#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk n SER 2 N 0.00 4.37 -3.30 1.61 7.64 -1.26 -4.76 113.62 117.93 1whk n SER 2 Ca 0.00 -3.58 -0.08 0.00 1.01 0.00 0.00 58.87 56.22 1whk n SER 2 Cb 0.00 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.29 1whk n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whk s SER 3 N -1.29 0.22 0.00 6.43 0.01 -1.26 -5.06 113.70 112.76 1whk s SER 3 Ca 0.56 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1whk s SER 3 Cb 0.47 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.87 1whk s SER 3 CO 0.09 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1whk n GLY 4 N 5.36 -1.77 3.43 3.44 0.00 -1.26 -5.10 105.19 109.29 1whk n GLY 4 Ca 0.00 0.83 -0.44 0.00 0.00 0.00 0.00 46.02 46.41 1whk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whk s SER 5 N 0.00 6.66 -0.26 1.61 1.04 -1.26 -4.93 113.70 116.56 1whk s SER 5 Ca 0.00 -2.17 -0.02 0.00 0.48 0.00 0.00 55.95 54.23 1whk s SER 5 Cb 0.00 -2.37 0.15 0.00 0.10 0.00 0.00 66.02 63.90 1whk s SER 5 CO 0.00 -0.97 0.46 -0.44 0.98 0.00 0.00 173.24 173.26 1whk s SER 6 N 3.36 -0.34 0.00 7.02 0.01 -1.26 -5.03 113.70 117.46 1whk s SER 6 Ca 0.30 0.49 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1whk s SER 6 Cb -0.06 1.49 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1whk s SER 6 CO -0.09 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1whk n GLY 7 N 5.39 1.12 2.55 3.44 0.00 -1.26 -4.90 105.19 111.53 1whk n GLY 7 Ca -0.03 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1whk n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whk n GLU 8 N 0.00 -2.47 0.00 1.61 2.13 -1.26 -4.48 120.64 116.17 1whk n GLU 8 Ca 0.00 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1whk n GLU 8 Cb 0.00 -5.70 0.00 0.00 0.27 0.00 0.00 31.44 26.01 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whk n GLY 9 N -1.15 0.05 3.24 8.31 0.00 -1.26 -5.12 105.19 109.27 1whk n GLY 9 Ca -0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 1whk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whk s THR 10 N -1.13 -0.91 -0.32 2.61 2.01 -1.26 -5.12 115.64 111.52 1whk s THR 10 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1whk s THR 10 Cb 0.00 -0.95 0.13 0.00 0.01 0.00 0.00 72.50 71.69 1whk s THR 10 CO 0.00 -0.01 0.24 -0.69 -0.69 0.00 0.00 174.62 173.47 1whk s VAL 11 N 2.80 -0.16 0.07 3.82 1.01 -1.26 -4.82 120.40 121.86 1whk s VAL 11 Ca 0.12 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1whk s VAL 11 Cb -0.14 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1whk s VAL 11 CO -0.19 -0.69 0.58 -0.75 0.00 0.00 0.00 175.10 174.05 1whk s LYS 12 N 1.80 4.24 0.43 2.72 2.47 -1.26 -4.87 119.74 125.26 1whk s LYS 12 Ca 0.13 0.76 0.00 0.00 -1.56 0.00 0.00 55.97 55.30 1whk s LYS 12 Cb -0.17 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 1whk s LYS 12 CO -0.20 0.60 0.00 1.28 0.16 0.00 0.00 175.35 177.19 1whk n LEU 13 N 1.84 -3.49 0.00 5.43 4.77 -1.26 -5.04 117.00 119.26 1whk n LEU 13 Ca -0.10 2.81 -0.01 0.00 -0.03 0.00 0.00 56.01 58.68 1whk n LEU 13 Cb 0.51 -2.62 -0.00 0.00 -2.33 0.00 0.00 43.42 38.97 1whk n LEU 13 CO 0.42 0.06 -0.07 1.57 -1.33 0.00 0.00 177.39 178.04 1whk n HIS 14 N -0.44 0.00 -3.64 -1.77 -0.00 -1.26 -5.03 115.22 103.09 1whk n HIS 14 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1whk n HIS 14 Cb 0.00 -0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 29.78 1whk n HIS 14 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1whk s GLU 15 N -1.41 0.10 -1.81 1.57 2.12 -1.26 -4.54 118.70 113.46 1whk s GLU 15 Ca -0.03 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1whk s GLU 15 Cb 0.00 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1whk s GLU 15 CO 0.04 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1whk n GLY 16 N 0.41 -0.23 4.00 -1.50 0.00 -0.18 -4.98 105.19 102.71 1whk n GLY 16 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1whk n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk s SER 17 N -2.13 5.79 0.07 1.61 0.01 -1.25 -4.83 113.70 112.97 1whk s SER 17 Ca 0.00 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1whk s SER 17 Cb 0.00 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1whk s SER 17 CO 0.00 -0.63 -0.01 -1.10 0.41 0.00 0.00 173.24 171.91 1whk s GLN 18 N -4.28 2.56 0.31 12.44 -1.52 -1.26 -0.31 119.66 127.59 1whk s GLN 18 Ca 0.51 -0.81 -0.09 0.00 -1.95 0.00 0.00 55.36 53.02 1whk s GLN 18 Cb -0.10 -2.54 0.01 0.00 -0.22 0.00 0.00 33.01 30.16 1whk s GLN 18 CO 0.32 0.55 0.53 0.14 -0.25 0.00 0.00 175.29 176.59 1whk s VAL 19 N -1.25 0.00 -0.03 1.09 -7.23 -0.86 -4.81 120.40 107.31 1whk s VAL 19 Ca 0.24 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1whk s VAL 19 Cb -0.12 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1whk s VAL 19 CO 0.16 0.00 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.72 1whk s LEU 20 N -3.12 1.35 0.40 1.32 2.96 -1.08 -1.82 118.68 118.69 1whk s LEU 20 Ca 0.25 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.87 1whk s LEU 20 Cb -0.01 -0.23 -0.09 0.00 0.50 0.00 0.00 46.19 46.36 1whk s LEU 20 CO 0.14 -0.07 1.09 -0.76 -1.32 0.00 0.00 176.35 175.44 1whk s LEU 21 N 0.79 4.16 -0.45 -0.68 1.43 -1.07 0.11 118.68 122.98 1whk s LEU 21 Ca -0.08 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1whk s LEU 21 Cb -0.11 -4.12 0.60 0.00 0.03 0.00 0.00 46.19 42.58 1whk s LEU 21 CO -0.01 -0.57 1.89 1.07 0.23 0.00 0.00 176.35 178.95 1whk n THR 22 N -0.02 3.13 0.00 5.49 5.66 -1.20 -2.68 114.28 124.67 1whk n THR 22 Ca 0.05 -1.94 0.00 0.00 -3.05 0.00 0.00 64.05 59.11 1whk n THR 22 Cb 0.48 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1whk n SER 23 N -1.00 0.62 -0.05 1.09 7.64 -1.26 -4.88 113.62 115.78 1whk n SER 23 Ca 0.57 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.48 1whk n SER 23 Cb 1.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 24 N -2.41 0.52 -2.58 6.43 7.64 -1.26 -5.00 113.62 116.96 1whk n SER 24 Ca 0.00 -0.76 -0.19 0.00 1.01 0.00 0.00 58.87 58.93 1whk n SER 24 Cb 0.21 0.85 0.03 0.00 -1.01 0.00 0.00 64.21 64.29 1whk n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1whk n ASN 25 N -0.92 -5.46 -4.58 6.43 5.03 -1.09 -4.99 115.26 109.68 1whk n ASN 25 Ca 0.02 -0.24 -0.34 0.00 0.87 0.00 0.00 54.58 54.89 1whk n ASN 25 Cb 0.12 -4.30 -0.11 0.00 -1.02 0.00 0.00 39.78 34.47 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1whk s GLU 26 N -5.50 3.71 0.51 3.52 2.02 -1.26 -4.85 118.70 116.84 1whk s GLU 26 Ca 0.25 -0.44 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 1whk s GLU 26 Cb -0.11 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.03 1whk s GLU 26 CO 0.31 0.32 1.09 -1.64 0.02 0.00 0.00 175.26 175.36 1whk s MET 27 N 0.20 3.59 -0.01 1.61 -1.94 -1.26 -2.58 119.30 118.90 1whk s MET 27 Ca 0.01 1.53 -0.14 0.00 -1.71 0.00 0.00 55.69 55.38 1whk s MET 27 Cb -0.13 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.63 1whk s MET 27 CO 0.02 -0.64 0.28 0.00 -0.01 0.00 0.00 175.02 174.67 1whk s ALA 28 N -1.82 -0.72 -0.14 3.03 0.00 -0.75 -4.92 121.76 116.43 1whk s ALA 28 Ca 0.69 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 1whk s ALA 28 Cb -0.21 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1whk s ALA 28 CO 0.25 -0.25 0.24 0.99 0.00 0.00 0.00 175.76 176.99 1whk s THR 29 N -1.33 5.34 -0.33 0.00 2.01 -1.07 -2.02 115.64 118.23 1whk s THR 29 Ca -0.14 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1whk s THR 29 Cb -0.06 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1whk s THR 29 CO 0.04 0.47 1.19 -0.69 -0.69 0.00 0.00 174.62 174.93 1whk s VAL 30 N -0.02 4.30 -0.22 3.82 1.01 0.57 -1.66 120.40 128.21 1whk s VAL 30 Ca 0.15 1.47 0.10 0.00 0.00 0.00 0.00 61.98 63.70 1whk s VAL 30 Cb -0.13 -4.31 -0.21 0.00 0.00 0.00 0.00 36.38 31.73 1whk s VAL 30 CO 0.04 -0.53 -0.02 0.54 0.00 0.00 0.00 175.10 175.12 1whk n ARG 31 N 7.18 0.67 -3.85 2.72 5.12 0.26 -1.01 116.66 127.76 1whk n ARG 31 Ca 0.13 0.09 -0.12 0.00 -1.93 0.00 0.00 57.85 56.02 1whk n ARG 31 Cb 0.47 -1.54 -0.12 0.00 -1.16 0.00 0.00 32.46 30.11 1whk n ARG 31 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1whk s TYR 32 N -2.51 -0.06 -0.15 -1.55 5.04 -1.13 -4.75 117.35 112.23 1whk s TYR 32 Ca -0.21 0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.55 1whk s TYR 32 Cb 0.07 0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.43 1whk s TYR 32 CO 0.73 -0.13 -0.00 0.08 -1.34 0.00 0.00 175.55 174.89 1whk s VAL 33 N -0.39 0.65 -3.45 3.14 1.01 -1.26 0.86 120.40 120.95 1whk s VAL 33 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1whk s VAL 33 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1whk s VAL 33 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1whk n GLY 34 N 5.03 -1.29 3.59 4.51 0.00 -1.09 -5.05 105.19 110.89 1whk n GLY 34 Ca -0.09 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1whk n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 35 N -1.38 -1.54 0.36 1.61 0.04 -1.23 -1.77 135.00 131.09 1whk s PRO 35 Ca 0.00 -0.23 0.04 0.00 0.04 0.00 0.00 61.00 60.85 1whk s PRO 35 Cb 0.00 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.95 1whk s PRO 35 CO 0.00 -3.89 0.15 0.25 0.04 0.00 0.00 177.00 173.55 1whk n THR 36 N -4.85 0.00 -0.05 1.26 -2.24 -1.26 -4.78 114.28 102.36 1whk n THR 36 Ca 0.15 -2.14 -0.05 0.00 -2.27 0.00 0.00 64.05 59.75 1whk n THR 36 Cb 0.60 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 1whk n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1whk n ASP 37 N -1.61 2.71 0.06 3.42 9.92 -1.26 -3.17 116.55 126.61 1whk n ASP 37 Ca -0.04 -0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.09 1whk n ASP 37 Cb 0.55 0.70 -0.14 0.00 -0.64 0.00 0.00 41.12 41.60 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1whk h PHE 38 N 0.00 0.27 0.00 1.24 -5.15 -1.98 -3.40 116.94 107.93 1whk h PHE 38 Ca -0.25 -0.20 -0.09 0.00 -0.20 0.00 0.00 57.97 57.22 1whk h PHE 38 Cb 1.57 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 37.71 1whk h PHE 38 CO 0.00 1.20 -1.35 0.00 -2.00 0.00 0.00 178.31 176.16 1whk n ALA 39 N -2.54 1.87 -2.38 12.09 0.00 -1.26 -5.12 120.51 123.17 1whk n ALA 39 Ca -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1whk n ALA 39 Cb 1.01 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.75 1whk n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whk n SER 40 N -2.58 -5.38 0.00 0.00 2.88 -1.19 -4.94 113.62 102.41 1whk n SER 40 Ca -0.10 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1whk n SER 40 Cb 0.63 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1whk n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 41 N 1.68 -0.63 2.61 0.46 0.00 -1.26 -4.81 105.19 103.24 1whk n GLY 41 Ca -0.18 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1whk n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whk s ILE 42 N 0.00 0.26 0.47 -0.61 -1.09 -1.26 -3.50 121.20 115.47 1whk s ILE 42 Ca 0.00 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.52 1whk s ILE 42 Cb 0.00 -1.18 -0.01 0.00 -1.58 0.00 0.00 42.46 39.69 1whk s ILE 42 CO 0.00 -0.67 0.10 0.26 -1.23 0.00 0.00 174.94 173.40 1whk s TRP 43 N 1.94 1.76 -0.07 3.97 0.52 -0.73 -4.41 118.94 121.92 1whk s TRP 43 Ca 0.08 -1.24 -0.03 0.00 0.02 0.00 0.00 56.10 54.94 1whk s TRP 43 Cb -0.16 -1.30 0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1whk s TRP 43 CO -0.31 -0.17 0.15 -0.51 0.02 0.00 0.00 176.95 176.13 1whk s LEU 44 N -3.74 0.50 -0.94 2.99 1.43 -0.37 -2.66 118.68 115.89 1whk s LEU 44 Ca 0.14 0.30 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 1whk s LEU 44 Cb 0.01 0.33 0.03 0.00 0.03 0.00 0.00 46.19 46.58 1whk s LEU 44 CO 0.10 -0.18 1.51 -0.83 0.23 0.00 0.00 176.35 177.18 1whk s GLY 45 N 1.50 1.00 0.66 -3.19 0.00 0.25 -3.76 107.32 103.78 1whk s GLY 45 Ca -0.06 -1.95 -0.10 0.00 0.00 0.00 0.00 44.72 42.61 1whk s GLY 45 CO -0.06 2.83 1.04 1.08 0.00 0.00 0.00 173.10 177.99 1whk s LEU 46 N 6.01 3.04 -0.18 0.66 1.43 -1.06 0.92 118.68 129.51 1whk s LEU 46 Ca 0.49 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.51 1whk s LEU 46 Cb -0.03 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.34 1whk s LEU 46 CO -0.04 -1.20 0.47 -0.70 0.23 0.00 0.00 176.35 175.11 1whk s GLU 47 N -5.24 0.52 0.45 1.70 -6.30 -0.66 -3.64 118.70 105.53 1whk s GLU 47 Ca 0.56 0.71 0.04 0.00 -2.50 0.00 0.00 54.97 53.79 1whk s GLU 47 Cb -0.11 0.20 -0.05 0.00 0.00 0.00 0.00 34.13 34.17 1whk s GLU 47 CO 0.50 -0.09 0.01 -0.51 0.02 0.00 0.00 175.26 175.20 1whk s LEU 48 N 0.55 2.60 -0.38 2.70 1.43 -1.04 -2.59 118.68 121.96 1whk s LEU 48 Ca -0.02 -1.49 0.06 0.00 -1.03 0.00 0.00 54.13 51.64 1whk s LEU 48 Cb -0.04 -0.80 0.48 0.00 0.03 0.00 0.00 46.19 45.86 1whk s LEU 48 CO -0.03 -0.63 1.48 0.54 0.23 0.00 0.00 176.35 177.94 1whk n ARG 49 N -1.08 2.73 -3.80 1.70 1.74 -1.26 -4.78 116.66 111.92 1whk n ARG 49 Ca -0.11 -3.61 -0.01 0.00 -0.77 0.00 0.00 57.85 53.35 1whk n ARG 49 Cb 0.67 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1whk s SER 50 N -2.82 -0.06 -1.47 0.55 0.15 -1.26 -5.05 113.70 103.75 1whk s SER 50 Ca 0.52 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 1whk s SER 50 Cb 0.43 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 65.12 1whk s SER 50 CO 0.01 -0.71 2.35 0.00 1.20 0.00 0.00 173.24 176.09 1whk n ALA 51 N -0.61 5.84 -2.18 5.45 0.00 -1.26 -4.26 120.51 123.50 1whk n ALA 51 Ca -0.04 -3.79 -0.00 0.00 0.00 0.00 0.00 53.44 49.61 1whk n ALA 51 Cb 0.60 -3.51 0.09 0.00 0.00 0.00 0.00 19.45 16.63 1whk n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whk n LYS 52 N 5.66 1.40 -0.28 0.00 4.76 -1.04 -4.97 118.16 123.69 1whk n LYS 52 Ca 0.57 -3.04 0.00 0.00 -2.87 0.00 0.00 58.31 52.97 1whk n LYS 52 Cb 0.36 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whk n GLY 53 N -0.42 5.17 2.74 0.72 0.00 -0.82 -4.91 105.19 107.67 1whk n GLY 53 Ca 0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 1whk n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whk n LYS 54 N 0.00 1.45 -3.64 1.61 5.02 -0.67 -4.53 118.16 117.40 1whk n LYS 54 Ca 0.00 -2.38 -0.14 0.00 -2.02 0.00 0.00 58.31 53.76 1whk n LYS 54 Cb 0.00 -0.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.35 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whk s ASN 55 N -2.37 -0.66 -0.37 4.39 0.01 -1.04 -4.87 114.94 110.04 1whk s ASN 55 Ca 0.19 1.21 0.07 0.00 -0.71 0.00 0.00 52.86 53.62 1whk s ASN 55 Cb 0.40 1.21 0.69 0.00 0.41 0.00 0.00 41.25 43.96 1whk s ASN 55 CO -0.07 -0.27 1.83 -0.67 -1.51 0.00 0.00 177.10 176.40 1whk n ASP 56 N 2.49 4.32 0.00 -1.22 2.03 -1.26 -2.63 116.55 120.28 1whk n ASP 56 Ca -0.15 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1whk n ASP 56 Cb 0.56 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whk n GLY 57 N -0.54 2.44 3.71 0.27 0.00 -1.26 -4.27 105.19 105.54 1whk n GLY 57 Ca 0.48 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1whk n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whk s ALA 58 N -0.55 3.42 -0.15 4.61 0.00 -1.26 -2.60 121.76 125.23 1whk s ALA 58 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1whk s ALA 58 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1whk s ALA 58 CO 0.00 0.50 -0.09 0.08 0.00 0.00 0.00 175.76 176.25 1whk s VAL 59 N -0.62 1.30 0.00 0.00 1.01 0.28 -4.94 120.40 117.43 1whk s VAL 59 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1whk s VAL 59 Cb -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1whk s VAL 59 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1whk n GLY 60 N 4.83 2.86 1.23 4.51 0.00 -1.26 -1.86 105.19 115.51 1whk n GLY 60 Ca -0.14 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1whk n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whk n ASP 61 N 9.96 3.30 -3.44 1.61 2.03 -1.26 -4.99 116.55 123.76 1whk n ASP 61 Ca 0.00 -3.44 -0.13 0.00 0.52 0.00 0.00 54.79 51.73 1whk n ASP 61 Cb 0.00 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1whk s LYS 62 N -3.08 1.23 0.04 -0.67 2.36 -0.78 -5.16 119.74 113.68 1whk s LYS 62 Ca 0.46 -0.31 0.06 0.00 -2.55 0.00 0.00 55.97 53.63 1whk s LYS 62 Cb 0.39 0.57 -0.02 0.00 -1.05 0.00 0.00 37.83 37.72 1whk s LYS 62 CO 0.05 -0.51 -0.18 -0.98 1.55 0.00 0.00 175.35 175.28 1whk s ARG 63 N -3.20 1.21 -0.01 4.03 1.70 -1.26 0.10 118.95 121.52 1whk s ARG 63 Ca -0.02 -0.86 0.08 0.00 -0.47 0.00 0.00 55.73 54.47 1whk s ARG 63 Cb -0.01 -1.28 -0.12 0.00 -0.57 0.00 0.00 34.95 32.98 1whk s ARG 63 CO -0.08 0.32 0.25 0.66 -1.08 0.00 0.00 175.30 175.37 1whk n TYR 64 N 1.90 0.00 -3.71 5.89 4.02 -1.07 -4.95 117.16 119.23 1whk n TYR 64 Ca -0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 1whk n TYR 64 Cb 0.54 -0.12 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whk s PHE 65 N -2.29 -0.27 -0.16 -0.72 -0.71 -1.14 -4.00 117.98 108.69 1whk s PHE 65 Ca -0.01 -0.08 -0.00 0.00 -1.04 0.00 0.00 56.93 55.80 1whk s PHE 65 Cb 0.06 0.65 -0.00 0.00 -1.21 0.00 0.00 43.02 42.51 1whk s PHE 65 CO 0.35 -1.02 -0.14 0.99 -1.34 0.00 0.00 175.22 174.06 1whk s THR 66 N -3.70 2.80 0.13 -4.49 2.01 -1.26 -4.02 115.64 107.12 1whk s THR 66 Ca 0.08 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 1whk s THR 66 Cb -0.04 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1whk s THR 66 CO 0.00 0.51 0.45 0.00 -0.69 0.00 0.00 174.62 174.89 1whk s LYS 68 N -2.03 2.36 -0.08 0.00 1.02 -1.26 -4.45 119.74 115.30 1whk s LYS 68 Ca 0.10 -0.58 -0.33 0.00 0.02 0.00 0.00 55.97 55.17 1whk s LYS 68 Cb -0.02 -2.35 -0.11 0.00 -0.52 0.00 0.00 37.83 34.83 1whk s LYS 68 CO 0.04 -0.96 1.91 -2.30 -0.92 0.00 0.00 175.35 173.12 1whk n PRO 69 N -2.60 2.28 -3.10 -1.68 -0.02 -1.26 -2.20 135.00 126.41 1whk n PRO 69 Ca 0.08 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1whk n PRO 69 Cb 0.60 -2.71 0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1whk n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1whk n ASN 70 N 6.95 -2.73 -0.01 2.55 3.02 -1.12 -4.86 115.26 119.07 1whk n ASN 70 Ca 0.23 -0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 1whk n ASN 70 Cb 0.31 -4.24 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1whk n TYR 71 N -3.40 0.00 -3.24 3.10 4.02 -0.94 -1.94 117.16 114.76 1whk n TYR 71 Ca -0.20 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.50 1whk n TYR 71 Cb 0.63 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.89 1whk n TYR 71 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1whk s GLY 72 N -4.31 2.02 0.06 2.72 0.00 -1.18 -2.48 107.32 104.15 1whk s GLY 72 Ca -0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 1whk s GLY 72 CO 0.03 -1.57 0.08 -1.34 0.00 0.00 0.00 173.10 170.30 1whk s VAL 73 N -2.40 0.17 -0.18 1.40 -7.23 -1.24 -1.68 120.40 109.24 1whk s VAL 73 Ca 0.52 -1.37 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1whk s VAL 73 Cb -0.07 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1whk s VAL 73 CO 0.31 -0.76 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.51 1whk s LEU 74 N -2.61 2.84 0.13 1.32 1.43 -1.26 -2.57 118.68 117.95 1whk s LEU 74 Ca 0.02 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1whk s LEU 74 Cb 0.04 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1whk s LEU 74 CO -0.08 0.06 0.31 0.68 0.23 0.00 0.00 176.35 177.54 1whk s VAL 75 N 1.02 0.09 0.28 -1.59 -7.23 -1.25 -4.99 120.40 106.72 1whk s VAL 75 Ca -0.00 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1whk s VAL 75 Cb -0.15 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1whk s VAL 75 CO -0.01 -0.41 0.44 -0.13 -0.31 0.00 0.00 175.10 174.69 1whk s ARG 76 N -3.87 3.47 0.18 4.82 0.52 -1.26 -1.23 118.95 121.57 1whk s ARG 76 Ca 0.08 -0.54 -0.24 0.00 -0.52 0.00 0.00 55.73 54.51 1whk s ARG 76 Cb 0.03 -2.79 0.07 0.00 0.52 0.00 0.00 34.95 32.78 1whk s ARG 76 CO -0.08 0.31 1.57 -1.35 0.02 0.00 0.00 175.30 175.78 1whk h PRO 77 N 1.11 -0.18 -0.14 3.54 0.11 -1.87 1.56 132.00 136.13 1whk h PRO 77 Ca -0.51 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1whk h PRO 77 Cb 1.22 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1whk h PRO 77 CO 0.62 -0.12 0.24 0.77 -0.21 0.00 0.00 178.00 179.30 1whk h SER 78 N -0.18 0.00 0.53 -2.05 0.02 -1.95 0.96 113.55 110.87 1whk h SER 78 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1whk h SER 78 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1whk h SER 78 CO -0.72 0.00 -0.49 0.54 -1.14 0.00 0.00 176.83 175.02 1whk n ARG 79 N -3.42 0.01 -5.15 3.45 1.74 0.51 -4.85 116.66 108.94 1whk n ARG 79 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1whk n ARG 79 Cb 0.34 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 1whk n ARG 79 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1whk s VAL 80 N -3.00 1.85 0.35 1.55 -7.23 0.33 -3.25 120.40 111.00 1whk s VAL 80 Ca 0.11 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 1whk s VAL 80 Cb 0.17 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1whk s VAL 80 CO 0.69 0.52 0.79 -0.89 -0.31 0.00 0.00 175.10 175.90 1whk s THR 81 N -0.37 4.61 -0.30 5.32 2.01 0.12 -4.79 115.64 122.23 1whk s THR 81 Ca 0.04 1.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 1whk s THR 81 Cb -0.11 -3.61 0.18 0.00 0.01 0.00 0.00 72.50 68.97 1whk s THR 81 CO 0.01 -0.23 1.11 -0.47 -0.69 0.00 0.00 174.62 174.35 1whk s TYR 82 N -2.04 -0.43 -0.41 4.92 5.04 -1.26 -2.64 117.35 120.52 1whk s TYR 82 Ca 0.56 0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 55.87 1whk s TYR 82 Cb -0.10 0.26 0.09 0.00 0.35 0.00 0.00 41.96 42.56 1whk s TYR 82 CO 0.17 -0.21 0.24 1.03 -1.34 0.00 0.00 175.55 175.43 1whk s ARG 83 N 2.21 2.46 -0.41 4.97 3.00 -1.26 -4.92 118.95 125.00 1whk s ARG 83 Ca -0.02 -1.55 0.04 0.00 0.00 0.00 0.00 55.73 54.20 1whk s ARG 83 Cb -0.04 -3.71 0.30 0.00 0.00 0.00 0.00 34.95 31.50 1whk s ARG 83 CO -0.17 -0.98 1.17 0.41 0.00 0.00 0.00 175.30 175.73 1whk n GLY 84 N 4.83 -0.54 0.09 -3.53 0.00 -1.26 -4.79 105.19 99.98 1whk n GLY 84 Ca -0.08 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1whk n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whk n ILE 85 N 0.90 1.18 0.00 -0.61 -5.35 -1.26 -4.83 119.36 109.39 1whk n ILE 85 Ca 0.03 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 1whk n ILE 85 Cb 0.70 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 1whk n ILE 85 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1whk n SER 86 N -2.65 0.00 -3.87 7.28 2.88 -1.26 -5.02 113.62 110.98 1whk n SER 86 Ca -0.28 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 56.95 1whk n SER 86 Cb 1.06 -0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 64.27 1whk n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 87 N -2.26 1.40 0.57 0.46 0.00 -1.26 -4.98 107.32 101.24 1whk s GLY 87 Ca 0.00 -1.86 0.30 0.00 0.00 0.00 0.00 44.72 43.16 1whk s GLY 87 CO 0.00 1.23 1.84 -2.55 0.00 0.00 0.00 173.10 173.62 1whk h PRO 88 N 7.90 0.00 0.00 2.90 0.11 -1.88 -2.87 132.00 138.17 1whk h PRO 88 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1whk h PRO 88 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1whk h PRO 88 CO 0.47 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 179.03 1whk h SER 89 N 0.00 -0.00 -3.61 -2.05 0.02 -1.94 -3.44 113.55 102.53 1whk h SER 89 Ca 0.34 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.60 1whk h SER 89 Cb 1.59 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.81 1whk h SER 89 CO -0.00 0.01 -0.61 -0.44 -1.14 0.00 0.00 176.83 174.64 1whk s SER 90 N -2.92 5.15 0.00 3.07 0.01 -1.09 -5.22 113.70 112.71 1whk s SER 90 Ca -0.00 -1.61 0.07 0.00 1.31 0.00 0.00 55.95 55.71 1whk s SER 90 Cb 0.00 -1.80 0.05 0.00 0.21 0.00 0.00 66.02 64.48 1whk s SER 90 CO 0.00 -0.41 0.71 0.61 0.41 0.00 0.00 173.24 174.56