#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weu s SER 2 N 0.00 -0.05 0.03 1.61 0.15 -1.26 -5.19 113.70 108.99 1weu s SER 2 Ca 0.00 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.19 1weu s SER 2 Cb 0.00 0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1weu s SER 2 CO 0.00 -0.36 1.23 -0.94 1.20 0.00 0.00 173.24 174.37 1weu s SER 3 N -3.13 -0.02 0.07 5.45 1.04 -1.26 -5.20 113.70 110.66 1weu s SER 3 Ca 0.17 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 1weu s SER 3 Cb 0.03 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1weu s SER 3 CO -0.03 -0.45 0.48 0.61 0.98 0.00 0.00 173.24 174.83 1weu n GLY 4 N -0.75 0.93 3.83 7.32 0.00 -1.26 -5.19 105.19 110.07 1weu n GLY 4 Ca -0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 1weu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 5 N -2.13 -0.19 0.35 1.61 0.15 -1.26 -5.19 113.70 107.04 1weu s SER 5 Ca 0.11 -0.66 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 1weu s SER 5 Cb -0.01 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 1weu s SER 5 CO 0.02 -1.30 0.80 -0.55 1.20 0.00 0.00 173.24 173.41 1weu s SER 6 N -2.97 -0.05 0.00 5.45 0.15 -1.26 -5.19 113.70 109.83 1weu s SER 6 Ca 0.12 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1weu s SER 6 Cb -0.05 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1weu s SER 6 CO 0.07 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.56 1weu n GLY 7 N -0.53 3.31 3.37 9.45 0.00 -1.26 -5.15 105.19 114.38 1weu n GLY 7 Ca -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.77 1weu n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 8 N 0.00 -0.88 1.15 1.61 0.15 -1.26 -5.18 113.70 109.29 1weu s SER 8 Ca 0.00 0.93 -0.12 0.00 0.70 0.00 0.00 55.95 57.46 1weu s SER 8 Cb 0.00 1.89 0.18 0.00 -1.71 0.00 0.00 66.02 66.38 1weu s SER 8 CO 0.00 -0.17 0.64 -0.81 1.20 0.00 0.00 173.24 174.10 1weu n PRO 9 N 5.28 -2.27 -3.87 5.44 -0.04 -1.26 -5.10 135.00 133.18 1weu n PRO 9 Ca -0.08 -1.02 -0.10 0.00 -0.04 0.00 0.00 63.50 62.26 1weu n PRO 9 Cb 0.51 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 32.96 1weu n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1weu s GLU 10 N -4.45 1.21 0.33 0.54 -1.05 -1.26 -5.18 118.70 108.83 1weu s GLU 10 Ca 0.42 -1.04 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 1weu s GLU 10 Cb -0.04 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 1weu s GLU 10 CO 0.32 -0.47 0.69 -0.47 0.95 0.00 0.00 175.26 176.28 1weu s TYR 11 N -3.92 0.16 0.00 4.83 5.04 -1.26 -5.18 117.35 117.02 1weu s TYR 11 Ca 0.13 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 1weu s TYR 11 Cb 0.02 0.60 0.00 0.00 0.35 0.00 0.00 41.96 42.93 1weu s TYR 11 CO -0.02 -1.33 0.00 0.41 -1.34 0.00 0.00 175.55 173.27 1weu n GLY 12 N -0.49 3.76 3.60 8.97 0.00 -1.26 -5.17 105.19 114.60 1weu n GLY 12 Ca -0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 1weu n GLY 12 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1weu s MET 13 N 4.41 0.53 0.44 1.61 0.23 -1.26 -5.18 119.30 120.07 1weu s MET 13 Ca 0.00 1.14 -0.07 0.00 -1.03 0.00 0.00 55.69 55.73 1weu s MET 13 Cb 0.00 0.49 0.11 0.00 -1.53 0.00 0.00 34.83 33.90 1weu s MET 13 CO 0.00 -0.15 0.39 -0.35 -2.03 0.00 0.00 175.02 172.88 1weu n PRO 14 N 4.82 -1.79 -4.68 3.16 -0.04 -1.26 -5.09 135.00 130.12 1weu n PRO 14 Ca -0.14 -0.62 -0.32 0.00 -0.04 0.00 0.00 63.50 62.38 1weu n PRO 14 Cb 0.53 -0.58 -0.08 0.00 -0.04 0.00 0.00 33.50 33.34 1weu n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1weu s SER 15 N -2.55 4.13 0.09 3.54 0.01 -1.26 -5.16 113.70 112.50 1weu s SER 15 Ca 0.25 -1.57 0.08 0.00 1.31 0.00 0.00 55.95 56.02 1weu s SER 15 Cb -0.02 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1weu s SER 15 CO 0.19 -0.79 -0.19 0.54 0.41 0.00 0.00 173.24 173.40 1weu s VAL 16 N -2.84 2.78 -0.23 3.43 0.11 -1.26 -5.12 120.40 117.27 1weu s VAL 16 Ca 0.13 -1.38 -0.09 0.00 -2.93 0.00 0.00 61.98 57.71 1weu s VAL 16 Cb 0.03 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1weu s VAL 16 CO 0.07 0.20 0.11 0.28 -3.33 0.00 0.00 175.10 172.43 1weu s THR 17 N -1.05 4.84 1.09 5.04 -1.32 -1.26 -5.09 115.64 117.89 1weu s THR 17 Ca 0.16 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.46 1weu s THR 17 Cb -0.10 -3.25 0.09 0.00 -1.51 0.00 0.00 72.50 67.73 1weu s THR 17 CO 0.08 0.36 -0.10 2.22 -2.21 0.00 0.00 174.62 174.96 1weu n PHE 18 N 4.44 -1.65 -2.65 9.09 -1.74 -1.26 -5.02 117.46 118.67 1weu n PHE 18 Ca -0.16 0.15 -0.03 0.00 -0.56 0.00 0.00 57.45 56.86 1weu n PHE 18 Cb 0.52 -1.49 0.04 0.00 1.52 0.00 0.00 39.48 40.07 1weu n PHE 18 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1weu n GLY 19 N 2.31 -1.92 3.96 4.97 0.00 -1.26 -5.17 105.19 108.08 1weu n GLY 19 Ca 0.02 1.40 -0.23 0.00 0.00 0.00 0.00 46.02 47.21 1weu n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 20 N 0.87 5.38 -0.18 1.61 1.04 -1.26 -5.11 113.70 116.04 1weu s SER 20 Ca 0.23 0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 1weu s SER 20 Cb 0.16 -1.14 0.07 0.00 0.10 0.00 0.00 66.02 65.21 1weu s SER 20 CO -0.11 -1.09 0.41 0.54 0.98 0.00 0.00 173.24 173.97 1weu s VAL 21 N -2.80 -0.29 0.11 5.02 0.11 -1.26 -5.13 120.40 116.16 1weu s VAL 21 Ca 0.55 0.13 -0.34 0.00 -2.93 0.00 0.00 61.98 59.39 1weu s VAL 21 Cb -0.10 -0.63 -0.14 0.00 -1.53 0.00 0.00 36.38 33.98 1weu s VAL 21 CO 0.40 0.05 1.61 1.57 -3.33 0.00 0.00 175.10 175.40 1weu n HIS 22 N 4.77 2.23 -0.86 1.54 -0.00 -1.26 -4.97 115.22 116.67 1weu n HIS 22 Ca -0.17 0.25 -0.20 0.00 0.46 0.00 0.00 57.72 58.07 1weu n HIS 22 Cb 0.53 -2.55 0.17 0.00 -0.12 0.00 0.00 29.99 28.01 1weu n HIS 22 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1weu n PRO 23 N 3.90 -2.43 -4.07 1.57 -0.04 -1.26 -5.06 135.00 127.61 1weu n PRO 23 Ca 0.18 -1.15 -0.27 0.00 -0.04 0.00 0.00 63.50 62.22 1weu n PRO 23 Cb 0.28 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1weu n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weu s SER 24 N -3.45 5.57 -0.29 3.54 0.15 -1.26 -5.11 113.70 112.85 1weu s SER 24 Ca 0.47 -0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.88 1weu s SER 24 Cb -0.05 -1.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.93 1weu s SER 24 CO 0.36 0.09 0.98 -0.62 1.20 0.00 0.00 173.24 175.25 1weu s ASP 25 N -2.93 -0.50 -0.27 5.45 2.15 -1.26 -5.18 116.67 114.14 1weu s ASP 25 Ca 0.31 0.80 -0.27 0.00 0.43 0.00 0.00 52.55 53.81 1weu s ASP 25 Cb -0.11 1.24 0.17 0.00 -0.30 0.00 0.00 42.92 43.92 1weu s ASP 25 CO 0.23 -0.12 1.26 0.54 -0.17 0.00 0.00 175.17 176.91 1weu s VAL 26 N 1.42 0.00 -0.06 1.11 0.11 -1.26 -5.04 120.40 116.68 1weu s VAL 26 Ca -0.09 0.00 0.13 0.00 -2.93 0.00 0.00 61.98 59.10 1weu s VAL 26 Cb -0.04 -1.00 -0.22 0.00 -1.53 0.00 0.00 36.38 33.60 1weu s VAL 26 CO -0.15 0.00 0.67 -0.11 -3.33 0.00 0.00 175.10 172.18 1weu n LEU 27 N 1.27 0.84 -4.56 2.54 7.94 -1.26 -4.74 117.00 119.03 1weu n LEU 27 Ca -0.08 0.39 -0.27 0.00 -1.11 0.00 0.00 56.01 54.95 1weu n LEU 27 Cb 0.57 0.17 -0.05 0.00 0.53 0.00 0.00 43.42 44.64 1weu n LEU 27 CO 0.06 0.35 1.37 -0.62 -1.11 0.00 0.00 177.39 177.44 1weu s ASP 28 N -6.01 4.99 0.02 1.96 -1.08 -1.26 -4.91 116.67 110.38 1weu s ASP 28 Ca -0.05 -0.44 -0.39 0.00 -0.52 0.00 0.00 52.55 51.16 1weu s ASP 28 Cb 0.08 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.80 1weu s ASP 28 CO 0.82 -2.84 1.23 0.80 0.52 0.00 0.00 175.17 175.70 1weu n MET 29 N 8.89 0.57 -2.26 4.34 0.00 -1.26 -4.87 117.12 122.53 1weu n MET 29 Ca 0.39 0.21 -0.40 0.00 -0.00 0.00 0.00 57.70 57.89 1weu n MET 29 Cb 0.47 -1.78 -0.03 0.00 0.00 0.00 0.00 33.22 31.89 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1weu s PRO 30 N 0.40 4.40 -0.47 2.12 0.04 -1.26 -4.87 135.00 135.35 1weu s PRO 30 Ca 0.88 2.03 -0.38 0.00 0.04 0.00 0.00 61.00 63.57 1weu s PRO 30 Cb -1.12 -3.05 -0.15 0.00 0.04 0.00 0.00 34.50 30.22 1weu s PRO 30 CO 0.53 -0.08 2.22 0.28 0.04 0.00 0.00 177.00 179.99 1weu n VAL 31 N 0.81 0.08 -0.96 -0.36 0.31 -1.26 -4.84 118.33 112.11 1weu n VAL 31 Ca 0.00 -0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 63.83 1weu n VAL 31 Cb 0.43 -1.09 0.06 0.00 -0.91 0.00 0.00 33.84 32.33 1weu n VAL 31 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1weu n ASP 32 N 9.09 -4.81 0.17 4.52 5.68 -1.26 -4.85 116.55 125.09 1weu n ASP 32 Ca 0.49 0.16 0.02 0.00 -0.50 0.00 0.00 54.79 54.97 1weu n ASP 32 Cb 0.11 -0.79 0.31 0.00 -1.14 0.00 0.00 41.12 39.60 1weu n ASP 32 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1weu h PRO 33 N -1.13 0.00 -2.37 0.11 0.13 -2.05 -3.46 132.00 123.23 1weu h PRO 33 Ca -0.43 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.34 1weu h PRO 33 Cb 1.32 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1weu h PRO 33 CO 0.25 0.44 -0.40 -1.71 -0.23 0.00 0.00 178.00 176.35 1weu n ASN 34 N -3.88 -4.94 -4.94 1.44 2.85 -1.26 -4.96 115.26 99.57 1weu n ASN 34 Ca -0.01 0.23 -0.24 0.00 -0.11 0.00 0.00 54.58 54.44 1weu n ASN 34 Cb 0.48 -4.27 -0.01 0.00 1.24 0.00 0.00 39.78 37.23 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1weu s GLU 35 N -4.36 3.47 0.81 1.20 0.41 -1.26 -5.09 118.70 113.88 1weu s GLU 35 Ca 0.00 -0.31 -0.11 0.00 -0.41 0.00 0.00 54.97 54.14 1weu s GLU 35 Cb 0.00 -2.64 0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1weu s GLU 35 CO 0.00 0.11 1.09 -1.25 -0.49 0.00 0.00 175.26 174.72 1weu s PRO 36 N -4.35 1.96 0.01 0.39 0.04 -1.26 -4.83 135.00 126.96 1weu s PRO 36 Ca 0.41 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1weu s PRO 36 Cb -0.10 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1weu s PRO 36 CO 0.37 -1.82 -0.14 0.95 0.04 0.00 0.00 177.00 176.39 1weu s THR 37 N -2.91 1.12 0.05 1.26 -4.23 -1.26 -3.98 115.64 105.69 1weu s THR 37 Ca 0.62 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1weu s THR 37 Cb -0.17 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 1weu s THR 37 CO 0.56 0.19 -0.04 -1.22 -0.54 0.00 0.00 174.62 173.56 1weu n TYR 38 N 2.37 0.00 -0.93 3.99 4.02 -1.18 -4.83 117.16 120.60 1weu n TYR 38 Ca -0.16 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.42 1weu n TYR 38 Cb 0.55 -0.07 0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1weu n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1weu h LEU 40 N -0.39 0.59 0.00 0.00 4.07 -1.96 0.28 115.31 117.89 1weu h LEU 40 Ca -0.35 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1weu h LEU 40 Cb 1.14 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1weu h LEU 40 CO 0.27 0.33 0.00 0.00 -1.08 0.00 0.00 178.44 177.97 1weu n HIS 42 N -1.47 -1.81 -4.54 0.00 8.25 0.97 -5.04 115.22 111.58 1weu n HIS 42 Ca 0.01 0.70 -0.26 0.00 -0.26 0.00 0.00 57.72 57.91 1weu n HIS 42 Cb 0.02 -4.09 -0.11 0.00 1.12 0.00 0.00 29.99 26.94 1weu n HIS 42 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1weu s GLN 43 N -4.57 1.81 0.25 -0.41 -1.52 -1.26 -4.85 119.66 109.10 1weu s GLN 43 Ca 0.18 -1.94 -0.31 0.00 -1.95 0.00 0.00 55.36 51.34 1weu s GLN 43 Cb -0.02 -1.63 -0.11 0.00 -0.22 0.00 0.00 33.01 31.02 1weu s GLN 43 CO 0.57 0.11 1.64 0.14 -0.25 0.00 0.00 175.29 177.50 1weu s VAL 44 N -2.67 2.11 -0.79 1.09 -7.23 -1.26 -3.10 120.40 108.56 1weu s VAL 44 Ca 0.33 0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 60.33 1weu s VAL 44 Cb 0.04 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1weu s VAL 44 CO 0.16 0.01 1.60 -0.94 -0.31 0.00 0.00 175.10 175.62 1weu s SER 45 N 0.81 5.80 0.75 4.85 1.04 -1.26 -4.95 113.70 120.75 1weu s SER 45 Ca 0.68 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1weu s SER 45 Cb -0.48 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.18 1weu s SER 45 CO 0.40 -2.08 0.62 0.00 0.98 0.00 0.00 173.24 173.16 1weu n TYR 46 N 11.04 -3.49 0.00 5.02 4.11 -1.26 -5.04 117.16 127.54 1weu n TYR 46 Ca 0.20 -0.83 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1weu n TYR 46 Cb 0.50 -0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 1weu n TYR 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1weu n GLY 47 N 0.60 -0.19 1.87 -7.48 0.00 -1.26 -4.51 105.19 94.22 1weu n GLY 47 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1weu n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1weu n GLU 48 N 0.00 0.00 -3.56 1.61 0.28 -1.26 -4.91 120.64 112.80 1weu n GLU 48 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1weu n GLU 48 Cb 0.00 -0.76 -0.05 0.00 1.43 0.00 0.00 31.44 32.05 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1weu s MET 49 N 1.06 0.74 0.00 3.44 -1.94 -1.26 -4.70 119.30 116.64 1weu s MET 49 Ca 0.51 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 1weu s MET 49 Cb -0.73 0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.46 1weu s MET 49 CO 0.38 -0.23 0.00 0.44 -0.01 0.00 0.00 175.02 175.59 1weu n ILE 50 N 0.74 0.00 -1.63 2.53 -0.00 -1.25 -4.94 119.36 114.82 1weu n ILE 50 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1weu n ILE 50 Cb 0.58 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 1weu n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1weu n GLY 51 N 2.78 -4.13 3.69 3.28 0.00 -1.26 -4.79 105.19 104.75 1weu n GLY 51 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1weu n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weu h ASP 53 N 7.09 0.00 -2.77 0.00 5.19 -1.72 -3.41 116.42 120.80 1weu h ASP 53 Ca -0.32 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.53 1weu h ASP 53 Cb 1.15 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1weu h ASP 53 CO 0.85 0.00 1.01 0.21 -3.12 0.00 0.00 179.24 178.19 1weu s ASN 54 N -5.16 6.75 0.53 6.45 2.47 -1.26 -4.89 114.94 119.84 1weu s ASN 54 Ca -0.05 1.92 0.32 0.00 0.42 0.00 0.00 52.86 55.47 1weu s ASN 54 Cb 0.13 -2.54 1.32 0.00 -1.45 0.00 0.00 41.25 38.72 1weu s ASN 54 CO 0.41 -0.90 1.97 1.55 -3.72 0.00 0.00 177.10 176.42 1weu h PRO 55 N 9.10 0.00 0.07 0.43 0.13 -2.03 -2.95 132.00 136.75 1weu h PRO 55 Ca -0.33 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.54 1weu h PRO 55 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1weu h PRO 55 CO 0.97 0.05 -1.11 0.22 -0.23 0.00 0.00 178.00 177.90 1weu h ASP 56 N 0.00 0.57 -1.54 1.44 1.82 -1.94 -3.45 116.42 113.32 1weu h ASP 56 Ca -0.00 -0.52 -0.73 0.00 -0.39 0.00 0.00 57.03 55.39 1weu h ASP 56 Cb 0.53 -0.18 0.03 0.00 0.68 0.00 0.00 39.33 40.39 1weu h ASP 56 CO 0.01 1.35 0.76 0.00 -1.61 0.00 0.00 179.24 179.75 1weu h SER 58 N 6.34 0.03 0.48 0.00 0.02 -1.89 -3.32 113.55 115.20 1weu h SER 58 Ca -0.47 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 1weu h SER 58 Cb 1.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1weu h SER 58 CO 0.91 0.22 -0.23 0.40 -1.14 0.00 0.00 176.83 176.99 1weu h ILE 59 N -0.16 0.00 -7.06 3.27 2.04 -1.92 -3.46 117.51 110.21 1weu h ILE 59 Ca 0.01 -0.42 -0.61 0.00 1.00 0.00 0.00 64.86 64.84 1weu h ILE 59 Cb 0.20 0.00 -0.32 0.00 -0.74 0.00 0.00 36.82 35.96 1weu h ILE 59 CO -0.00 0.00 -0.89 -1.84 0.00 0.00 0.00 178.15 175.42 1weu n GLU 60 N -4.89 -1.45 -3.20 2.37 0.28 -1.25 -4.87 120.64 107.64 1weu n GLU 60 Ca -0.08 0.21 0.04 0.00 -0.16 0.00 0.00 57.16 57.17 1weu n GLU 60 Cb 0.25 -4.76 -0.02 0.00 1.43 0.00 0.00 31.44 28.35 1weu n GLU 60 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1weu s TRP 61 N -3.34 -0.95 0.18 -1.84 0.52 -1.26 -3.33 118.94 108.92 1weu s TRP 61 Ca 0.75 1.11 0.04 0.00 0.02 0.00 0.00 56.10 58.02 1weu s TRP 61 Cb -0.43 0.37 -0.01 0.00 -1.15 0.00 0.00 33.47 32.25 1weu s TRP 61 CO 1.00 -0.51 0.14 1.19 0.02 0.00 0.00 176.95 178.78 1weu n PHE 62 N 5.39 -0.35 -3.60 -1.98 3.72 -1.26 -1.86 117.46 117.52 1weu n PHE 62 Ca -0.05 -1.46 -0.13 0.00 -0.05 0.00 0.00 57.45 55.76 1weu n PHE 62 Cb 0.52 0.13 0.01 0.00 -0.94 0.00 0.00 39.48 39.20 1weu n PHE 62 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1weu n HIS 63 N -0.36 -1.26 -0.11 1.38 8.25 -1.26 -3.86 115.22 118.00 1weu n HIS 63 Ca 0.03 -1.18 -0.24 0.00 -0.26 0.00 0.00 57.72 56.06 1weu n HIS 63 Cb 0.32 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 1weu n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1weu n PHE 64 N -1.23 0.66 0.60 4.41 3.01 -1.26 -4.00 117.46 119.65 1weu n PHE 64 Ca 0.00 0.27 -0.03 0.00 1.01 0.00 0.00 57.45 58.70 1weu n PHE 64 Cb 0.32 -1.07 0.04 0.00 -0.01 0.00 0.00 39.48 38.77 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weu n ALA 65 N -3.66 3.01 0.00 4.37 0.00 -1.26 -1.01 120.51 121.96 1weu n ALA 65 Ca -0.40 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1weu n ALA 65 Cb 0.79 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1weu n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1weu n VAL 67 N -1.33 0.35 0.00 0.00 0.24 -1.21 -5.00 118.33 111.38 1weu n VAL 67 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1weu n VAL 67 Cb 0.23 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 1weu n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1weu n GLY 68 N 2.81 0.63 3.18 7.63 0.00 -0.69 -5.05 105.19 113.70 1weu n GLY 68 Ca -0.09 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1weu n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weu s LEU 69 N 0.00 1.98 -0.19 0.99 1.43 -0.18 -5.03 118.68 117.69 1weu s LEU 69 Ca 0.00 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1weu s LEU 69 Cb 0.00 -1.07 -0.11 0.00 0.03 0.00 0.00 46.19 45.03 1weu s LEU 69 CO 0.00 0.20 -0.19 0.41 0.23 0.00 0.00 176.35 177.00 1weu n THR 70 N 2.94 1.06 -3.73 5.49 -1.04 -1.26 -4.40 114.28 113.34 1weu n THR 70 Ca -0.17 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.23 1weu n THR 70 Cb 0.53 -1.30 -0.17 0.00 -1.82 0.00 0.00 70.33 67.56 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1weu s THR 71 N -2.37 0.28 -0.37 12.58 -4.23 -1.26 -5.07 115.64 115.19 1weu s THR 71 Ca -0.26 0.03 -0.24 0.00 -1.18 0.00 0.00 61.69 60.04 1weu s THR 71 Cb 0.07 -0.56 -0.12 0.00 1.34 0.00 0.00 72.50 73.24 1weu s THR 71 CO 0.41 0.11 1.35 1.17 -0.54 0.00 0.00 174.62 177.12 1weu n LYS 72 N 5.17 0.00 0.07 3.99 4.81 -1.26 -4.77 118.16 126.17 1weu n LYS 72 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.33 1weu n LYS 72 Cb 0.49 -0.88 0.18 0.00 0.02 0.00 0.00 35.03 34.84 1weu n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1weu h PRO 73 N 5.77 0.31 -4.27 1.64 0.13 -1.98 -3.46 132.00 130.15 1weu h PRO 73 Ca -0.05 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1weu h PRO 73 Cb 0.81 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1weu h PRO 73 CO 0.69 0.70 -0.06 -2.13 -0.23 0.00 0.00 178.00 176.98 1weu n ARG 74 N -3.99 -2.41 -3.05 0.86 0.63 -1.26 -4.74 116.66 102.70 1weu n ARG 74 Ca -0.02 0.01 -0.24 0.00 -0.92 0.00 0.00 57.85 56.68 1weu n ARG 74 Cb 0.52 -3.50 -0.04 0.00 0.45 0.00 0.00 32.46 29.89 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1weu n GLY 75 N -0.43 4.80 2.78 5.14 0.00 -1.26 -4.91 105.19 111.31 1weu n GLY 75 Ca 0.01 -2.36 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 1weu n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1weu n LYS 76 N 0.01 -3.71 -2.96 1.61 4.76 -1.26 -4.97 118.16 111.64 1weu n LYS 76 Ca 0.29 0.63 -0.41 0.00 -2.87 0.00 0.00 58.31 55.94 1weu n LYS 76 Cb 0.49 -4.87 -0.05 0.00 -1.84 0.00 0.00 35.03 28.77 1weu n LYS 76 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1weu s TRP 77 N -3.27 3.35 -0.09 2.13 -0.00 -1.26 -4.93 118.94 114.87 1weu s TRP 77 Ca 0.12 1.10 -0.01 0.00 -0.00 0.00 0.00 56.10 57.31 1weu s TRP 77 Cb -0.02 -2.97 -0.03 0.00 -0.00 0.00 0.00 33.47 30.45 1weu s TRP 77 CO 0.54 -0.30 -0.02 -0.06 -0.00 0.00 0.00 176.95 177.11 1weu s PHE 78 N 2.42 3.10 0.81 5.86 0.40 -1.26 -2.08 117.98 127.23 1weu s PHE 78 Ca 0.34 0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.65 1weu s PHE 78 Cb -0.16 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.65 1weu s PHE 78 CO 0.10 0.40 0.98 0.00 0.70 0.00 0.00 175.22 177.40 1weu n PRO 80 N -2.61 0.49 -0.03 0.00 -0.04 -1.26 -2.11 135.00 129.43 1weu n PRO 80 Ca 0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1weu n PRO 80 Cb 0.51 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.86 1weu n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1weu n ARG 81 N -0.54 1.70 -0.08 0.54 1.74 -1.26 -4.64 116.66 114.12 1weu n ARG 81 Ca 0.01 -0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 1weu n ARG 81 Cb 0.00 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.09 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1weu h SER 83 N -0.55 -0.99 -3.39 0.00 0.87 -1.73 -2.67 113.55 105.10 1weu h SER 83 Ca -0.45 0.29 -0.74 0.00 -1.23 0.00 0.00 61.79 59.66 1weu h SER 83 Cb 1.65 0.62 -0.33 0.00 -0.44 0.00 0.00 62.40 63.91 1weu h SER 83 CO -0.13 -0.31 0.10 1.67 -0.53 0.00 0.00 176.83 177.62 1weu n GLN 84 N -5.58 2.96 -3.25 2.24 -0.06 -1.26 -5.00 117.38 107.43 1weu n GLN 84 Ca 0.14 -4.47 -0.46 0.00 -2.00 0.00 0.00 57.00 50.21 1weu n GLN 84 Cb 0.46 -2.46 -0.04 0.00 -4.06 0.00 0.00 30.24 24.14 1weu n GLN 84 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1weu s GLU 85 N -1.37 3.15 -0.26 3.69 2.02 -1.01 -4.92 118.70 120.01 1weu s GLU 85 Ca 0.29 -1.76 -0.02 0.00 0.02 0.00 0.00 54.97 53.49 1weu s GLU 85 Cb -0.08 -4.34 0.15 0.00 0.10 0.00 0.00 34.13 29.96 1weu s GLU 85 CO -0.11 -1.40 0.43 -1.12 0.02 0.00 0.00 175.26 173.09 1weu s SER 86 N 3.32 -0.18 0.00 -0.19 0.01 -1.26 -5.16 113.70 110.25 1weu s SER 86 Ca 0.09 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1weu s SER 86 Cb -0.23 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1weu s SER 86 CO 0.01 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1weu n GLY 87 N 5.38 0.16 3.61 3.44 0.00 -1.26 -5.04 105.19 111.47 1weu n GLY 87 Ca -0.03 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1weu n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weu s PRO 88 N 0.00 -0.98 0.10 1.61 0.04 -1.26 -5.09 135.00 129.42 1weu s PRO 88 Ca 0.00 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.10 1weu s PRO 88 Cb 0.00 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 1weu s PRO 88 CO 0.00 -3.57 -0.11 -1.54 0.04 0.00 0.00 177.00 171.82 1weu s SER 89 N -3.82 1.53 -0.27 6.66 1.04 -1.26 -5.15 113.70 112.44 1weu s SER 89 Ca 0.70 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 1weu s SER 89 Cb -0.11 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1weu s SER 89 CO 0.56 -0.22 0.68 -0.55 0.98 0.00 0.00 173.24 174.69 1weu s SER 90 N -2.33 -0.83 0.00 7.02 0.15 -1.26 -5.35 113.70 111.10 1weu s SER 90 Ca 0.04 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1weu s SER 90 Cb -0.04 1.37 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1weu s SER 90 CO 0.01 -0.24 0.56 0.61 1.20 0.00 0.00 173.24 175.38