#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd s SER 2 N 0.00 -0.18 -0.37 1.61 1.04 -1.26 -5.13 113.70 109.42 1whd s SER 2 Ca 0.00 -0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.03 1whd s SER 2 Cb 0.00 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1whd s SER 2 CO 0.00 -0.49 1.06 -0.44 0.98 0.00 0.00 173.24 174.35 1whd s SER 3 N -2.62 6.80 0.00 7.02 0.01 -1.26 -4.95 113.70 118.71 1whd s SER 3 Ca 0.10 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1whd s SER 3 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1whd s SER 3 CO -0.04 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1whd n GLY 4 N 4.22 1.48 3.71 3.44 0.00 -1.26 -5.19 105.19 111.58 1whd n GLY 4 Ca 0.11 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 1whd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whd s SER 5 N 0.00 0.15 -0.03 1.61 0.15 -1.26 -5.16 113.70 109.16 1whd s SER 5 Ca 0.00 -1.09 0.02 0.00 0.70 0.00 0.00 55.95 55.58 1whd s SER 5 Cb 0.00 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 1whd s SER 5 CO 0.00 -1.44 -0.08 -0.94 1.20 0.00 0.00 173.24 171.98 1whd s SER 6 N -3.07 1.11 0.14 5.45 1.04 -1.26 -5.04 113.70 112.06 1whd s SER 6 Ca 0.19 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1whd s SER 6 Cb -0.03 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1whd s SER 6 CO 0.12 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1whd n GLY 7 N 3.49 -0.14 4.24 7.32 0.00 -1.26 -5.03 105.19 113.80 1whd n GLY 7 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1whd n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whd n GLU 8 N -3.17 -1.21 0.00 1.61 -0.58 -1.26 -4.90 120.64 111.13 1whd n GLU 8 Ca 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1whd n GLU 8 Cb 0.00 -3.61 0.00 0.00 -0.57 0.00 0.00 31.44 27.26 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whd n GLY 9 N -2.44 0.69 3.26 0.62 0.00 -1.26 -4.94 105.19 101.12 1whd n GLY 9 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1whd n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whd s ASP 10 N -1.24 3.01 1.23 1.61 2.15 -1.26 -5.14 116.67 117.03 1whd s ASP 10 Ca 0.00 -0.50 -0.19 0.00 0.43 0.00 0.00 52.55 52.29 1whd s ASP 10 Cb 0.00 -0.85 0.28 0.00 -0.30 0.00 0.00 42.92 42.04 1whd s ASP 10 CO 0.00 0.23 0.98 -0.81 -0.17 0.00 0.00 175.17 175.41 1whd n PRO 11 N 2.99 -2.94 -4.04 4.34 -0.04 -1.26 -5.04 135.00 129.01 1whd n PRO 11 Ca -0.18 -1.58 -0.32 0.00 -0.04 0.00 0.00 63.50 61.39 1whd n PRO 11 Cb 0.52 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 1whd n PRO 11 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1whd s GLU 12 N -5.24 2.00 -0.18 0.54 -1.05 -1.26 -4.96 118.70 108.55 1whd s GLU 12 Ca 0.64 -1.53 -0.14 0.00 -0.15 0.00 0.00 54.97 53.79 1whd s GLU 12 Cb -0.06 -3.03 -0.21 0.00 -0.44 0.00 0.00 34.13 30.39 1whd s GLU 12 CO 0.49 -0.71 0.22 0.09 0.95 0.00 0.00 175.26 176.30 1whd n ASN 13 N 4.38 1.98 -4.58 0.83 3.02 -1.26 -4.99 115.26 114.64 1whd n ASN 13 Ca -0.08 0.31 -0.25 0.00 -0.03 0.00 0.00 54.58 54.53 1whd n ASN 13 Cb 0.42 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1whd s GLY 14 N -5.25 2.13 0.00 7.41 0.00 -1.26 -1.99 107.32 108.36 1whd s GLY 14 Ca -0.27 -2.03 -0.05 0.00 0.00 0.00 0.00 44.72 42.37 1whd s GLY 14 CO 0.65 -1.97 0.08 1.85 0.00 0.00 0.00 173.10 173.71 1whd s GLU 15 N -3.66 0.39 -0.51 2.90 2.56 -0.39 -4.93 118.70 115.07 1whd s GLU 15 Ca 0.33 -0.40 -0.27 0.00 0.00 0.00 0.00 54.97 54.64 1whd s GLU 15 Cb 0.01 0.16 0.03 0.00 2.00 0.00 0.00 34.13 36.33 1whd s GLU 15 CO 0.18 -0.08 1.03 -1.59 -0.56 0.00 0.00 175.26 174.24 1whd s LYS 16 N -1.24 3.54 0.05 4.30 -2.85 -1.26 -2.56 119.74 119.72 1whd s LYS 16 Ca -0.13 0.19 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 1whd s LYS 16 Cb -0.08 -3.96 -0.04 0.00 -2.06 0.00 0.00 37.83 31.69 1whd s LYS 16 CO 0.01 -1.40 -0.02 -0.51 0.10 0.00 0.00 175.35 173.53 1whd s LEU 17 N 4.19 3.39 0.06 2.77 1.43 -0.71 -4.91 118.68 124.90 1whd s LEU 17 Ca 0.40 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1whd s LEU 17 Cb -0.09 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1whd s LEU 17 CO 0.26 0.22 0.31 -1.58 0.23 0.00 0.00 176.35 175.80 1whd s GLN 18 N -1.94 3.60 -0.19 1.70 0.74 -1.26 -2.62 119.66 119.70 1whd s GLN 18 Ca 0.22 -0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.52 1whd s GLN 18 Cb -0.11 -3.00 0.06 0.00 1.10 0.00 0.00 33.01 31.06 1whd s GLN 18 CO 0.14 0.58 0.07 0.42 -0.55 0.00 0.00 175.29 175.94 1whd s ILE 19 N -1.43 0.23 -0.08 -2.34 -1.09 -1.07 -5.03 121.20 110.38 1whd s ILE 19 Ca 0.33 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 1whd s ILE 19 Cb -0.13 -0.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 1whd s ILE 19 CO 0.20 -0.27 1.41 -0.89 -1.23 0.00 0.00 174.94 174.16 1whd s THR 20 N 1.99 3.90 -0.06 2.92 2.01 -1.26 -3.85 115.64 121.29 1whd s THR 20 Ca 0.01 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.21 1whd s THR 20 Cb -0.17 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1whd s THR 20 CO -0.10 -0.07 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.00 1whd s ILE 21 N 3.23 1.20 0.05 1.82 1.01 -1.11 -4.81 121.20 122.59 1whd s ILE 21 Ca 0.63 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1whd s ILE 21 Cb -0.28 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1whd s ILE 21 CO 0.23 0.36 -0.04 0.00 0.00 0.00 0.00 174.94 175.49 1whd s ARG 22 N 0.42 2.52 -0.20 2.79 1.70 -1.26 -1.25 118.95 123.66 1whd s ARG 22 Ca -0.10 -0.79 -0.31 0.00 -0.47 0.00 0.00 55.73 54.05 1whd s ARG 22 Cb -0.14 -2.51 -0.08 0.00 -0.57 0.00 0.00 34.95 31.65 1whd s ARG 22 CO 0.03 0.57 2.14 -2.13 -1.08 0.00 0.00 175.30 174.82 1whd n ARG 23 N 1.05 1.86 0.00 3.89 0.63 -0.78 -4.72 116.66 118.59 1whd n ARG 23 Ca -0.13 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1whd n ARG 23 Cb 0.52 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1whd n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whd n GLY 24 N 5.62 0.00 3.57 5.14 0.00 -1.26 -5.02 105.19 113.25 1whd n GLY 24 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1whd n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whd s LYS 25 N -1.43 1.98 -0.95 1.61 2.20 -1.26 -4.94 119.74 116.95 1whd s LYS 25 Ca 0.00 -2.22 -0.26 0.00 -0.36 0.00 0.00 55.97 53.13 1whd s LYS 25 Cb 0.00 -0.87 -0.20 0.00 -1.51 0.00 0.00 37.83 35.25 1whd s LYS 25 CO 0.00 -0.43 1.97 -0.25 -0.36 0.00 0.00 175.35 176.28 1whd n ASP 26 N -1.26 1.99 0.00 1.43 9.92 -1.26 -2.60 116.55 124.77 1whd n ASP 26 Ca -0.09 -2.58 0.00 0.00 -0.53 0.00 0.00 54.79 51.59 1whd n ASP 26 Cb 0.66 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whd n GLY 27 N 5.71 0.86 2.22 0.44 0.00 -1.26 -4.67 105.19 108.50 1whd n GLY 27 Ca 0.44 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 1whd n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whd n PHE 28 N 0.00 -1.45 0.00 1.61 3.01 -1.07 -1.98 117.46 117.57 1whd n PHE 28 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1whd n PHE 28 Cb 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 1whd n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1whd n GLY 29 N -0.52 1.12 3.86 1.37 0.00 -1.25 -4.36 105.19 105.41 1whd n GLY 29 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1whd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whd s PHE 30 N 0.00 3.48 -0.12 1.61 -0.71 -0.84 -3.26 117.98 118.14 1whd s PHE 30 Ca 0.00 0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 56.21 1whd s PHE 30 Cb 0.00 -1.84 -0.04 0.00 -1.21 0.00 0.00 43.02 39.93 1whd s PHE 30 CO 0.00 0.64 0.04 0.99 -1.34 0.00 0.00 175.22 175.55 1whd s THR 31 N -1.18 4.59 -0.06 -4.49 2.01 -0.69 -4.85 115.64 110.97 1whd s THR 31 Ca 0.22 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1whd s THR 31 Cb -0.12 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.43 1whd s THR 31 CO 0.12 0.56 -0.01 0.27 -0.69 0.00 0.00 174.62 174.87 1whd s ILE 32 N -0.45 0.35 -0.20 1.82 -4.36 -1.26 -1.88 121.20 115.23 1whd s ILE 32 Ca 0.09 0.07 -0.08 0.00 -0.26 0.00 0.00 60.65 60.47 1whd s ILE 32 Cb -0.12 -0.47 0.08 0.00 1.25 0.00 0.00 42.46 43.20 1whd s ILE 32 CO 0.02 0.23 0.44 0.00 0.24 0.00 0.00 174.94 175.87 1whd s ASP 35 N -3.43 4.10 -0.26 0.00 -4.77 -1.26 -2.19 116.67 108.85 1whd s ASP 35 Ca 0.26 -0.26 -0.26 0.00 -3.30 0.00 0.00 52.55 48.98 1whd s ASP 35 Cb -0.01 -1.38 -0.11 0.00 -1.09 0.00 0.00 42.92 40.33 1whd s ASP 35 CO -0.00 0.23 0.89 -0.24 0.70 0.00 0.00 175.17 176.75 1whd n SER 36 N 3.11 0.64 -4.77 2.11 2.88 -1.10 -4.05 113.62 112.44 1whd n SER 36 Ca -0.18 0.68 -0.35 0.00 -1.33 0.00 0.00 58.87 57.69 1whd n SER 36 Cb 0.53 -0.50 0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1whd s PRO 37 N 1.59 3.27 0.27 -1.46 0.04 -1.25 -4.96 135.00 132.50 1whd s PRO 37 Ca 0.59 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 1whd s PRO 37 Cb -0.84 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 1whd s PRO 37 CO 0.46 -0.91 0.97 0.08 0.04 0.00 0.00 177.00 177.64 1whd s VAL 38 N -1.86 3.98 0.32 -0.36 1.01 -1.22 -4.92 120.40 117.34 1whd s VAL 38 Ca 0.72 1.90 0.03 0.00 0.00 0.00 0.00 61.98 64.63 1whd s VAL 38 Cb -0.23 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1whd s VAL 38 CO 0.29 0.38 0.13 -0.60 0.00 0.00 0.00 175.10 175.31 1whd s ARG 39 N -1.46 1.63 0.14 2.72 3.52 -1.26 -0.84 118.95 123.40 1whd s ARG 39 Ca 0.44 -1.94 -0.08 0.00 -0.13 0.00 0.00 55.73 54.03 1whd s ARG 39 Cb -0.25 -0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 32.77 1whd s ARG 39 CO 0.32 -0.40 0.42 0.08 -0.81 0.00 0.00 175.30 174.91 1whd s VAL 40 N -3.52 5.09 -0.20 7.11 1.01 0.59 -3.25 120.40 127.23 1whd s VAL 40 Ca 0.34 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1whd s VAL 40 Cb 0.05 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1whd s VAL 40 CO 0.16 0.12 -0.26 1.67 0.00 0.00 0.00 175.10 176.78 1whd n GLN 41 N 0.37 0.53 -3.64 2.72 -0.06 -0.79 -3.72 117.38 112.80 1whd n GLN 41 Ca -0.04 0.32 -0.09 0.00 -2.00 0.00 0.00 57.00 55.19 1whd n GLN 41 Cb 0.52 -1.53 -0.07 0.00 -4.06 0.00 0.00 30.24 25.10 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whd s ALA 42 N -2.72 -1.96 -0.11 1.69 0.00 -1.12 -4.63 121.76 112.91 1whd s ALA 42 Ca -0.29 2.02 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 1whd s ALA 42 Cb 0.06 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1whd s ALA 42 CO 0.42 -0.29 0.22 0.08 0.00 0.00 0.00 175.76 176.19 1whd s VAL 43 N 0.56 5.36 0.04 0.00 1.01 -1.26 -1.71 120.40 124.40 1whd s VAL 43 Ca -0.01 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1whd s VAL 43 Cb -0.05 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1whd s VAL 43 CO -0.07 0.55 1.07 -0.62 0.00 0.00 0.00 175.10 176.03 1whd s ASP 44 N -0.62 7.26 -0.25 3.32 2.15 -1.20 -5.00 116.67 122.34 1whd s ASP 44 Ca 0.16 1.84 -0.29 0.00 0.43 0.00 0.00 52.55 54.69 1whd s ASP 44 Cb -0.13 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 1whd s ASP 44 CO 0.05 -0.32 1.09 -0.94 -0.17 0.00 0.00 175.17 174.88 1whd s SER 45 N 0.87 7.02 0.00 -0.34 1.04 -1.26 -3.37 113.70 117.66 1whd s SER 45 Ca 0.54 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1whd s SER 45 Cb -0.25 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1whd s SER 45 CO 0.29 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1whd n GLY 46 N 3.54 1.04 2.65 7.32 0.00 -1.26 -5.09 105.19 113.40 1whd n GLY 46 Ca 0.12 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1whd n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whd n GLY 47 N -0.98 3.43 0.00 -0.02 0.00 -1.22 -5.00 105.19 101.40 1whd n GLY 47 Ca 0.00 -2.31 0.08 0.00 0.00 0.00 0.00 46.02 43.79 1whd n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whd n PRO 48 N -1.09 0.34 -0.07 1.61 -0.04 -1.26 -2.49 135.00 132.00 1whd n PRO 48 Ca -0.11 0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1whd n PRO 48 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1whd n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whd n ALA 49 N -1.15 0.43 -0.07 0.55 0.00 -1.26 -4.11 120.51 114.88 1whd n ALA 49 Ca 0.09 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1whd n ALA 49 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1whd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1whd h GLU 50 N -0.94 0.36 -0.32 0.00 4.22 -1.76 -1.65 114.58 114.49 1whd h GLU 50 Ca 0.00 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.50 1whd h GLU 50 Cb 0.48 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1whd h GLU 50 CO 0.00 0.28 0.59 0.07 -2.18 0.00 0.00 179.01 177.78 1whd h ARG 51 N 0.33 0.00 0.02 1.92 0.11 -1.72 0.54 114.38 115.58 1whd h ARG 51 Ca 0.10 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.86 1whd h ARG 51 Cb 0.02 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.05 1whd h ARG 51 CO -0.02 0.00 -1.87 0.00 0.10 0.00 0.00 179.97 178.19 1whd n ALA 52 N -2.08 1.40 0.00 0.08 0.00 -0.67 -5.00 120.51 114.24 1whd n ALA 52 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1whd n ALA 52 Cb 0.72 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1whd n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1whd n GLY 53 N 1.67 0.99 3.80 0.00 0.00 0.19 -4.88 105.19 106.96 1whd n GLY 53 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1whd n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whd s LEU 54 N 0.00 4.20 -0.08 0.99 0.20 -1.04 -4.95 118.68 118.01 1whd s LEU 54 Ca 0.00 0.35 0.05 0.00 0.69 0.00 0.00 54.13 55.21 1whd s LEU 54 Cb 0.00 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.73 1whd s LEU 54 CO 0.00 0.34 -0.23 -1.58 -0.29 0.00 0.00 176.35 174.59 1whd s GLN 55 N -0.63 2.78 1.06 1.98 0.74 -1.26 -4.52 119.66 119.81 1whd s GLN 55 Ca 0.12 -0.85 -0.12 0.00 0.05 0.00 0.00 55.36 54.56 1whd s GLN 55 Cb -0.12 -2.18 0.23 0.00 1.10 0.00 0.00 33.01 32.04 1whd s GLN 55 CO 0.02 0.23 1.06 1.14 -0.55 0.00 0.00 175.29 177.20 1whd s GLN 56 N 0.19 -0.11 -1.20 1.67 -2.07 -1.26 -3.89 119.66 112.99 1whd s GLN 56 Ca -0.14 0.83 -0.07 0.00 -1.82 0.00 0.00 55.36 54.17 1whd s GLN 56 Cb -0.16 -1.65 0.01 0.00 -1.09 0.00 0.00 33.01 30.11 1whd s GLN 56 CO 0.07 -3.18 1.04 1.28 -1.32 0.00 0.00 175.29 173.19 1whd n LEU 57 N -4.53 -3.39 -4.45 2.60 4.77 -1.24 -4.99 117.00 105.77 1whd n LEU 57 Ca 0.05 -0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 55.26 1whd n LEU 57 Cb 0.55 -2.82 -0.11 0.00 -2.33 0.00 0.00 43.42 38.71 1whd n LEU 57 CO 0.56 0.55 -0.51 -0.62 -1.33 0.00 0.00 177.39 176.04 1whd s ASP 58 N -3.47 3.55 -0.14 -1.43 -1.08 -1.25 -4.85 116.67 108.00 1whd s ASP 58 Ca 0.43 -0.84 -0.09 0.00 -0.52 0.00 0.00 52.55 51.53 1whd s ASP 58 Cb -0.19 -0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 40.90 1whd s ASP 58 CO 0.66 0.11 0.18 -0.89 0.52 0.00 0.00 175.17 175.76 1whd s THR 59 N -1.72 5.41 -0.32 1.71 2.01 -1.26 -0.30 115.64 121.17 1whd s THR 59 Ca 0.22 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1whd s THR 59 Cb -0.08 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1whd s THR 59 CO 0.11 0.54 0.85 -0.69 -0.69 0.00 0.00 174.62 174.73 1whd s VAL 60 N -0.46 4.72 -0.13 3.82 1.01 -0.02 -2.68 120.40 126.65 1whd s VAL 60 Ca 0.14 1.22 -0.10 0.00 0.00 0.00 0.00 61.98 63.24 1whd s VAL 60 Cb -0.12 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 1whd s VAL 60 CO 0.03 -0.35 0.09 -0.07 0.00 0.00 0.00 175.10 174.80 1whd h LEU 61 N 9.67 0.00 -7.49 3.92 3.38 -1.47 -3.35 115.31 119.96 1whd h LEU 61 Ca -0.24 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1whd h LEU 61 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 1whd h LEU 61 CO 0.92 0.78 -0.30 0.00 0.09 0.00 0.00 178.44 179.93 1whd s GLN 62 N -1.97 0.58 -0.06 1.13 -2.07 -1.23 -2.05 119.66 113.99 1whd s GLN 62 Ca -0.11 -0.02 0.03 0.00 -1.82 0.00 0.00 55.36 53.43 1whd s GLN 62 Cb 0.01 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1whd s GLN 62 CO 0.25 -0.14 -0.15 -1.17 -1.32 0.00 0.00 175.29 172.76 1whd s LEU 63 N -0.91 1.77 -1.69 2.60 0.20 -0.39 -0.78 118.68 119.47 1whd s LEU 63 Ca -0.10 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1whd s LEU 63 Cb -0.05 -0.93 0.00 0.00 -0.43 0.00 0.00 46.19 44.79 1whd s LEU 63 CO 0.03 0.08 0.00 0.59 -0.29 0.00 0.00 176.35 176.76 1whd n ASN 64 N 3.60 -5.55 -1.24 3.68 5.03 -0.33 -1.34 115.26 119.11 1whd n ASN 64 Ca -0.21 0.05 -0.07 0.00 0.87 0.00 0.00 54.58 55.22 1whd n ASN 64 Cb 0.52 -4.65 0.02 0.00 -1.02 0.00 0.00 39.78 34.64 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1whd n GLU 65 N -2.93 -1.85 -4.31 3.52 1.02 -1.26 -5.05 120.64 109.78 1whd n GLU 65 Ca -0.23 0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1whd n GLU 65 Cb 0.67 -3.81 -0.14 0.00 -0.02 0.00 0.00 31.44 28.14 1whd n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1whd s ARG 66 N -5.03 0.72 -0.46 3.49 1.70 -0.45 -5.10 118.95 113.82 1whd s ARG 66 Ca 0.12 -0.44 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 1whd s ARG 66 Cb -0.05 -0.68 -0.02 0.00 -0.57 0.00 0.00 34.95 33.63 1whd s ARG 66 CO 0.15 0.18 1.77 -1.25 -1.08 0.00 0.00 175.30 175.07 1whd s PRO 67 N -0.52 3.08 -0.14 3.89 0.04 -1.26 -1.27 135.00 138.82 1whd s PRO 67 Ca 0.02 1.02 0.15 0.00 0.04 0.00 0.00 61.00 62.23 1whd s PRO 67 Cb -0.05 -4.25 0.31 0.00 0.04 0.00 0.00 34.50 30.56 1whd s PRO 67 CO 0.00 -2.17 1.16 1.33 0.04 0.00 0.00 177.00 177.36 1whd n VAL 68 N 7.28 1.75 0.19 -0.36 0.24 -0.97 -4.72 118.33 121.74 1whd n VAL 68 Ca 0.21 -2.34 0.03 0.00 -2.04 0.00 0.00 64.34 60.21 1whd n VAL 68 Cb 0.49 -0.12 0.37 0.00 -1.47 0.00 0.00 33.84 33.11 1whd n VAL 68 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1whd h GLU 69 N 0.37 0.00 -0.37 7.34 4.81 -1.55 -2.74 114.58 122.43 1whd h GLU 69 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1whd h GLU 69 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1whd h GLU 69 CO 0.00 0.37 0.00 0.72 -0.73 0.00 0.00 179.01 179.38 1whd n HIS 70 N -3.95 0.63 -2.84 0.92 8.25 -1.26 -3.85 115.22 113.12 1whd n HIS 70 Ca -0.02 -0.57 -0.32 0.00 -0.26 0.00 0.00 57.72 56.56 1whd n HIS 70 Cb 0.42 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1whd s TRP 71 N -1.34 3.39 0.37 4.41 0.52 -1.03 -4.66 118.94 120.60 1whd s TRP 71 Ca 0.29 1.36 0.06 0.00 0.02 0.00 0.00 56.10 57.83 1whd s TRP 71 Cb 0.18 -2.67 0.06 0.00 -1.15 0.00 0.00 33.47 29.89 1whd s TRP 71 CO 0.16 -0.10 0.52 1.63 0.02 0.00 0.00 176.95 179.18 1whd n LYS 72 N -0.86 0.73 -0.08 4.98 5.02 -1.26 -2.72 118.16 123.98 1whd n LYS 72 Ca 0.05 -2.00 -0.14 0.00 -2.02 0.00 0.00 58.31 54.20 1whd n LYS 72 Cb 0.54 -0.16 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 1whd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1whd n VAL 74 N -4.30 0.72 -0.03 0.00 3.14 -1.26 -1.33 118.33 115.28 1whd n VAL 74 Ca -0.05 0.03 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 1whd n VAL 74 Cb 0.48 -0.93 -0.16 0.00 -1.06 0.00 0.00 33.84 32.17 1whd n VAL 74 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1whd n GLU 75 N -2.22 0.66 -0.07 1.45 -0.58 -1.11 -4.34 120.64 114.44 1whd n GLU 75 Ca 0.04 -0.13 -0.05 0.00 -0.42 0.00 0.00 57.16 56.59 1whd n GLU 75 Cb 0.31 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1whd n GLU 75 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1whd n LEU 76 N -2.42 1.81 -0.31 -4.62 7.94 0.51 -4.27 117.00 115.65 1whd n LEU 76 Ca -0.11 0.63 0.20 0.00 -1.11 0.00 0.00 56.01 55.62 1whd n LEU 76 Cb 0.73 -0.88 0.38 0.00 0.53 0.00 0.00 43.42 44.18 1whd n LEU 76 CO 0.45 -0.44 0.83 0.00 -1.11 0.00 0.00 177.39 177.12 1whd n ALA 77 N -3.63 0.67 -0.21 1.96 0.00 -0.44 0.11 120.51 118.97 1whd n ALA 77 Ca -0.08 0.96 0.01 0.00 0.00 0.00 0.00 53.44 54.33 1whd n ALA 77 Cb 0.28 -0.81 0.11 0.00 0.00 0.00 0.00 19.45 19.04 1whd n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1whd h HIS 78 N 0.00 0.08 0.23 0.00 -0.00 -1.75 -1.24 115.15 112.46 1whd h HIS 78 Ca 0.65 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 61.05 1whd h HIS 78 Cb 1.53 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 29.00 1whd h HIS 78 CO -0.27 -0.11 -0.11 0.93 -0.00 0.00 0.00 177.93 178.37 1whd h GLU 79 N 0.18 -0.29 -0.86 5.26 4.39 0.58 -2.87 114.58 120.98 1whd h GLU 79 Ca 0.33 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.27 1whd h GLU 79 Cb 0.53 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.10 1whd h GLU 79 CO -0.48 -0.00 0.13 0.82 -1.16 0.00 0.00 179.01 178.32 1whd h ILE 80 N -0.58 0.27 0.00 3.13 2.04 -0.90 1.09 117.51 122.55 1whd h ILE 80 Ca -0.03 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1whd h ILE 80 Cb 0.43 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1whd h ILE 80 CO 0.05 0.02 -0.19 0.03 0.00 0.00 0.00 178.15 178.07 1whd h ARG 81 N 0.14 0.00 -0.92 2.37 3.08 -1.18 -3.04 114.38 114.83 1whd h ARG 81 Ca 0.52 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.77 1whd h ARG 81 Cb 1.02 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.90 1whd h ARG 81 CO -0.71 0.19 -0.14 1.03 -1.07 0.00 0.00 179.97 179.27 1whd h SER 82 N 0.00 -0.70 -3.49 7.04 0.87 0.15 -3.24 113.55 114.18 1whd h SER 82 Ca -0.00 0.27 -0.70 0.00 -1.23 0.00 0.00 61.79 60.13 1whd h SER 82 Cb 0.36 0.52 -0.34 0.00 -0.44 0.00 0.00 62.40 62.50 1whd h SER 82 CO 0.02 -0.30 -0.54 0.00 -0.53 0.00 0.00 176.83 175.48 1whd h PRO 84 N 8.08 0.33 0.00 0.00 0.13 -1.79 -3.35 132.00 135.41 1whd h PRO 84 Ca -0.14 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1whd h PRO 84 Cb 1.05 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1whd h PRO 84 CO 0.70 0.72 0.00 -1.13 -0.23 0.00 0.00 178.00 178.07 1whd n SER 85 N -3.99 0.00 -3.98 1.44 3.41 -1.26 -4.07 113.62 105.16 1whd n SER 85 Ca -0.02 0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1whd n SER 85 Cb 0.52 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1whd s GLU 86 N -2.25 0.43 -0.02 4.33 -6.30 -1.26 -1.87 118.70 111.77 1whd s GLU 86 Ca 0.00 -0.74 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 1whd s GLU 86 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 34.13 34.31 1whd s GLU 86 CO 0.00 -0.08 0.02 0.96 0.02 0.00 0.00 175.26 176.18 1whd s ILE 87 N -2.13 -0.00 -0.27 -3.70 -5.25 -0.38 -4.76 121.20 104.70 1whd s ILE 87 Ca -0.10 0.15 -0.11 0.00 -0.99 0.00 0.00 60.65 59.61 1whd s ILE 87 Cb -0.05 -0.11 -0.05 0.00 2.95 0.00 0.00 42.46 45.21 1whd s ILE 87 CO -0.03 0.09 0.19 -0.63 -1.79 0.00 0.00 174.94 172.77 1whd s ILE 88 N 0.87 5.31 -0.02 8.37 1.01 -1.26 -2.76 121.20 132.73 1whd s ILE 88 Ca -0.08 0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1whd s ILE 88 Cb -0.11 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1whd s ILE 88 CO -0.02 0.27 -0.21 -1.48 0.00 0.00 0.00 174.94 173.50 1whd s LEU 89 N 1.61 2.03 -0.11 2.97 2.34 -1.25 -1.19 118.68 125.08 1whd s LEU 89 Ca 0.08 -0.38 -0.01 0.00 0.06 0.00 0.00 54.13 53.87 1whd s LEU 89 Cb -0.15 -1.07 -0.03 0.00 -0.56 0.00 0.00 46.19 44.38 1whd s LEU 89 CO 0.09 0.24 -0.05 -0.22 -1.06 0.00 0.00 176.35 175.35 1whd s LEU 90 N -0.41 3.21 0.26 1.48 2.96 0.04 -2.61 118.68 123.61 1whd s LEU 90 Ca 0.06 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1whd s LEU 90 Cb -0.09 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1whd s LEU 90 CO -0.00 0.27 0.09 0.68 -1.32 0.00 0.00 176.35 176.07 1whd s VAL 91 N -0.27 0.60 -0.16 1.68 -7.23 -1.08 -1.23 120.40 112.72 1whd s VAL 91 Ca 0.04 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1whd s VAL 91 Cb -0.13 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1whd s VAL 91 CO 0.02 0.00 -0.06 0.86 -0.31 0.00 0.00 175.10 175.62 1whd s TRP 92 N -3.72 2.96 -0.04 2.82 -0.11 -1.09 -1.73 118.94 118.03 1whd s TRP 92 Ca 0.38 -0.50 0.02 0.00 1.22 0.00 0.00 56.10 57.22 1whd s TRP 92 Cb 0.08 -1.97 0.01 0.00 -1.50 0.00 0.00 33.47 30.09 1whd s TRP 92 CO 0.14 -0.18 -0.09 0.50 -4.62 0.00 0.00 176.95 172.69 1whd s ARG 93 N 0.61 1.11 -0.10 5.86 3.52 -1.06 -4.41 118.95 124.47 1whd s ARG 93 Ca -0.04 -0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.12 1whd s ARG 93 Cb -0.15 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.18 1whd s ARG 93 CO 0.03 0.08 0.31 0.14 -0.81 0.00 0.00 175.30 175.05 1whd s VAL 94 N 0.35 5.25 -0.54 7.11 -7.23 -1.26 -1.26 120.40 122.83 1whd s VAL 94 Ca -0.06 0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 60.59 1whd s VAL 94 Cb -0.11 -3.62 0.14 0.00 0.56 0.00 0.00 36.38 33.35 1whd s VAL 94 CO 0.01 0.48 0.44 -0.44 -0.31 0.00 0.00 175.10 175.28 1whd s SER 95 N -0.25 5.91 0.19 4.85 0.01 -0.84 -4.92 113.70 118.65 1whd s SER 95 Ca 0.19 -2.03 -0.00 0.00 1.31 0.00 0.00 55.95 55.42 1whd s SER 95 Cb -0.14 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1whd s SER 95 CO 0.07 -0.70 0.08 -0.83 0.41 0.00 0.00 173.24 172.27 1whd s GLY 96 N 2.72 1.33 0.00 3.44 0.00 -1.26 -4.84 107.32 108.71 1whd s GLY 96 Ca 0.07 -1.65 0.15 0.00 0.00 0.00 0.00 44.72 43.29 1whd s GLY 96 CO -0.01 -1.45 1.36 -1.55 0.00 0.00 0.00 173.10 171.45 1whd n PRO 97 N -0.26 0.40 -1.33 2.90 -0.04 -1.26 -4.87 135.00 130.55 1whd n PRO 97 Ca -0.02 0.04 -0.52 0.00 -0.04 0.00 0.00 63.50 62.97 1whd n PRO 97 Cb 0.65 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1whd n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whd n SER 98 N -1.08 0.69 -3.22 3.54 2.88 -1.26 -4.87 113.62 110.30 1whd n SER 98 Ca 0.10 0.93 -0.14 0.00 -1.33 0.00 0.00 58.87 58.43 1whd n SER 98 Cb 0.07 -0.70 0.14 0.00 -0.75 0.00 0.00 64.21 62.97 1whd n SER 98 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1whd n SER 99 N 2.62 -2.82 0.00 -3.46 3.41 -1.26 -5.22 113.62 106.88 1whd n SER 99 Ca 0.22 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1whd n SER 99 Cb -0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49