 -1.26 -5.06 114.28 106.06 1d4m n THR 237 Ca -0.00 0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1d4m n THR 237 Cb 0.44 -1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1d4m n THR 237 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1d4m s TYR 238 N -0.47 3.56 -0.22 4.78 1.13 -1.26 -4.92 117.35 119.96 1d4m s TYR 238 Ca 0.00 1.07 0.02 0.00 -1.41 0.00 0.00 57.07 56.75 1d4m s TYR 238 Cb 0.00 -2.51 0.04 0.00 -1.10 0.00 0.00 41.96 38.39 1d4m s TYR 238 CO 0.00 -0.40 -0.16 0.08 -2.51 0.00 0.00 175.55 172.56 1d4m s VAL 239 N -2.82 2.13 0.55 -3.49 1.01 -0.79 -4.94 120.40 112.05 1d4m s VAL 239 Ca 0.52 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1d4m s VAL 239 Cb -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1d4m s VAL 239 CO 0.45 0.29 1.16 -2.84 0.00 0.00 0.00 175.10 174.16 1d4m s PRO 240 N 1.21 3.25 -0.11 2.72 0.02 -1.26 -0.71 135.00 140.12 1d4m s PRO 240 Ca -0.01 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.72 1d4m s PRO 240 Cb -0.16 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.37 1d4m s PRO 240 CO -0.09 -0.95 -0.16 0.42 -0.33 0.00 0.00 177.00 175.89 1d4m s ILE 241 N -1.70 1.54 -0.03 2.83 1.01 -0.05 -4.50 121.20 120.30 1d4m s ILE 241 Ca 0.74 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1d4m s ILE 241 Cb -0.26 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1d4m s ILE 241 CO 0.29 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.58 1d4m s THR 242 N 0.98 1.71 -0.19 2.92 2.01 -0.61 -1.70 115.64 120.76 1d4m s THR 242 Ca -0.06 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1d4m s THR 242 Cb -0.15 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1d4m s THR 242 CO -0.02 0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.63 1d4m s VAL 243 N -0.26 3.24 -0.11 3.82 1.01 -1.26 -0.21 120.40 126.63 1d4m s VAL 243 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1d4m s VAL 243 Cb -0.11 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1d4m s VAL 243 CO 0.01 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 1d4m s THR 244 N 1.07 1.84 0.01 3.92 2.01 -0.56 -1.53 115.64 122.41 1d4m s THR 244 Ca 0.01 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1d4m s THR 244 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1d4m s THR 244 CO -0.01 0.51 -0.07 0.54 -0.69 0.00 0.00 174.62 174.90 1d4m s VAL 245 N 0.63 0.51 -0.13 3.82 0.11 0.21 -0.58 120.40 124.97 1d4m s VAL 245 Ca -0.13 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1d4m s VAL 245 Cb -0.16 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1d4m s VAL 245 CO 0.03 -0.04 -0.16 0.00 -3.33 0.00 0.00 175.10 171.61 1d4m s ALA 246 N -0.56 1.83 0.62 1.54 0.00 -0.35 -0.73 121.76 124.10 1d4m s ALA 246 Ca -0.02 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1d4m s ALA 246 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1d4m s ALA 246 CO 0.00 -0.20 1.17 -2.14 0.00 0.00 0.00 175.76 174.59 1d4m s PRO 247 N 1.17 2.89 -0.04 0.00 0.02 -1.25 -0.68 135.00 137.11 1d4m s PRO 247 Ca -0.02 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.69 1d4m s PRO 247 Cb -0.14 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1d4m s PRO 247 CO -0.05 -1.24 -0.02 -1.64 -0.33 0.00 0.00 177.00 173.72 1d4m s MET 248 N -3.57 0.57 -1.24 5.54 -1.94 0.16 -4.10 119.30 114.73 1d4m s MET 248 Ca 0.74 -0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.65 1d4m s MET 248 Cb -0.27 -0.66 0.01 0.00 2.01 0.00 0.00 34.83 35.92 1d4m s MET 248 CO 0.35 -0.10 1.06 0.00 -0.01 0.00 0.00 175.02 176.32 1d4m s ALA 250 N -3.32 3.34 -0.01 0.00 0.00 -1.26 -4.48 121.76 116.04 1d4m s ALA 250 Ca 0.33 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1d4m s ALA 250 Cb -0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1d4m s ALA 250 CO 0.70 -0.38 0.05 -1.83 0.00 0.00 0.00 175.76 174.30 1d4m s GLU 251 N 0.98 0.24 0.07 0.00 -1.05 -0.76 -4.37 118.70 113.81 1d4m s GLU 251 Ca 0.57 -0.23 0.04 0.00 -0.15 0.00 0.00 54.97 55.20 1d4m s GLU 251 Cb -0.28 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.48 1d4m s GLU 251 CO 0.29 -0.04 -0.13 0.71 0.95 0.00 0.00 175.26 177.04 1d4m s TYR 252 N -0.73 1.10 0.12 4.83 2.02 -0.90 -1.57 117.35 122.22 1d4m s TYR 252 Ca -0.08 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 1d4m s TYR 252 Cb -0.05 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1d4m s TYR 252 CO 0.00 0.03 -0.05 -0.80 -1.57 0.00 0.00 175.55 173.16 1d4m s ASN 253 N -1.71 1.24 -0.53 2.29 -0.87 -0.44 -2.07 114.94 112.84 1d4m s ASN 253 Ca -0.04 -1.05 -0.02 0.00 -1.57 0.00 0.00 52.86 50.18 1d4m s ASN 253 Cb -0.10 0.09 -0.03 0.00 -0.02 0.00 0.00 41.25 41.19 1d4m s ASN 253 CO 0.02 -0.48 0.48 0.61 -2.57 0.00 0.00 177.10 175.16 1d4m n GLY 254 N -0.12 -0.48 3.77 0.66 0.00 -1.26 -1.67 105.19 106.10 1d4m n GLY 254 Ca -0.10 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1d4m n GLY 254 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d4m s LEU 255 N -3.91 4.24 0.00 0.99 2.96 -1.26 -1.58 118.68 120.11 1d4m s LEU 255 Ca 0.17 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1d4m s LEU 255 Cb -0.02 -4.01 0.00 0.00 0.50 0.00 0.00 46.19 42.66 1d4m s LEU 255 CO 0.42 -0.52 0.00 -2.11 -1.32 0.00 0.00 176.35 172.83 1d4m n ARG 256 N 0.23 0.00 -2.02 1.98 1.85 -0.65 -4.96 116.66 113.09 1d4m n ARG 256 Ca 0.04 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.53 1d4m n ARG 256 Cb 0.47 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.91 1d4m n ARG 256 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1d4m s LEU 257 N 0.00 3.66 0.37 2.89 2.34 -1.26 -4.72 118.68 121.96 1d4m s LEU 257 Ca 0.00 2.37 -0.27 0.00 0.06 0.00 0.00 54.13 56.29 1d4m s LEU 257 Cb 0.00 -4.60 -0.10 0.00 -0.56 0.00 0.00 46.19 40.94 1d4m s LEU 257 CO 0.00 -1.58 1.32 0.00 -1.06 0.00 0.00 176.35 175.03 1d4m s ALA 258 N -1.62 3.38 -0.18 1.48 0.00 -1.26 -4.70 121.76 118.87 1d4m s ALA 258 Ca 0.77 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.72 1d4m s ALA 258 Cb -0.30 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 1d4m s ALA 258 CO 0.33 -0.78 1.13 -1.14 0.00 0.00 0.00 175.76 175.30 1d4m s GLN 259 N -2.05 4.27 0.28 0.00 0.74 -0.38 -4.92 119.66 117.60 1d4m s GLN 259 Ca 0.53 1.50 0.10 0.00 0.05 0.00 0.00 55.36 57.54 1d4m s GLN 259 Cb -0.40 -3.67 0.88 0.00 1.10 0.00 0.00 33.01 30.92 1d4m s GLN 259 CO 0.52 -0.61 1.29 0.00 -0.55 0.00 0.00 175.29 175.94 1d4m n ALA 260 N 6.21 0.64 0.35 1.58 0.00 -1.26 -4.93 120.51 123.11 1d4m n ALA 260 Ca 0.12 0.86 0.04 0.00 0.00 0.00 0.00 53.44 54.46 1d4m n ALA 260 Cb 0.46 -0.75 0.04 0.00 0.00 0.00 0.00 19.45 19.20 1d4m n ALA 260 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54