#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 s SER 2 N 0.00 6.23 0.01 1.61 1.04 -1.26 -5.08 113.70 116.26 1wk1 s SER 2 Ca 0.00 1.70 0.01 0.00 0.48 0.00 0.00 55.95 58.14 1wk1 s SER 2 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1wk1 s SER 2 CO 0.00 -0.86 -0.03 -0.55 0.98 0.00 0.00 173.24 172.78 1wk1 s SER 3 N -2.87 0.30 -0.30 7.02 0.15 -1.26 -5.14 113.70 111.60 1wk1 s SER 3 Ca 0.62 -0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.94 1wk1 s SER 3 Cb -0.13 0.03 0.16 0.00 -1.71 0.00 0.00 66.02 64.37 1wk1 s SER 3 CO 0.33 -0.12 0.65 -0.83 1.20 0.00 0.00 173.24 174.47 1wk1 s GLY 4 N -0.74 -0.83 0.02 9.45 0.00 -1.26 -5.16 107.32 108.80 1wk1 s GLY 4 Ca -0.07 2.15 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1wk1 s GLY 4 CO -0.00 3.24 -0.03 -0.56 0.00 0.00 0.00 173.10 175.74 1wk1 s SER 5 N 2.87 0.32 -0.27 1.64 0.01 -1.26 -4.90 113.70 112.10 1wk1 s SER 5 Ca 0.07 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1wk1 s SER 5 Cb -0.13 0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.24 1wk1 s SER 5 CO -0.20 -0.22 0.69 -0.55 0.41 0.00 0.00 173.24 173.37 1wk1 s SER 6 N -1.19 -0.86 0.00 2.44 0.15 -1.25 -4.95 113.70 108.04 1wk1 s SER 6 Ca -0.12 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1wk1 s SER 6 Cb -0.08 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1wk1 s SER 6 CO -0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wk1 n GLY 7 N 3.73 0.03 3.51 9.45 0.00 -1.26 -3.69 105.19 116.95 1wk1 n GLY 7 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wk1 s VAL 8 N 0.00 4.74 0.79 1.61 1.01 -1.26 -5.01 120.40 122.27 1wk1 s VAL 8 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1wk1 s VAL 8 Cb 0.00 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.21 1wk1 s VAL 8 CO 0.00 0.30 1.16 -0.54 0.00 0.00 0.00 175.10 176.02 1wk1 s LYS 9 N 1.68 1.87 0.23 2.72 1.02 -1.26 -5.04 119.74 120.96 1wk1 s LYS 9 Ca 0.07 1.57 0.08 0.00 0.02 0.00 0.00 55.97 57.71 1wk1 s LYS 9 Cb -0.15 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1wk1 s LYS 9 CO 0.07 -2.00 0.03 -0.06 -0.92 0.00 0.00 175.35 172.47 1wk1 s PHE 10 N -2.36 2.82 -1.21 3.18 0.08 -1.26 -4.44 117.98 114.79 1wk1 s PHE 10 Ca 0.69 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.44 1wk1 s PHE 10 Cb -0.25 -1.29 0.12 0.00 -0.57 0.00 0.00 43.02 41.03 1wk1 s PHE 10 CO 0.50 0.57 0.43 1.28 -0.10 0.00 0.00 175.22 177.90 1wk1 n LEU 11 N -0.70 -0.94 -3.88 -0.37 4.77 -1.01 -4.91 117.00 109.95 1wk1 n LEU 11 Ca -0.08 -0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 55.23 1wk1 n LEU 11 Cb 0.58 -1.68 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 1wk1 n LEU 11 CO 0.40 0.11 -0.39 0.42 -1.33 0.00 0.00 177.39 176.60 1wk1 s THR 12 N -2.84 0.29 -0.30 -5.08 -4.23 -1.26 -5.07 115.64 97.15 1wk1 s THR 12 Ca 0.47 -0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.64 1wk1 s THR 12 Cb -0.27 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1wk1 s THR 12 CO 0.58 0.13 1.54 -0.69 -0.54 0.00 0.00 174.62 175.65 1wk1 s VAL 13 N 0.51 3.78 -0.37 2.29 1.01 -1.26 -4.52 120.40 121.84 1wk1 s VAL 13 Ca -0.05 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 1wk1 s VAL 13 Cb -0.09 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1wk1 s VAL 13 CO -0.01 -0.46 0.75 0.20 0.00 0.00 0.00 175.10 175.58 1wk1 s ASN 14 N 4.26 6.50 0.23 3.32 0.01 -1.08 -4.95 114.94 123.24 1wk1 s ASN 14 Ca 0.68 0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 52.92 1wk1 s ASN 14 Cb -0.20 -2.38 0.28 0.00 0.41 0.00 0.00 41.25 39.36 1wk1 s ASN 14 CO 0.30 -0.72 1.50 0.47 -1.51 0.00 0.00 177.10 177.13 1wk1 n ASP 15 N 6.37 -0.57 -3.47 -1.22 9.92 -1.26 -4.17 116.55 122.16 1wk1 n ASP 15 Ca 0.02 1.68 -0.36 0.00 -0.53 0.00 0.00 54.79 55.60 1wk1 n ASP 15 Cb 0.48 -0.41 -0.11 0.00 -0.64 0.00 0.00 41.12 40.44 1wk1 n ASP 15 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wk1 n ASP 16 N -5.45 0.32 -4.72 -2.24 9.92 -1.26 -4.56 116.55 108.56 1wk1 n ASP 16 Ca 0.11 0.25 -0.41 0.00 -0.53 0.00 0.00 54.79 54.20 1wk1 n ASP 16 Cb 0.41 -0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 40.13 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1wk1 s ILE 17 N 6.40 4.65 -0.06 0.53 -4.36 -1.26 -4.50 121.20 122.59 1wk1 s ILE 17 Ca 1.03 2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 63.30 1wk1 s ILE 17 Cb -1.04 -4.32 0.04 0.00 1.25 0.00 0.00 42.46 38.39 1wk1 s ILE 17 CO 0.42 0.25 0.42 -0.76 0.24 0.00 0.00 174.94 175.51 1wk1 s LEU 18 N 0.41 0.42 1.24 0.37 1.43 0.08 -4.64 118.68 118.00 1wk1 s LEU 18 Ca 0.49 0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 1wk1 s LEU 18 Cb -0.22 1.58 0.31 0.00 0.03 0.00 0.00 46.19 47.88 1wk1 s LEU 18 CO 0.29 -0.40 1.00 -0.94 0.23 0.00 0.00 176.35 176.53 1wk1 s SER 19 N -0.88 0.38 0.09 2.29 1.04 -1.26 -2.84 113.70 112.52 1wk1 s SER 19 Ca -0.09 1.23 -0.25 0.00 0.48 0.00 0.00 55.95 57.32 1wk1 s SER 19 Cb -0.04 -1.87 -0.14 0.00 0.10 0.00 0.00 66.02 64.08 1wk1 s SER 19 CO 0.04 -4.53 1.71 -0.03 0.98 0.00 0.00 173.24 171.41 1wk1 h MET 20 N -2.85 -0.19 0.00 4.02 4.05 -1.79 0.32 114.93 118.49 1wk1 h MET 20 Ca -0.56 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1wk1 h MET 20 Cb 1.34 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 1wk1 h MET 20 CO 0.44 -0.13 0.00 -0.35 0.23 0.00 0.00 176.91 177.10 1wk1 n PRO 21 N -5.20 0.19 -0.10 0.39 -0.04 -1.26 -2.43 135.00 126.55 1wk1 n PRO 21 Ca -0.08 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1wk1 n PRO 21 Cb 0.12 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1wk1 n PRO 21 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wk1 n GLN 22 N -1.31 0.88 0.05 0.54 6.02 -0.68 -4.25 117.38 118.64 1wk1 n GLN 22 Ca 0.07 0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 57.09 1wk1 n GLN 22 Cb 0.12 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 h ALA 23 N 0.42 -0.36 -1.30 -1.58 0.00 -0.18 -2.75 119.26 113.51 1wk1 h ALA 23 Ca -0.48 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 54.78 1wk1 h ALA 23 Cb 1.90 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.67 1wk1 h ALA 23 CO -0.03 -0.35 0.89 0.07 0.00 0.00 0.00 179.25 179.84 1wk1 h ARG 24 N -0.39 0.11 -0.31 0.00 0.11 -1.72 0.55 114.38 112.73 1wk1 h ARG 24 Ca -0.02 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 1wk1 h ARG 24 Cb 0.12 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1wk1 h ARG 24 CO 0.03 0.07 -0.20 -0.97 0.10 0.00 0.00 179.97 179.00 1wk1 h ASN 25 N 0.11 0.71 0.56 0.08 -1.24 -1.74 -2.67 115.58 111.40 1wk1 h ASN 25 Ca 0.68 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 1wk1 h ASN 25 Cb 2.37 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 41.23 1wk1 h ASN 25 CO -0.16 0.99 -0.27 0.15 -1.29 0.00 0.00 177.43 176.84 1wk1 h PHE 26 N 0.43 -0.70 -1.06 0.67 3.57 0.38 -1.69 116.94 118.54 1wk1 h PHE 26 Ca 0.06 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.88 1wk1 h PHE 26 Cb 0.75 0.23 -0.14 0.00 2.79 0.00 0.00 35.95 39.58 1wk1 h PHE 26 CO 0.06 -0.44 0.63 0.00 -2.23 0.00 0.00 178.31 176.34 1wk1 h ALA 28 N 1.78 -0.31 -0.68 0.00 0.00 -0.71 1.44 119.26 120.77 1wk1 h ALA 28 Ca 0.73 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.49 1wk1 h ALA 28 Cb 1.81 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1wk1 h ALA 28 CO -0.53 -0.53 0.45 1.03 0.00 0.00 0.00 179.25 179.67 1wk1 h SER 29 N -0.60 0.76 -0.14 0.00 0.87 0.12 -2.15 113.55 112.40 1wk1 h SER 29 Ca -0.03 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 1wk1 h SER 29 Cb 0.43 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1wk1 h SER 29 CO 0.05 0.54 -0.55 0.00 -0.53 0.00 0.00 176.83 176.34 1wk1 h ALA 30 N 1.58 0.57 0.00 6.23 0.00 -0.62 -3.47 119.26 123.56 1wk1 h ALA 30 Ca 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wk1 h ALA 30 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wk1 h ALA 30 CO -0.06 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1wk1 n GLY 31 N 0.32 0.53 3.81 0.00 0.00 0.07 -4.79 105.19 105.12 1wk1 n GLY 31 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1wk1 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wk1 s GLY 32 N -0.31 -0.14 0.03 -0.02 0.00 0.47 -4.74 107.32 102.60 1wk1 s GLY 32 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1wk1 s GLY 32 CO 0.00 1.86 -0.06 -2.52 0.00 0.00 0.00 173.10 172.37 1wk1 s TYR 33 N -2.46 0.55 0.29 1.90 -0.85 0.25 -1.04 117.35 115.98 1wk1 s TYR 33 Ca 0.19 -0.38 -0.21 0.00 -0.52 0.00 0.00 57.07 56.14 1wk1 s TYR 33 Cb -0.00 -0.34 -0.14 0.00 0.38 0.00 0.00 41.96 41.86 1wk1 s TYR 33 CO 0.01 -0.07 0.24 1.28 -1.52 0.00 0.00 175.55 175.48 1wk1 n LEU 34 N 1.90 -1.97 -4.65 -3.49 4.77 -1.26 0.71 117.00 113.00 1wk1 n LEU 34 Ca -0.20 0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 56.20 1wk1 n LEU 34 Cb 0.56 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1wk1 n LEU 34 CO 0.22 -3.31 0.76 0.00 -1.33 0.00 0.00 177.39 173.73 1wk1 s ALA 35 N -1.25 3.64 1.02 -1.18 0.00 0.14 -4.51 121.76 119.62 1wk1 s ALA 35 Ca 0.55 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 1wk1 s ALA 35 Cb -0.68 -3.41 0.20 0.00 0.00 0.00 0.00 23.12 19.24 1wk1 s ALA 35 CO 0.54 -1.03 1.08 0.16 0.00 0.00 0.00 175.76 176.50 1wk1 s ASP 36 N 1.34 2.22 -0.42 0.00 -4.77 -1.26 -3.28 116.67 110.50 1wk1 s ASP 36 Ca 0.39 1.66 0.11 0.00 -3.30 0.00 0.00 52.55 51.40 1wk1 s ASP 36 Cb -0.15 -2.31 0.39 0.00 -1.09 0.00 0.00 42.92 39.77 1wk1 s ASP 36 CO 0.08 -3.45 0.92 -0.67 0.70 0.00 0.00 175.17 172.75 1wk1 n ASP 37 N -4.43 2.62 -4.00 2.11 -0.08 -1.26 -4.87 116.55 106.65 1wk1 n ASP 37 Ca 0.06 -3.23 -0.31 0.00 -1.51 0.00 0.00 54.79 49.81 1wk1 n ASP 37 Cb 0.54 -0.55 -0.15 0.00 2.34 0.00 0.00 41.12 43.30 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1wk1 s LEU 38 N -3.09 2.94 0.00 -2.67 0.05 -1.26 -4.77 118.68 109.88 1wk1 s LEU 38 Ca 0.40 -1.27 0.00 0.00 0.05 0.00 0.00 54.13 53.31 1wk1 s LEU 38 Cb 0.38 -1.34 0.00 0.00 -2.05 0.00 0.00 46.19 43.18 1wk1 s LEU 38 CO -0.08 -0.21 0.00 0.61 -0.55 0.00 0.00 176.35 176.11 1wk1 n GLY 39 N 4.57 3.30 0.34 -3.48 0.00 -1.26 -4.69 105.19 103.97 1wk1 n GLY 39 Ca -0.13 -0.30 0.29 0.00 0.00 0.00 0.00 46.02 45.88 1wk1 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk1 n ASP 40 N 0.00 0.18 0.04 1.61 8.00 -1.26 0.19 116.55 125.32 1wk1 n ASP 40 Ca 0.00 1.10 -0.22 0.00 0.71 0.00 0.00 54.79 56.38 1wk1 n ASP 40 Cb 0.00 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 1wk1 n ASP 40 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wk1 h ASP 41 N 0.00 0.50 -0.71 -2.24 3.58 -1.98 -2.93 116.42 112.64 1wk1 h ASP 41 Ca 0.67 -0.90 0.11 0.00 0.42 0.00 0.00 57.03 57.33 1wk1 h ASP 41 Cb 2.07 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 42.88 1wk1 h ASP 41 CO -0.40 1.63 0.31 0.50 -2.88 0.00 0.00 179.24 178.40 1wk1 h LYS 42 N -0.17 0.48 0.04 0.28 1.63 0.19 0.70 116.57 119.71 1wk1 h LYS 42 Ca -0.28 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1wk1 h LYS 42 Cb 1.86 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1wk1 h LYS 42 CO 0.12 0.32 -0.02 -0.97 -3.45 0.00 0.00 179.45 175.46 1wk1 h ASN 43 N 0.50 -0.04 -0.95 4.20 -1.24 -1.13 -2.98 115.58 113.94 1wk1 h ASN 43 Ca 0.37 -0.54 0.21 0.00 0.71 0.00 0.00 56.30 57.04 1wk1 h ASN 43 Cb 0.47 0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.45 1wk1 h ASN 43 CO -0.33 0.54 0.61 0.78 -1.29 0.00 0.00 177.43 177.74 1wk1 h ASN 44 N -0.64 0.52 -0.38 1.15 2.35 -1.27 0.24 115.58 117.55 1wk1 h ASN 44 Ca -0.00 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1wk1 h ASN 44 Cb 0.58 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1wk1 h ASN 44 CO 0.01 0.19 -0.16 0.15 -1.65 0.00 0.00 177.43 175.97 1wk1 h PHE 45 N 0.51 0.96 0.15 1.19 3.57 -0.86 -3.25 116.94 119.21 1wk1 h PHE 45 Ca 0.51 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1wk1 h PHE 45 Cb 1.13 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1wk1 h PHE 45 CO -0.00 0.95 -0.07 1.88 -2.23 0.00 0.00 178.31 178.84 1wk1 h TYR 46 N 0.76 -0.19 -1.26 0.41 0.05 -0.58 -3.25 116.97 112.92 1wk1 h TYR 46 Ca 0.11 -0.00 0.39 0.00 0.05 0.00 0.00 58.73 59.28 1wk1 h TYR 46 Cb 0.69 0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.41 1wk1 h TYR 46 CO 0.04 0.22 0.86 0.45 -1.05 0.00 0.00 178.16 178.68 1wk1 n SER 47 N -4.89 0.08 0.25 3.88 2.88 0.54 0.72 113.62 117.08 1wk1 n SER 47 Ca -0.07 0.89 -0.11 0.00 -1.33 0.00 0.00 58.87 58.25 1wk1 n SER 47 Cb 0.24 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.21 1wk1 n SER 47 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wk1 h SER 48 N 0.00 -0.59 0.64 -3.46 0.02 -1.59 -3.17 113.55 105.40 1wk1 h SER 48 Ca 0.68 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1wk1 h SER 48 Cb 2.48 0.15 0.00 0.00 0.14 0.00 0.00 62.40 65.17 1wk1 h SER 48 CO -0.18 -0.18 0.00 2.30 -1.14 0.00 0.00 176.83 177.63 1wk1 n ILE 49 N -5.24 0.82 -0.25 3.27 -5.35 0.22 -2.48 119.36 110.36 1wk1 n ILE 49 Ca -0.09 0.19 0.01 0.00 -0.27 0.00 0.00 62.75 62.59 1wk1 n ILE 49 Cb 0.28 -0.95 0.23 0.00 -1.74 0.00 0.00 39.64 37.47 1wk1 n ILE 49 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wk1 n ALA 50 N -1.56 3.59 -1.46 -1.28 0.00 0.22 -4.85 120.51 115.18 1wk1 n ALA 50 Ca 0.04 -1.34 -0.49 0.00 0.00 0.00 0.00 53.44 51.66 1wk1 n ALA 50 Cb 0.21 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1wk1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wk1 n ALA 51 N 0.23 0.98 -2.53 0.00 0.00 -1.04 -0.84 120.51 117.32 1wk1 n ALA 51 Ca 0.21 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1wk1 n ALA 51 Cb 0.93 -2.58 -0.00 0.00 0.00 0.00 0.00 19.45 17.79 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wk1 n ASN 52 N 10.47 -2.89 -4.23 0.00 0.23 -1.19 -4.91 115.26 112.74 1wk1 n ASN 52 Ca 0.43 0.26 -0.31 0.00 -0.53 0.00 0.00 54.58 54.43 1wk1 n ASN 52 Cb 0.24 -2.50 -0.17 0.00 -2.08 0.00 0.00 39.78 35.27 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wk1 s THR 53 N -2.43 1.94 -0.23 5.53 2.01 -0.02 -4.56 115.64 117.89 1wk1 s THR 53 Ca 0.03 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1wk1 s THR 53 Cb -0.01 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 1wk1 s THR 53 CO 0.03 0.54 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.37 1wk1 s GLN 54 N 0.04 3.28 0.07 4.92 -0.21 -1.26 -1.97 119.66 124.53 1wk1 s GLN 54 Ca -0.09 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.62 1wk1 s GLN 54 Cb -0.15 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1wk1 s GLN 54 CO 0.05 -0.25 -0.07 -0.59 -2.12 0.00 0.00 175.29 172.32 1wk1 s PHE 55 N 1.46 0.74 0.95 0.91 -0.71 -1.09 -3.90 117.98 116.33 1wk1 s PHE 55 Ca 0.05 -0.74 -0.12 0.00 -1.04 0.00 0.00 56.93 55.08 1wk1 s PHE 55 Cb -0.15 -0.44 0.16 0.00 -1.21 0.00 0.00 43.02 41.38 1wk1 s PHE 55 CO -0.03 -0.15 1.09 -1.58 -1.34 0.00 0.00 175.22 173.21 1wk1 s TRP 56 N -2.64 2.12 0.33 3.49 0.52 0.12 -0.22 118.94 122.66 1wk1 s TRP 56 Ca 0.01 1.23 0.07 0.00 0.02 0.00 0.00 56.10 57.43 1wk1 s TRP 56 Cb -0.01 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.09 1wk1 s TRP 56 CO -0.03 -2.69 0.29 0.96 0.02 0.00 0.00 176.95 175.50 1wk1 s ILE 57 N -2.87 0.00 -1.33 2.03 -4.36 -1.21 -4.37 121.20 109.09 1wk1 s ILE 57 Ca 0.65 -1.97 0.15 0.00 -0.26 0.00 0.00 60.65 59.21 1wk1 s ILE 57 Cb -0.19 -2.51 0.22 0.00 1.25 0.00 0.00 42.46 41.23 1wk1 s ILE 57 CO 0.58 0.00 1.42 0.61 0.24 0.00 0.00 174.94 177.79 1wk1 n GLY 58 N -0.62 -0.83 3.68 6.27 0.00 -1.20 -4.68 105.19 107.81 1wk1 n GLY 58 Ca 0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wk1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wk1 s LEU 59 N -2.67 4.21 -0.19 0.99 2.96 -1.26 0.07 118.68 122.78 1wk1 s LEU 59 Ca 0.12 1.33 -0.20 0.00 -0.22 0.00 0.00 54.13 55.17 1wk1 s LEU 59 Cb 0.10 -3.37 0.05 0.00 0.50 0.00 0.00 46.19 43.47 1wk1 s LEU 59 CO 0.23 -0.41 0.56 0.72 -1.32 0.00 0.00 176.35 176.13 1wk1 s PHE 60 N 2.05 -0.60 0.29 5.38 -0.12 -1.08 -3.03 117.98 120.87 1wk1 s PHE 60 Ca 0.43 1.44 -0.28 0.00 -0.05 0.00 0.00 56.93 58.47 1wk1 s PHE 60 Cb -0.17 0.22 -0.09 0.00 -0.63 0.00 0.00 43.02 42.34 1wk1 s PHE 60 CO 0.15 -0.32 0.97 0.21 -0.05 0.00 0.00 175.22 176.19 1wk1 s LYS 61 N 0.16 4.67 0.41 1.99 2.20 -0.70 -1.22 119.74 127.25 1wk1 s LYS 61 Ca -0.01 1.48 0.08 0.00 -0.36 0.00 0.00 55.97 57.16 1wk1 s LYS 61 Cb -0.04 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1wk1 s LYS 61 CO 0.01 0.33 0.36 1.21 -0.36 0.00 0.00 175.35 176.91 1wk1 s ASN 62 N -1.33 5.02 0.23 1.43 2.47 0.10 -4.82 114.94 118.05 1wk1 s ASN 62 Ca 0.46 -0.76 -0.07 0.00 0.42 0.00 0.00 52.86 52.92 1wk1 s ASN 62 Cb -0.24 -0.58 0.39 0.00 -1.45 0.00 0.00 41.25 39.37 1wk1 s ASN 62 CO 0.30 -0.64 1.71 0.77 -3.72 0.00 0.00 177.10 175.52 1wk1 h SER 63 N 1.06 0.08 -0.41 -4.21 4.64 -1.98 0.36 113.55 113.09 1wk1 h SER 63 Ca -0.42 0.12 0.12 0.00 -0.47 0.00 0.00 61.79 61.15 1wk1 h SER 63 Cb 1.27 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.49 1wk1 h SER 63 CO 0.58 0.02 0.43 0.44 -0.87 0.00 0.00 176.83 177.43 1wk1 h ASP 64 N 0.31 0.00 0.00 4.97 3.32 -2.03 -3.44 116.42 119.55 1wk1 h ASP 64 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1wk1 h ASP 64 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1wk1 h ASP 64 CO -0.44 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.69 1wk1 n GLY 65 N -1.49 0.91 3.86 2.75 0.00 0.12 -5.10 105.19 106.23 1wk1 n GLY 65 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1wk1 n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wk1 s GLN 66 N -0.78 2.93 -0.19 1.61 -0.21 -1.25 -4.79 119.66 116.98 1wk1 s GLN 66 Ca 0.00 -1.09 -0.12 0.00 0.02 0.00 0.00 55.36 54.17 1wk1 s GLN 66 Cb 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 1wk1 s GLN 66 CO 0.00 0.31 0.22 -0.06 -2.12 0.00 0.00 175.29 173.64 1wk1 s PHE 67 N -2.17 3.42 0.53 0.91 0.08 -1.26 0.01 117.98 119.50 1wk1 s PHE 67 Ca 0.36 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.88 1wk1 s PHE 67 Cb -0.08 -2.27 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 1wk1 s PHE 67 CO 0.26 0.23 0.08 0.71 -0.10 0.00 0.00 175.22 176.40 1wk1 s TYR 68 N 0.53 1.71 -0.18 0.36 1.51 -0.36 -1.07 117.35 119.86 1wk1 s TYR 68 Ca 0.12 -0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1wk1 s TYR 68 Cb -0.12 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1wk1 s TYR 68 CO 0.02 0.06 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.81 1wk1 s TRP 69 N -2.88 2.85 -0.20 2.71 0.52 0.27 -2.64 118.94 119.56 1wk1 s TRP 69 Ca 0.07 -1.07 -0.29 0.00 0.02 0.00 0.00 56.10 54.83 1wk1 s TRP 69 Cb -0.00 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1wk1 s TRP 69 CO 0.04 -0.53 1.61 0.34 0.02 0.00 0.00 176.95 178.44 1wk1 s ASP 70 N 1.07 6.42 -0.20 2.95 -1.08 0.11 -2.88 116.67 123.06 1wk1 s ASP 70 Ca -0.00 1.69 0.12 0.00 -0.52 0.00 0.00 52.55 53.83 1wk1 s ASP 70 Cb -0.15 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.21 1wk1 s ASP 70 CO -0.03 -1.21 1.21 0.54 0.52 0.00 0.00 175.17 176.20 1wk1 n ARG 71 N 7.57 1.67 0.00 4.34 5.12 -1.26 -4.37 116.66 129.73 1wk1 n ARG 71 Ca 0.18 -3.30 0.00 0.00 -1.93 0.00 0.00 57.85 52.80 1wk1 n ARG 71 Cb 0.45 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1wk1 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wk1 n GLY 72 N -0.97 0.60 0.09 -0.13 0.00 -1.26 -4.51 105.19 99.00 1wk1 n GLY 72 Ca 0.20 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1wk1 n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wk1 n GLN 73 N 0.00 0.51 -0.14 1.61 7.27 -1.26 -4.57 117.38 120.80 1wk1 n GLN 73 Ca 0.00 0.29 0.11 0.00 0.07 0.00 0.00 57.00 57.46 1wk1 n GLN 73 Cb 0.00 -1.49 0.29 0.00 2.41 0.00 0.00 30.24 31.44 1wk1 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wk1 n GLY 74 N 1.49 0.99 3.78 1.69 0.00 -1.26 -4.93 105.19 106.95 1wk1 n GLY 74 Ca -0.13 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1wk1 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wk1 s ILE 75 N -1.63 4.24 -0.05 -0.61 -1.09 -1.26 -5.00 121.20 115.80 1wk1 s ILE 75 Ca 0.35 1.80 -0.30 0.00 -2.23 0.00 0.00 60.65 60.27 1wk1 s ILE 75 Cb 0.20 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1wk1 s ILE 75 CO 0.28 0.25 1.57 0.20 -1.23 0.00 0.00 174.94 176.00 1wk1 s ASN 76 N -1.50 6.73 0.42 3.58 0.01 -1.26 -4.75 114.94 118.16 1wk1 s ASN 76 Ca 0.46 2.16 -0.25 0.00 -0.71 0.00 0.00 52.86 54.53 1wk1 s ASN 76 Cb -0.20 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.84 1wk1 s ASN 76 CO 0.25 -0.87 1.18 -2.16 -1.51 0.00 0.00 177.10 173.99 1wk1 s PRO 77 N 3.62 3.97 -0.01 -0.60 0.04 -1.26 -4.79 135.00 135.97 1wk1 s PRO 77 Ca 0.70 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.45 1wk1 s PRO 77 Cb -0.32 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1wk1 s PRO 77 CO 0.27 -0.40 0.39 0.34 0.04 0.00 0.00 177.00 177.64 1wk1 s ASP 78 N -1.15 6.77 -0.28 6.66 -1.08 -1.14 -4.81 116.67 121.64 1wk1 s ASP 78 Ca 0.59 0.91 -0.24 0.00 -0.52 0.00 0.00 52.55 53.29 1wk1 s ASP 78 Cb -0.31 -2.24 -0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1wk1 s ASP 78 CO 0.39 0.32 0.83 -0.22 0.52 0.00 0.00 175.17 177.01 1wk1 s LEU 79 N -1.01 4.07 -0.83 -1.34 1.98 -1.26 0.94 118.68 121.23 1wk1 s LEU 79 Ca 0.23 0.85 -0.24 0.00 -2.89 0.00 0.00 54.13 52.08 1wk1 s LEU 79 Cb -0.16 -3.16 -0.19 0.00 0.66 0.00 0.00 46.19 43.33 1wk1 s LEU 79 CO 0.12 -0.60 2.46 -0.11 -1.89 0.00 0.00 176.35 176.34 1wk1 n LEU 80 N 6.18 0.68 -1.72 -0.68 7.94 -0.23 -4.71 117.00 124.46 1wk1 n LEU 80 Ca 0.05 -0.43 -0.09 0.00 -1.11 0.00 0.00 56.01 54.44 1wk1 n LEU 80 Cb 0.48 -1.13 0.08 0.00 0.53 0.00 0.00 43.42 43.38 1wk1 n LEU 80 CO 0.50 -1.41 0.18 -3.20 -1.11 0.00 0.00 177.39 172.35 1wk1 n ASN 81 N 12.16 3.05 -4.87 1.96 2.85 -1.26 -4.95 115.26 124.20 1wk1 n ASN 81 Ca 0.56 -3.31 -0.36 0.00 -0.11 0.00 0.00 54.58 51.36 1wk1 n ASN 81 Cb 0.25 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wk1 s GLN 82 N -3.16 3.61 0.29 1.20 -2.07 -1.26 -5.00 119.66 113.27 1wk1 s GLN 82 Ca 0.41 0.02 0.08 0.00 -1.82 0.00 0.00 55.36 54.05 1wk1 s GLN 82 Cb 0.38 -3.15 0.45 0.00 -1.09 0.00 0.00 33.01 29.60 1wk1 s GLN 82 CO -0.03 0.70 1.68 -1.00 -1.32 0.00 0.00 175.29 175.33 1wk1 h PRO 83 N 4.49 0.17 -5.51 9.60 0.13 -2.03 -3.42 132.00 135.43 1wk1 h PRO 83 Ca -0.52 -0.09 -0.59 0.00 -0.87 0.00 0.00 66.00 63.93 1wk1 h PRO 83 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1wk1 h PRO 83 CO 0.62 0.61 -0.33 0.42 -0.23 0.00 0.00 178.00 179.08 1wk1 s ILE 84 N -4.01 5.31 0.23 -3.56 1.01 -1.26 -5.08 121.20 113.83 1wk1 s ILE 84 Ca -0.04 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1wk1 s ILE 84 Cb 0.13 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1wk1 s ILE 84 CO 0.77 0.41 0.08 0.42 0.00 0.00 0.00 174.94 176.62 1wk1 s THR 85 N 0.36 0.47 -0.02 2.92 -4.23 -1.26 -4.91 115.64 108.97 1wk1 s THR 85 Ca 0.16 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1wk1 s THR 85 Cb -0.13 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.25 1wk1 s THR 85 CO 0.04 -0.10 0.96 -1.22 -0.54 0.00 0.00 174.62 173.76 1wk1 n TYR 86 N -0.38 0.00 -1.48 3.99 4.01 -1.26 -5.01 117.16 117.03 1wk1 n TYR 86 Ca -0.01 -0.50 -0.53 0.00 -0.16 0.00 0.00 57.90 56.69 1wk1 n TYR 86 Cb 0.66 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.57 1wk1 n TYR 86 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wk1 n TRP 87 N -0.57 0.36 -1.12 -0.72 5.03 -1.25 -2.63 117.44 116.54 1wk1 n TRP 87 Ca 0.03 0.96 -0.16 0.00 3.03 0.00 0.00 57.50 61.35 1wk1 n TRP 87 Cb 0.36 -2.08 0.13 0.00 -1.03 0.00 0.00 31.31 28.69 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1wk1 n ALA 88 N 0.98 -1.43 -1.70 6.99 0.00 -0.22 -4.46 120.51 120.67 1wk1 n ALA 88 Ca 0.18 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 1wk1 n ALA 88 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1wk1 n ALA 88 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wk1 s ASN 89 N -3.38 6.39 -0.35 0.00 3.84 -1.26 -1.03 114.94 119.14 1wk1 s ASN 89 Ca 0.40 2.56 0.00 0.00 0.21 0.00 0.00 52.86 56.03 1wk1 s ASN 89 Cb -0.03 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1wk1 s ASN 89 CO 0.30 -1.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.10 1wk1 n GLY 90 N 4.60 0.63 3.90 1.21 0.00 -1.26 -4.99 105.19 109.27 1wk1 n GLY 90 Ca 0.20 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1wk1 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wk1 s GLU 91 N -1.64 3.29 0.50 1.61 0.41 -0.20 -3.73 118.70 118.94 1wk1 s GLU 91 Ca 0.00 -0.61 -0.21 0.00 -0.41 0.00 0.00 54.97 53.74 1wk1 s GLU 91 Cb 0.00 -2.91 -0.07 0.00 -1.78 0.00 0.00 34.13 29.37 1wk1 s GLU 91 CO 0.00 0.54 1.15 -1.25 -0.49 0.00 0.00 175.26 175.21 1wk1 s PRO 92 N -2.92 3.59 0.36 0.39 0.04 -1.26 -4.64 135.00 130.56 1wk1 s PRO 92 Ca 0.33 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1wk1 s PRO 92 Cb -0.12 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1wk1 s PRO 92 CO 0.27 -0.68 1.24 0.45 0.04 0.00 0.00 177.00 178.32 1wk1 s SER 93 N -1.55 6.64 -0.78 6.66 0.15 -1.24 -4.93 113.70 118.65 1wk1 s SER 93 Ca 0.68 2.53 -0.04 0.00 0.70 0.00 0.00 55.95 59.82 1wk1 s SER 93 Cb -0.26 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.57 1wk1 s SER 93 CO 0.31 -0.61 2.46 0.59 1.20 0.00 0.00 173.24 177.19 1wk1 n ASN 94 N 0.46 7.12 -4.49 5.45 4.13 -1.26 -4.93 115.26 121.73 1wk1 n ASN 94 Ca 0.02 -3.35 -0.33 0.00 1.68 0.00 0.00 54.58 52.60 1wk1 n ASN 94 Cb 0.44 -1.23 -0.13 0.00 -1.54 0.00 0.00 39.78 37.32 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1wk1 s ASP 95 N -0.06 4.17 0.28 6.41 1.01 -1.26 -5.02 116.67 122.19 1wk1 s ASP 95 Ca 0.55 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.69 1wk1 s ASP 95 Cb 0.33 -0.99 0.39 0.00 1.01 0.00 0.00 42.92 43.66 1wk1 s ASP 95 CO -0.22 0.33 1.66 1.55 0.21 0.00 0.00 175.17 178.70 1wk1 h PRO 96 N 5.46 0.26 -0.07 8.23 0.13 -2.05 -3.23 132.00 140.74 1wk1 h PRO 96 Ca -0.45 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.52 1wk1 h PRO 96 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wk1 h PRO 96 CO 0.51 0.67 -0.08 1.79 -0.23 0.00 0.00 178.00 180.66 1wk1 h THR 97 N 0.21 1.38 -3.43 1.56 1.35 -2.00 -3.41 112.91 108.57 1wk1 h THR 97 Ca 0.01 -1.26 -0.59 0.00 -0.55 0.00 0.00 66.41 64.02 1wk1 h THR 97 Cb 0.89 2.07 -0.09 0.00 -1.73 0.00 0.00 68.15 69.30 1wk1 h THR 97 CO 0.07 0.35 0.59 -0.13 -0.25 0.00 0.00 175.52 176.15 1wk1 s ARG 98 N -4.21 3.92 0.00 4.72 0.52 -1.22 -4.30 118.95 118.39 1wk1 s ARG 98 Ca -0.15 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1wk1 s ARG 98 Cb 0.03 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1wk1 s ARG 98 CO 0.71 -0.86 0.00 1.04 0.02 0.00 0.00 175.30 176.21 1wk1 n GLN 99 N 6.62 0.34 -1.99 3.54 6.02 -1.22 -4.55 117.38 126.14 1wk1 n GLN 99 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1wk1 n GLN 99 Cb 0.48 -0.91 0.12 0.00 1.02 0.00 0.00 30.24 30.94 1wk1 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 s VAL 101 N -3.60 0.52 -0.02 0.00 1.01 -1.17 -0.64 120.40 116.51 1wk1 s VAL 101 Ca 0.65 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1wk1 s VAL 101 Cb -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1wk1 s VAL 101 CO 0.49 0.00 -0.05 -0.72 0.00 0.00 0.00 175.10 174.83 1wk1 s TYR 102 N -0.47 0.56 0.08 5.22 -0.85 -0.41 -3.36 117.35 118.12 1wk1 s TYR 102 Ca -0.01 -0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.12 1wk1 s TYR 102 Cb -0.04 -0.43 -0.10 0.00 0.38 0.00 0.00 41.96 41.77 1wk1 s TYR 102 CO -0.00 -0.07 1.88 0.12 -1.52 0.00 0.00 175.55 175.96 1wk1 s PHE 103 N 0.26 1.77 -0.61 -3.49 2.19 0.69 -3.22 117.98 115.58 1wk1 s PHE 103 Ca -0.03 -0.20 -0.19 0.00 0.33 0.00 0.00 56.93 56.84 1wk1 s PHE 103 Cb -0.07 -4.20 0.10 0.00 -1.31 0.00 0.00 43.02 37.55 1wk1 s PHE 103 CO -0.00 -5.14 0.73 0.34 1.83 0.00 0.00 175.22 172.98 1wk1 s ASP 104 N 3.46 6.20 0.26 6.13 -1.08 0.11 -2.66 116.67 129.09 1wk1 s ASP 104 Ca 0.84 -1.44 0.13 0.00 -0.52 0.00 0.00 52.55 51.56 1wk1 s ASP 104 Cb -0.44 -2.31 0.12 0.00 -1.46 0.00 0.00 42.92 38.83 1wk1 s ASP 104 CO 0.38 -1.13 1.46 1.23 0.52 0.00 0.00 175.17 177.64 1wk1 h GLY 105 N 10.05 0.00 -2.03 2.66 0.00 -1.57 -3.14 103.07 109.05 1wk1 h GLY 105 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1wk1 h GLY 105 CO 1.10 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.18 1wk1 n ARG 106 N -3.34 2.65 -1.69 4.80 1.74 -1.26 -3.18 116.66 116.38 1wk1 n ARG 106 Ca 0.01 -1.48 -0.30 0.00 -0.77 0.00 0.00 57.85 55.31 1wk1 n ARG 106 Cb 0.74 -1.73 0.06 0.00 -1.02 0.00 0.00 32.46 30.51 1wk1 n ARG 106 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wk1 s SER 107 N -0.53 5.05 0.39 0.55 0.15 -1.19 -4.96 113.70 113.17 1wk1 s SER 107 Ca 0.26 1.29 0.19 0.00 0.70 0.00 0.00 55.95 58.39 1wk1 s SER 107 Cb 0.18 -2.09 0.79 0.00 -1.71 0.00 0.00 66.02 63.20 1wk1 s SER 107 CO 0.10 -1.61 1.80 1.23 1.20 0.00 0.00 173.24 175.95 1wk1 h GLY 108 N -0.84 0.00 -3.84 9.45 0.00 -1.91 -3.45 103.07 102.49 1wk1 h GLY 108 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1wk1 h GLY 108 CO 0.61 0.00 -0.48 -0.35 0.00 0.00 0.00 176.54 176.32 1wk1 s ASP 109 N -6.49 0.15 0.28 0.19 -1.08 -1.26 -5.04 116.67 103.42 1wk1 s ASP 109 Ca -0.01 -0.54 0.14 0.00 -0.52 0.00 0.00 52.55 51.62 1wk1 s ASP 109 Cb 0.12 0.26 0.28 0.00 -1.46 0.00 0.00 42.92 42.12 1wk1 s ASP 109 CO 0.68 -0.56 1.55 0.07 0.52 0.00 0.00 175.17 177.43 1wk1 h LYS 110 N 3.46 0.00 0.00 4.34 2.10 -1.92 -3.00 116.57 121.55 1wk1 h LYS 110 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1wk1 h LYS 110 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1wk1 h LYS 110 CO 0.52 0.59 0.00 0.66 -2.00 0.00 0.00 179.45 179.21 1wk1 h SER 111 N 0.00 0.00 -0.91 7.07 4.64 -1.95 -3.02 113.55 119.38 1wk1 h SER 111 Ca -0.01 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 1wk1 h SER 111 Cb 1.23 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.90 1wk1 h SER 111 CO 0.08 0.00 -0.75 0.29 -0.87 0.00 0.00 176.83 175.57 1wk1 n LYS 112 N -2.59 3.56 0.06 4.77 5.02 -1.13 -3.90 118.16 123.95 1wk1 n LYS 112 Ca 0.02 -4.21 0.00 0.00 -2.02 0.00 0.00 58.31 52.10 1wk1 n LYS 112 Cb 0.28 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 32.96 1wk1 n LYS 112 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wk1 h VAL 113 N 2.23 0.66 -2.34 -0.18 -1.51 -1.44 -3.39 116.25 110.27 1wk1 h VAL 113 Ca 0.36 -2.14 -0.53 0.00 -1.23 0.00 0.00 66.70 63.17 1wk1 h VAL 113 Cb 1.40 2.18 -0.03 0.00 -2.13 0.00 0.00 31.29 32.71 1wk1 h VAL 113 CO 0.80 0.38 1.30 0.26 -1.23 0.00 0.00 177.57 179.07 1wk1 s TRP 114 N -2.91 1.79 -0.08 5.19 0.52 -1.08 0.07 118.94 122.45 1wk1 s TRP 114 Ca -0.01 0.72 0.03 0.00 0.02 0.00 0.00 56.10 56.85 1wk1 s TRP 114 Cb 0.08 -4.13 0.01 0.00 -1.15 0.00 0.00 33.47 28.28 1wk1 s TRP 114 CO 0.79 -2.47 -0.15 0.99 0.02 0.00 0.00 176.95 176.14 1wk1 s THR 115 N 7.97 1.36 0.23 2.01 2.01 -1.20 -1.05 115.64 126.97 1wk1 s THR 115 Ca 0.70 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 1wk1 s THR 115 Cb -0.16 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.04 1wk1 s THR 115 CO 0.26 0.41 0.82 0.42 -0.69 0.00 0.00 174.62 175.84 1wk1 s THR 116 N 0.65 4.34 0.21 -0.82 -4.23 -1.26 -1.29 115.64 113.24 1wk1 s THR 116 Ca -0.14 1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 61.83 1wk1 s THR 116 Cb -0.16 -4.06 0.04 0.00 1.34 0.00 0.00 72.50 69.66 1wk1 s THR 116 CO 0.04 0.34 0.62 -1.81 -0.54 0.00 0.00 174.62 173.27 1wk1 s ASP 117 N -1.40 -0.38 0.52 3.99 1.11 0.19 -4.93 116.67 115.77 1wk1 s ASP 117 Ca 0.42 -0.33 -0.21 0.00 0.18 0.00 0.00 52.55 52.61 1wk1 s ASP 117 Cb -0.21 0.64 -0.08 0.00 1.07 0.00 0.00 42.92 44.34 1wk1 s ASP 117 CO 0.25 -1.12 0.86 1.07 1.18 0.00 0.00 175.17 177.41 1wk1 n THR 118 N -0.39 2.83 0.04 -1.27 5.66 -1.26 -2.65 114.28 117.23 1wk1 n THR 118 Ca -0.11 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.31 1wk1 n THR 118 Cb 0.62 -1.01 0.10 0.00 -1.55 0.00 0.00 70.33 68.49 1wk1 n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wk1 n ALA 120 N -0.14 1.86 -2.06 0.00 0.00 -1.26 -3.42 120.51 115.49 1wk1 n ALA 120 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1wk1 n ALA 120 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 1wk1 n ALA 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wk1 s THR 121 N -1.36 3.58 -0.46 0.00 2.01 -1.23 -4.64 115.64 113.54 1wk1 s THR 121 Ca 0.00 0.81 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 1wk1 s THR 121 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1wk1 s THR 121 CO 0.00 -0.05 1.77 -2.16 -0.69 0.00 0.00 174.62 173.49 1wk1 s PRO 122 N 3.53 3.06 0.06 4.92 0.04 -1.26 -4.05 135.00 141.29 1wk1 s PRO 122 Ca 0.70 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1wk1 s PRO 122 Cb -0.33 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1wk1 s PRO 122 CO 0.28 -2.19 -0.01 1.03 0.04 0.00 0.00 177.00 176.15 1wk1 s ARG 123 N 6.15 0.64 0.86 4.56 0.52 -1.13 -4.62 118.95 125.94 1wk1 s ARG 123 Ca 0.72 -1.22 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1wk1 s ARG 123 Cb -0.17 0.22 0.11 0.00 0.52 0.00 0.00 34.95 35.63 1wk1 s ARG 123 CO 0.28 -0.13 1.09 -1.25 0.02 0.00 0.00 175.30 175.31 1wk1 s PRO 124 N -3.92 1.56 0.26 3.54 0.04 -1.25 -0.74 135.00 134.49 1wk1 s PRO 124 Ca 0.08 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 1wk1 s PRO 124 Cb 0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wk1 s PRO 124 CO -0.09 -2.06 0.34 1.97 0.04 0.00 0.00 177.00 177.20 1wk1 n PHE 125 N -3.77 -1.10 -3.68 0.56 -1.74 -1.26 0.13 117.46 106.60 1wk1 n PHE 125 Ca 0.08 -1.84 -0.19 0.00 -0.56 0.00 0.00 57.45 54.93 1wk1 n PHE 125 Cb 0.55 0.39 -0.17 0.00 1.52 0.00 0.00 39.48 41.76 1wk1 n PHE 125 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1wk1 s ILE 126 N -2.77 -0.12 0.15 1.97 1.01 -1.26 -2.62 121.20 117.55 1wk1 s ILE 126 Ca 0.23 0.39 -0.19 0.00 0.00 0.00 0.00 60.65 61.08 1wk1 s ILE 126 Cb -0.00 -0.16 -0.07 0.00 0.01 0.00 0.00 42.46 42.23 1wk1 s ILE 126 CO 0.17 0.16 0.64 0.00 0.00 0.00 0.00 174.94 175.91 1wk1 s GLN 128 N -1.55 1.66 0.20 0.00 0.74 0.22 -2.42 119.66 118.51 1wk1 s GLN 128 Ca 0.36 -0.46 -0.17 0.00 0.05 0.00 0.00 55.36 55.14 1wk1 s GLN 128 Cb -0.18 -1.40 -0.08 0.00 1.10 0.00 0.00 33.01 32.45 1wk1 s GLN 128 CO 0.21 0.09 0.65 -1.59 -0.55 0.00 0.00 175.29 174.10 1wk1 s LYS 129 N 0.45 4.12 0.70 1.67 -2.85 -1.26 -0.59 119.74 121.98 1wk1 s LYS 129 Ca -0.11 0.70 -0.15 0.00 -1.00 0.00 0.00 55.97 55.40 1wk1 s LYS 129 Cb -0.14 -2.87 0.02 0.00 -2.06 0.00 0.00 37.83 32.79 1wk1 s LYS 129 CO 0.03 0.41 1.19 -1.58 0.10 0.00 0.00 175.35 175.50 1wk1 s HIS 130 N -1.53 2.18 -0.96 1.78 5.65 -1.26 -4.96 115.29 116.18 1wk1 s HIS 130 Ca 0.42 1.58 -0.02 0.00 0.25 0.00 0.00 55.06 57.29 1wk1 s HIS 130 Cb -0.15 -3.43 0.29 0.00 -1.18 0.00 0.00 32.58 28.11 1wk1 s HIS 130 CO 0.20 -2.42 1.23 2.89 -0.65 0.00 0.00 174.74 175.99 1wk1 n ARG 131 N -2.54 3.82 -4.08 2.88 1.85 -1.26 -5.00 116.66 112.32 1wk1 n ARG 131 Ca 0.13 -4.58 -0.14 0.00 -1.00 0.00 0.00 57.85 52.27 1wk1 n ARG 131 Cb 0.50 -2.44 -0.12 0.00 -1.05 0.00 0.00 32.46 29.35 1wk1 n ARG 131 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1wk1 s TYR 132 N -2.52 0.71 0.92 2.89 1.13 -1.26 -5.14 117.35 114.08 1wk1 s TYR 132 Ca 0.33 -0.46 -0.16 0.00 -1.41 0.00 0.00 57.07 55.37 1wk1 s TYR 132 Cb 0.05 -0.42 -0.08 0.00 -1.10 0.00 0.00 41.96 40.41 1wk1 s TYR 132 CO 0.05 -0.06 -0.28 -3.47 -2.51 0.00 0.00 175.55 169.28 1wk1 n ASP 133 N 1.58 -4.26 -3.30 -0.18 2.03 -1.26 -3.35 116.55 107.81 1wk1 n ASP 133 Ca -0.22 0.30 -0.17 0.00 0.52 0.00 0.00 54.79 55.22 1wk1 n ASP 133 Cb 0.55 -0.94 0.08 0.00 -0.72 0.00 0.00 41.12 40.09 1wk1 n ASP 133 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wk1 n SER 134 N 1.64 -2.59 -4.54 1.67 2.88 -1.26 -4.83 113.62 106.59 1wk1 n SER 134 Ca 0.02 -0.57 -0.40 0.00 -1.33 0.00 0.00 58.87 56.59 1wk1 n SER 134 Cb 0.54 -4.83 -0.05 0.00 -0.75 0.00 0.00 64.21 59.12 1wk1 n SER 134 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wk1 n ASP 135 N -2.96 2.32 -4.79 -3.46 9.92 -1.21 -4.92 116.55 111.44 1wk1 n ASP 135 Ca -0.23 -0.13 -0.33 0.00 -0.53 0.00 0.00 54.79 53.56 1wk1 n ASP 135 Cb 0.65 -1.47 0.01 0.00 -0.64 0.00 0.00 41.12 39.67 1wk1 n ASP 135 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1wk1 s HIS 136 N 10.25 2.87 -0.10 1.24 3.76 -1.26 -5.07 115.29 126.98 1wk1 s HIS 136 Ca 1.04 1.53 -0.06 0.00 -0.15 0.00 0.00 55.06 57.42 1wk1 s HIS 136 Cb -0.42 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 30.22 1wk1 s HIS 136 CO 0.34 -1.27 0.23 0.21 -0.85 0.00 0.00 174.74 173.41 1wk1 s LYS 137 N -3.91 0.22 0.47 1.40 2.20 -1.26 -5.10 119.74 113.76 1wk1 s LYS 137 Ca 0.66 0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 56.48 1wk1 s LYS 137 Cb -0.18 -0.02 -0.07 0.00 -1.51 0.00 0.00 37.83 36.04 1wk1 s LYS 137 CO 0.35 -0.11 1.16 -1.25 -0.36 0.00 0.00 175.35 175.14 1wk1 s PRO 138 N 0.80 3.73 -0.71 4.03 0.04 -1.26 -5.01 135.00 136.62 1wk1 s PRO 138 Ca -0.06 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wk1 s PRO 138 Cb -0.07 -2.38 0.18 0.00 0.04 0.00 0.00 34.50 32.27 1wk1 s PRO 138 CO -0.05 -0.57 0.53 1.21 0.04 0.00 0.00 177.00 178.16 1wk1 s ASN 139 N -1.39 5.24 0.36 6.66 3.84 -1.26 -4.57 114.94 123.81 1wk1 s ASN 139 Ca 0.64 -3.37 0.03 0.00 0.21 0.00 0.00 52.86 50.37 1wk1 s ASN 139 Cb -0.28 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.59 1wk1 s ASN 139 CO 0.34 -0.23 0.10 0.28 -2.79 0.00 0.00 177.10 174.81 1wk1 s THR 140 N -0.81 0.77 -0.21 -5.21 -1.32 -1.26 -5.06 115.64 102.54 1wk1 s THR 140 Ca 0.22 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.41 1wk1 s THR 140 Cb -0.14 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1wk1 s THR 140 CO -0.09 0.00 1.01 -0.63 -2.21 0.00 0.00 174.62 172.70 1wk1 s ILE 141 N -3.33 4.72 -0.11 5.08 1.09 -1.26 -3.75 121.20 123.64 1wk1 s ILE 141 Ca 0.31 1.98 -0.09 0.00 -1.10 0.00 0.00 60.65 61.75 1wk1 s ILE 141 Cb 0.05 -4.29 0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1wk1 s ILE 141 CO 0.15 -0.13 0.28 -0.83 -0.10 0.00 0.00 174.94 174.30 1wk1 s GLY 142 N 1.19 -0.20 -0.30 6.18 0.00 -1.24 -4.92 107.32 108.03 1wk1 s GLY 142 Ca 0.44 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.94 1wk1 s GLY 142 CO 0.08 0.78 0.80 0.51 0.00 0.00 0.00 173.10 175.27 1wk1 s ASP 143 N 0.34 -1.02 0.22 1.64 1.47 -1.26 -4.67 116.67 113.39 1wk1 s ASP 143 Ca -0.02 0.44 0.10 0.00 1.18 0.00 0.00 52.55 54.26 1wk1 s ASP 143 Cb -0.03 1.78 -0.05 0.00 -0.34 0.00 0.00 42.92 44.28 1wk1 s ASP 143 CO -0.01 -0.19 -0.20 0.00 0.68 0.00 0.00 175.17 175.45 1wk1 s ALA 144 N 2.90 2.42 -0.21 2.11 0.00 -1.26 -5.07 121.76 122.65 1wk1 s ALA 144 Ca 0.13 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 1wk1 s ALA 144 Cb -0.11 -0.24 -0.19 0.00 0.00 0.00 0.00 23.12 22.59 1wk1 s ALA 144 CO -0.19 0.28 0.14 0.45 0.00 0.00 0.00 175.76 176.43 1wk1 n SER 145 N -0.16 1.90 0.00 0.00 2.88 -1.26 -5.11 113.62 111.88 1wk1 n SER 145 Ca -0.09 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wk1 n SER 145 Cb 0.58 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1wk1 n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 146 N 1.48 2.30 0.26 0.46 0.00 -1.26 -4.95 105.19 103.48 1wk1 n GLY 146 Ca -0.36 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1wk1 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk1 h PRO 147 N 0.00 0.90 -6.57 1.61 0.13 -2.04 -3.44 132.00 122.57 1wk1 h PRO 147 Ca 0.00 -0.47 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 1wk1 h PRO 147 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1wk1 h PRO 147 CO 0.00 1.12 -0.06 -1.12 -0.23 0.00 0.00 178.00 177.71 1wk1 s SER 148 N -6.85 6.53 -0.12 1.44 0.01 -1.26 -5.05 113.70 108.40 1wk1 s SER 148 Ca -0.11 0.91 -0.25 0.00 1.31 0.00 0.00 55.95 57.81 1wk1 s SER 148 Cb 0.11 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 1wk1 s SER 148 CO 0.88 -0.21 0.81 -0.55 0.41 0.00 0.00 173.24 174.57 1wk1 s SER 149 N -2.88 7.00 0.00 2.44 0.15 -1.26 -5.16 113.70 113.99 1wk1 s SER 149 Ca 0.47 1.22 0.12 0.00 0.70 0.00 0.00 55.95 58.46 1wk1 s SER 149 Cb -0.11 -2.45 0.10 0.00 -1.71 0.00 0.00 66.02 61.85 1wk1 s SER 149 CO 0.27 -0.30 0.89 0.61 1.20 0.00 0.00 173.24 175.91