#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wee h SER 2 N 0.00 -1.22 -3.41 1.61 0.02 -2.16 -3.43 113.55 104.97 1wee h SER 2 Ca 0.00 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1wee h SER 2 Cb 0.00 0.59 -0.23 0.00 0.14 0.00 0.00 62.40 62.90 1wee h SER 2 CO 0.00 -0.32 0.20 -0.55 -1.14 0.00 0.00 176.83 175.02 1wee s SER 3 N -5.15 -0.72 0.30 3.07 0.15 -1.26 -5.18 113.70 104.92 1wee s SER 3 Ca -0.14 1.28 0.05 0.00 0.70 0.00 0.00 55.95 57.83 1wee s SER 3 Cb 0.15 1.30 0.05 0.00 -1.71 0.00 0.00 66.02 65.80 1wee s SER 3 CO 0.68 -0.21 0.40 0.61 1.20 0.00 0.00 173.24 175.92 1wee n GLY 4 N 3.14 2.05 3.68 9.45 0.00 -1.26 -5.14 105.19 117.10 1wee n GLY 4 Ca -0.16 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 1wee n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wee s SER 5 N -2.88 3.97 -0.21 1.61 1.04 -1.26 -5.14 113.70 110.84 1wee s SER 5 Ca 0.31 -1.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 1wee s SER 5 Cb -0.02 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1wee s SER 5 CO 0.19 -0.62 0.05 -0.55 0.98 0.00 0.00 173.24 173.29 1wee s SER 6 N -3.78 3.05 0.00 7.02 0.15 -1.26 -4.98 113.70 113.90 1wee s SER 6 Ca 0.23 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wee s SER 6 Cb 0.06 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1wee s SER 6 CO 0.12 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wee n GLY 7 N 5.04 -1.77 3.35 9.45 0.00 -1.26 -5.18 105.19 114.82 1wee n GLY 7 Ca -0.08 0.67 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 1wee n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wee s MET 8 N 0.00 0.85 -0.28 1.61 0.00 -1.26 -5.04 119.30 115.18 1wee s MET 8 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 55.69 55.70 1wee s MET 8 Cb 0.00 0.39 0.58 0.00 0.00 0.00 0.00 34.83 35.80 1wee s MET 8 CO 0.00 -0.26 1.57 -0.85 0.00 0.00 0.00 175.02 175.48 1wee n GLU 9 N 0.96 2.61 -4.59 3.16 0.00 -1.26 -4.99 120.64 116.54 1wee n GLU 9 Ca -0.20 -3.04 -0.27 0.00 0.00 0.00 0.00 57.16 53.65 1wee n GLU 9 Cb 0.57 -1.95 -0.10 0.00 0.00 0.00 0.00 31.44 29.96 1wee n GLU 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1wee s ARG 10 N -3.07 1.91 0.00 3.44 0.52 -1.26 -5.07 118.95 115.42 1wee s ARG 10 Ca 0.47 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 1wee s ARG 10 Cb 0.40 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1wee s ARG 10 CO 0.07 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1wee n GLY 11 N -0.93 0.68 3.04 -3.53 0.00 -1.26 -4.91 105.19 98.26 1wee n GLY 11 Ca -0.06 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1wee n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 12 N 0.00 1.50 0.00 1.61 1.01 -1.26 -4.99 120.40 118.27 1wee s VAL 12 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1wee s VAL 12 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1wee s VAL 12 CO 0.00 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 174.87 1wee n ASP 13 N 4.42 1.04 -0.02 3.32 2.03 -1.26 -4.89 116.55 121.19 1wee n ASP 13 Ca -0.18 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.11 1wee n ASP 13 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1wee n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wee n ASN 14 N -2.82 3.60 -4.55 1.67 5.15 -1.26 -4.92 115.26 112.13 1wee n ASN 14 Ca 0.00 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.83 1wee n ASN 14 Cb 0.47 0.77 -0.09 0.00 -0.53 0.00 0.00 39.78 40.40 1wee n ASN 14 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1wee n TRP 15 N -2.11 1.04 -1.22 1.20 7.02 -1.26 -4.79 117.44 117.32 1wee n TRP 15 Ca -0.08 -0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 56.07 1wee n TRP 15 Cb 0.58 -2.38 -0.10 0.00 -2.42 0.00 0.00 31.31 26.99 1wee n TRP 15 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wee n LYS 16 N 8.44 0.57 -2.81 -0.99 4.76 -1.26 -4.80 118.16 122.06 1wee n LYS 16 Ca 0.49 -1.62 -0.44 0.00 -2.87 0.00 0.00 58.31 53.87 1wee n LYS 16 Cb 0.40 -3.24 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 1wee n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1wee n VAL 17 N 7.62 4.22 -3.68 -0.18 0.31 -1.26 -2.28 118.33 123.08 1wee n VAL 17 Ca 0.45 -4.59 -0.30 0.00 -0.01 0.00 0.00 64.34 59.90 1wee n VAL 17 Cb 0.44 -2.44 -0.15 0.00 -0.91 0.00 0.00 33.84 30.78 1wee n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1wee s ASP 18 N 2.75 3.88 0.25 4.52 1.11 -1.25 -3.62 116.67 124.31 1wee s ASP 18 Ca 0.44 -1.65 0.06 0.00 0.18 0.00 0.00 52.55 51.58 1wee s ASP 18 Cb -0.00 -0.75 -0.03 0.00 1.07 0.00 0.00 42.92 43.20 1wee s ASP 18 CO 0.01 -0.41 0.34 0.00 1.18 0.00 0.00 175.17 176.29 1wee h LYS 20 N 1.20 0.73 -0.90 0.00 2.10 -1.92 -2.05 116.57 115.73 1wee h LYS 20 Ca -0.51 -0.04 0.21 0.00 -2.00 0.00 0.00 60.65 58.32 1wee h LYS 20 Cb 1.23 -0.17 -0.12 0.00 -0.90 0.00 0.00 32.23 32.28 1wee h LYS 20 CO 0.60 0.48 0.41 0.00 -2.00 0.00 0.00 179.45 178.95 1wee n GLY 22 N -1.33 1.29 3.62 0.00 0.00 -0.77 -5.14 105.19 102.86 1wee n GLY 22 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1wee n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wee s THR 23 N -1.90 4.00 -0.02 2.61 2.01 -1.25 -4.99 115.64 116.10 1wee s THR 23 Ca 0.00 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.71 1wee s THR 23 Cb 0.00 -2.67 -0.12 0.00 0.01 0.00 0.00 72.50 69.73 1wee s THR 23 CO 0.00 0.59 0.15 2.29 -0.69 0.00 0.00 174.62 176.97 1wee n LYS 24 N 2.29 0.51 -4.20 4.92 0.00 -1.24 -3.07 118.16 117.38 1wee n LYS 24 Ca -0.18 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.31 57.95 1wee n LYS 24 Cb 0.53 -1.18 -0.10 0.00 -0.00 0.00 0.00 35.03 34.28 1wee n LYS 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1wee s ASP 25 N -2.99 1.23 -0.25 -5.58 2.15 -1.26 -4.49 116.67 105.48 1wee s ASP 25 Ca -0.03 -1.05 -0.31 0.00 0.43 0.00 0.00 52.55 51.59 1wee s ASP 25 Cb 0.05 0.09 -0.08 0.00 -0.30 0.00 0.00 42.92 42.67 1wee s ASP 25 CO 0.32 -0.48 2.17 0.47 -0.17 0.00 0.00 175.17 177.48 1wee n ASP 26 N -0.11 2.86 -2.13 -0.34 9.92 -1.26 -4.83 116.55 120.66 1wee n ASP 26 Ca -0.10 0.37 -0.24 0.00 -0.53 0.00 0.00 54.79 54.29 1wee n ASP 26 Cb 0.61 -1.43 0.04 0.00 -0.64 0.00 0.00 41.12 39.71 1wee n ASP 26 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1wee n ASP 27 N 10.43 6.87 0.00 -2.24 5.75 -1.26 -4.83 116.55 131.27 1wee n ASP 27 Ca 0.33 -3.32 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 1wee n ASP 27 Cb 0.35 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1wee n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wee n GLY 28 N 0.02 1.28 3.77 6.12 0.00 -1.26 -4.96 105.19 110.16 1wee n GLY 28 Ca 0.43 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1wee n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wee s GLU 29 N 0.00 4.24 0.62 1.61 2.02 -1.26 -5.01 118.70 120.92 1wee s GLU 29 Ca 0.00 1.72 -0.16 0.00 0.02 0.00 0.00 54.97 56.55 1wee s GLU 29 Cb 0.00 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 1wee s GLU 29 CO 0.00 -0.12 1.10 0.50 0.02 0.00 0.00 175.26 176.76 1wee s ARG 30 N -2.15 3.03 0.17 1.61 3.52 -1.26 -4.97 118.95 118.90 1wee s ARG 30 Ca 0.54 1.39 -0.05 0.00 -0.13 0.00 0.00 55.73 57.48 1wee s ARG 30 Cb -0.28 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 1wee s ARG 30 CO 0.35 -1.07 0.20 -1.64 -0.81 0.00 0.00 175.30 172.33 1wee s MET 31 N -3.92 1.12 -0.03 5.12 -1.94 -1.26 -3.08 119.30 115.31 1wee s MET 31 Ca 0.67 -1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 1wee s MET 31 Cb -0.20 0.32 0.01 0.00 2.01 0.00 0.00 34.83 36.97 1wee s MET 31 CO 0.37 -0.38 0.08 -0.48 -0.01 0.00 0.00 175.02 174.60 1wee s LEU 32 N -3.03 1.70 0.06 -0.03 2.34 -1.03 -4.82 118.68 113.87 1wee s LEU 32 Ca 0.24 0.16 -0.31 0.00 0.06 0.00 0.00 54.13 54.28 1wee s LEU 32 Cb 0.05 0.26 -0.06 0.00 -0.56 0.00 0.00 46.19 45.88 1wee s LEU 32 CO 0.03 -0.03 1.33 0.00 -1.06 0.00 0.00 176.35 176.62 1wee s ALA 33 N 0.05 3.52 -0.33 1.48 0.00 -1.25 -2.28 121.76 122.95 1wee s ALA 33 Ca -0.00 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 1wee s ALA 33 Cb -0.01 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1wee s ALA 33 CO 0.00 -0.64 1.63 0.00 0.00 0.00 0.00 175.76 176.74 1wee h ASP 35 N 11.65 0.49 0.00 0.00 3.58 -1.59 1.22 116.42 131.76 1wee h ASP 35 Ca -0.32 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1wee h ASP 35 Cb 1.14 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1wee h ASP 35 CO 1.04 -0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.98 1wee n GLY 36 N -1.38 -2.90 0.14 -0.78 0.00 -1.24 -4.38 105.19 94.64 1wee n GLY 36 Ca 0.30 0.32 -0.26 0.00 0.00 0.00 0.00 46.02 46.37 1wee n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wee n GLY 38 N 1.54 0.45 3.05 0.00 0.00 0.42 -4.98 105.19 105.68 1wee n GLY 38 Ca -0.52 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 1wee n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 39 N -0.24 0.79 0.31 1.61 1.01 -1.25 -4.69 120.40 117.95 1wee s VAL 39 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1wee s VAL 39 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1wee s VAL 39 CO 0.00 0.12 1.01 0.26 0.00 0.00 0.00 175.10 176.49 1wee s TRP 40 N -0.43 3.63 -0.01 5.22 0.52 -0.97 0.42 118.94 127.32 1wee s TRP 40 Ca 0.02 1.76 -0.08 0.00 0.02 0.00 0.00 56.10 57.82 1wee s TRP 40 Cb -0.05 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 1wee s TRP 40 CO -0.00 -0.14 0.16 -1.01 0.02 0.00 0.00 176.95 175.98 1wee s HIS 41 N -1.41 -0.00 -0.62 -1.98 3.76 -0.96 -4.08 115.29 109.99 1wee s HIS 41 Ca 0.49 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.10 1wee s HIS 41 Cb -0.25 -0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.37 1wee s HIS 41 CO 0.31 -0.27 2.12 -1.01 -0.85 0.00 0.00 174.74 175.04 1wee s HIS 42 N -1.21 1.41 0.61 1.40 3.76 -1.26 -2.46 115.29 117.54 1wee s HIS 42 Ca -0.13 1.17 0.26 0.00 -0.15 0.00 0.00 55.06 56.22 1wee s HIS 42 Cb -0.07 -3.83 0.96 0.00 1.11 0.00 0.00 32.58 30.75 1wee s HIS 42 CO 0.02 -2.25 1.36 1.79 -0.85 0.00 0.00 174.74 174.80 1wee h THR 43 N 7.30 0.04 0.20 1.30 1.35 -1.90 1.74 112.91 122.94 1wee h THR 43 Ca -0.19 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.35 1wee h THR 43 Cb 1.17 0.07 0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1wee h THR 43 CO 1.18 0.00 -1.38 -0.09 -0.25 0.00 0.00 175.52 174.98 1wee h ARG 44 N 0.00 0.53 -0.09 4.72 2.43 -1.83 0.31 114.38 120.45 1wee h ARG 44 Ca 0.44 -0.83 -0.22 0.00 -0.81 0.00 0.00 59.98 58.57 1wee h ARG 44 Cb 2.70 0.30 0.01 0.00 -0.42 0.00 0.00 29.97 32.56 1wee h ARG 44 CO -0.00 1.39 -0.82 0.00 -1.51 0.00 0.00 179.97 179.02 1wee h ILE 46 N 0.40 1.25 0.00 0.00 3.07 -1.14 -3.47 117.51 117.62 1wee h ILE 46 Ca -0.06 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 65.31 1wee h ILE 46 Cb 1.44 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1wee h ILE 46 CO 0.16 0.37 0.00 0.61 -1.05 0.00 0.00 178.15 178.23 1wee n GLY 47 N -0.59 0.13 2.55 0.16 0.00 -1.09 -5.10 105.19 101.24 1wee n GLY 47 Ca 0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1wee n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wee s ILE 48 N 0.00 1.00 1.16 -0.61 -1.09 0.11 -5.00 121.20 116.77 1wee s ILE 48 Ca 0.00 -2.91 -0.17 0.00 -2.23 0.00 0.00 60.65 55.35 1wee s ILE 48 Cb 0.00 -1.68 0.19 0.00 -1.58 0.00 0.00 42.46 39.39 1wee s ILE 48 CO 0.00 -1.13 0.41 0.59 -1.23 0.00 0.00 174.94 173.58 1wee n ASN 49 N 2.84 -2.24 -1.89 3.58 4.13 -1.26 -4.44 115.26 115.98 1wee n ASN 49 Ca 0.24 -0.19 -0.13 0.00 1.68 0.00 0.00 54.58 56.18 1wee n ASN 49 Cb 0.43 -1.06 -0.02 0.00 -1.54 0.00 0.00 39.78 37.58 1wee n ASN 49 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wee n ASN 50 N -3.07 5.94 0.00 6.41 3.02 -1.26 -3.62 115.26 122.68 1wee n ASN 50 Ca 0.01 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 1wee n ASN 50 Cb 0.59 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wee n ALA 51 N 1.12 1.77 -2.71 5.41 0.00 -1.26 -5.09 120.51 119.75 1wee n ALA 51 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 1wee n ALA 51 Cb 0.60 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 1wee n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wee s ASP 52 N -2.79 6.33 0.87 0.00 1.01 -1.24 -5.11 116.67 115.74 1wee s ASP 52 Ca 0.00 0.42 -0.13 0.00 0.71 0.00 0.00 52.55 53.55 1wee s ASP 52 Cb 0.00 -2.02 0.14 0.00 1.01 0.00 0.00 42.92 42.05 1wee s ASP 52 CO 0.00 -0.21 1.22 0.00 0.21 0.00 0.00 175.17 176.39 1wee s ALA 53 N -2.16 2.57 -0.02 5.23 0.00 -1.26 -4.88 121.76 121.24 1wee s ALA 53 Ca 0.39 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1wee s ALA 53 Cb -0.10 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1wee s ALA 53 CO 0.33 -2.00 1.08 -0.51 0.00 0.00 0.00 175.76 174.66 1wee s LEU 54 N -5.67 4.33 0.10 0.00 1.43 -1.26 -5.00 118.68 112.60 1wee s LEU 54 Ca 0.68 1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 55.23 1wee s LEU 54 Cb -0.07 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1wee s LEU 54 CO 0.50 -0.41 1.37 -2.16 0.23 0.00 0.00 176.35 175.88 1wee s PRO 55 N 1.46 4.33 0.33 1.29 0.04 -1.26 -4.90 135.00 136.29 1wee s PRO 55 Ca 0.54 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.72 1wee s PRO 55 Cb -0.23 -3.30 0.99 0.00 0.04 0.00 0.00 34.50 32.00 1wee s PRO 55 CO 0.25 -0.44 1.66 0.77 0.04 0.00 0.00 177.00 179.28 1wee h SER 56 N 6.93 0.37 -4.64 6.66 0.02 -2.03 -3.40 113.55 117.46 1wee h SER 56 Ca -0.42 0.19 -0.21 0.00 -0.84 0.00 0.00 61.79 60.52 1wee h SER 56 Cb 1.21 0.18 -0.23 0.00 0.14 0.00 0.00 62.40 63.70 1wee h SER 56 CO 0.86 -0.15 -0.71 -1.59 -1.14 0.00 0.00 176.83 174.10 1wee s LYS 57 N -5.74 0.29 0.01 3.45 -2.85 -1.26 -4.97 119.74 108.68 1wee s LYS 57 Ca -0.11 -0.49 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 1wee s LYS 57 Cb 0.29 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1wee s LYS 57 CO 0.78 -0.01 -0.04 0.12 0.10 0.00 0.00 175.35 176.30 1wee s PHE 58 N -1.09 0.39 -0.14 1.78 5.36 -1.26 -4.95 117.98 118.07 1wee s PHE 58 Ca -0.11 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 1wee s PHE 58 Cb -0.08 -0.25 -0.00 0.00 -0.34 0.00 0.00 43.02 42.35 1wee s PHE 58 CO -0.01 -0.03 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.05 1wee s LEU 59 N -0.40 2.41 0.61 6.12 1.02 -1.26 -1.45 118.68 125.73 1wee s LEU 59 Ca -0.01 -0.48 -0.17 0.00 0.02 0.00 0.00 54.13 53.49 1wee s LEU 59 Cb -0.03 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 1wee s LEU 59 CO -0.00 0.11 1.11 0.00 0.02 0.00 0.00 176.35 177.59 1wee h PHE 61 N 0.51 -0.66 -0.29 0.00 -1.00 -2.00 0.60 116.94 114.08 1wee h PHE 61 Ca -0.48 0.08 0.07 0.00 2.81 0.00 0.00 57.97 60.45 1wee h PHE 61 Cb 1.25 0.41 -0.07 0.00 3.61 0.00 0.00 35.95 41.15 1wee h PHE 61 CO 0.54 -0.37 -0.22 0.00 -1.61 0.00 0.00 178.31 176.64 1wee h ARG 62 N -0.04 -0.20 -0.42 1.51 2.47 -2.01 -2.15 114.38 113.54 1wee h ARG 62 Ca 0.35 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.16 1wee h ARG 62 Cb 0.59 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.86 1wee h ARG 62 CO -0.83 -0.13 -0.29 0.00 0.56 0.00 0.00 179.97 179.28 1wee n ILE 64 N -5.41 -0.17 -0.05 0.00 5.41 -0.81 0.19 119.36 118.52 1wee n ILE 64 Ca 0.02 1.29 -0.17 0.00 1.00 0.00 0.00 62.75 64.89 1wee n ILE 64 Cb 0.33 -2.11 -0.14 0.00 -0.71 0.00 0.00 39.64 37.01 1wee n ILE 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wee n GLU 65 N -4.08 0.70 -0.20 0.38 1.02 0.05 -4.33 120.64 114.17 1wee n GLU 65 Ca 0.29 0.20 -0.03 0.00 -0.02 0.00 0.00 57.16 57.61 1wee n GLU 65 Cb 1.15 -1.64 0.08 0.00 -0.02 0.00 0.00 31.44 31.01 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wee h LEU 66 N 0.03 0.45 -8.56 -4.62 5.85 0.35 -3.41 115.31 105.40 1wee h LEU 66 Ca -0.46 0.03 -0.71 0.00 0.84 0.00 0.00 57.88 57.58 1wee h LEU 66 Cb 2.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.98 1wee h LEU 66 CO 0.03 0.30 1.29 -0.24 -0.34 0.00 0.00 178.44 179.47 1wee n SER 67 N -4.84 1.91 -3.53 1.25 2.88 0.50 -4.88 113.62 106.91 1wee n SER 67 Ca 0.07 0.61 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 1wee n SER 67 Cb 0.17 -1.16 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1wee n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wee s GLY 68 N 6.23 -0.40 -0.79 0.46 0.00 -1.26 -5.02 107.32 106.53 1wee s GLY 68 Ca 1.09 1.33 -0.25 0.00 0.00 0.00 0.00 44.72 46.89 1wee s GLY 68 CO 0.56 0.52 1.91 2.56 0.00 0.00 0.00 173.10 178.66 1wee s PRO 69 N -2.57 2.58 -0.16 2.90 0.04 -1.26 -4.94 135.00 131.60 1wee s PRO 69 Ca 0.04 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.14 1wee s PRO 69 Cb -0.01 -4.81 0.02 0.00 0.04 0.00 0.00 34.50 29.74 1wee s PRO 69 CO -0.06 -3.13 -0.18 -1.12 0.04 0.00 0.00 177.00 172.55 1wee s SER 70 N 8.05 2.93 -0.30 6.66 0.01 -1.26 -5.09 113.70 124.70 1wee s SER 70 Ca 0.69 -0.57 -0.10 0.00 1.31 0.00 0.00 55.95 57.27 1wee s SER 70 Cb -0.09 -1.35 0.13 0.00 0.21 0.00 0.00 66.02 64.92 1wee s SER 70 CO 0.07 -0.00 0.65 -0.55 0.41 0.00 0.00 173.24 173.82 1wee s SER 71 N 1.25 -1.13 0.00 2.44 0.15 -1.26 -5.28 113.70 109.87 1wee s SER 71 Ca 0.02 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1wee s SER 71 Cb -0.13 2.24 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 1wee s SER 71 CO -0.10 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.73