#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk s SER 2 N 0.00 3.88 0.13 1.61 0.01 -1.26 -4.82 113.70 113.26 1whk s SER 2 Ca 0.00 -3.32 0.00 0.00 1.31 0.00 0.00 55.95 53.94 1whk s SER 2 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1whk s SER 2 CO 0.00 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.25 1whk n SER 3 N 2.65 -0.95 0.00 2.44 2.88 -1.26 -5.12 113.62 114.26 1whk n SER 3 Ca 0.17 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1whk n SER 3 Cb 0.37 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1whk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 4 N -0.61 2.90 3.94 0.46 0.00 -1.26 -4.73 105.19 105.88 1whk n GLY 4 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.00 5.18 -0.37 1.61 1.04 -1.26 -5.09 113.70 110.82 1whk s SER 5 Ca 0.00 0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.89 1whk s SER 5 Cb 0.00 -1.26 0.18 0.00 0.10 0.00 0.00 66.02 65.04 1whk s SER 5 CO 0.00 -1.31 0.75 -0.94 0.98 0.00 0.00 173.24 172.72 1whk s SER 6 N -4.42 -1.19 0.00 7.02 1.04 -1.26 -5.16 113.70 109.73 1whk s SER 6 Ca 0.57 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1whk s SER 6 Cb -0.11 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1whk s SER 6 CO 0.43 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1whk n GLY 7 N 4.38 3.63 2.98 7.32 0.00 -1.26 -5.17 105.19 117.07 1whk n GLY 7 Ca 0.09 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 1whk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1whk s GLU 8 N -1.27 1.38 0.00 1.61 2.56 -1.26 -4.95 118.70 116.76 1whk s GLU 8 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.97 54.67 1whk s GLU 8 Cb 0.00 -1.19 0.00 0.00 2.00 0.00 0.00 34.13 34.94 1whk s GLU 8 CO 0.00 -0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 1whk n GLY 9 N 3.89 0.00 3.93 -1.50 0.00 -1.26 -5.17 105.19 105.08 1whk n GLY 9 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1whk n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whk s THR 10 N 0.00 2.06 0.33 2.61 -4.23 -1.26 -5.03 115.64 110.12 1whk s THR 10 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1whk s THR 10 Cb 0.00 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1whk s THR 10 CO 0.00 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.60 1whk n VAL 11 N -3.41 0.00 -2.44 2.29 0.31 -1.26 -4.67 118.33 109.14 1whk n VAL 11 Ca 0.12 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 1whk n VAL 11 Cb 0.60 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1whk n VAL 11 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1whk n LYS 12 N -3.32 -1.91 -4.67 5.55 4.01 -1.26 -5.00 118.16 111.55 1whk n LYS 12 Ca 0.00 0.75 -0.24 0.00 -0.51 0.00 0.00 58.31 58.31 1whk n LYS 12 Cb 0.00 -5.13 -0.16 0.00 -0.51 0.00 0.00 35.03 29.23 1whk n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1whk s LEU 13 N -4.71 1.88 -0.34 -0.35 1.43 -1.26 -5.04 118.68 110.29 1whk s LEU 13 Ca 0.06 -0.29 0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1whk s LEU 13 Cb -0.03 -0.81 0.46 0.00 0.03 0.00 0.00 46.19 45.84 1whk s LEU 13 CO 0.08 0.13 1.04 1.57 0.23 0.00 0.00 176.35 179.39 1whk n HIS 14 N 3.14 1.95 -2.22 0.29 -0.00 -1.26 -4.97 115.22 112.15 1whk n HIS 14 Ca -0.18 -2.73 0.00 0.00 0.46 0.00 0.00 57.72 55.27 1whk n HIS 14 Cb 0.54 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 1whk n HIS 14 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1whk n GLU 15 N -0.32 -5.26 0.00 1.57 4.71 -1.26 -4.95 120.64 115.13 1whk n GLU 15 Ca 0.20 3.79 0.00 0.00 -0.01 0.00 0.00 57.16 61.14 1whk n GLU 15 Cb 0.79 -4.48 0.00 0.00 -1.01 0.00 0.00 31.44 26.74 1whk n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1whk n GLY 16 N 1.83 1.01 3.23 0.62 0.00 -0.19 -5.00 105.19 106.69 1whk n GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.48 -0.11 1.61 0.01 -1.26 -4.97 113.70 107.46 1whk s SER 17 Ca 0.00 -1.37 -0.04 0.00 1.31 0.00 0.00 55.95 55.86 1whk s SER 17 Cb 0.00 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 1whk s SER 17 CO 0.00 -0.79 0.02 -1.10 0.41 0.00 0.00 173.24 171.78 1whk s GLN 18 N -4.11 3.26 0.00 12.44 -1.52 -1.26 -1.47 119.66 127.00 1whk s GLN 18 Ca 0.37 -0.37 -0.06 0.00 -1.95 0.00 0.00 55.36 53.35 1whk s GLN 18 Cb 0.07 -2.92 -0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1whk s GLN 18 CO 0.11 0.60 0.11 0.14 -0.25 0.00 0.00 175.29 176.01 1whk s VAL 19 N -0.59 0.08 0.00 1.09 -7.23 -0.66 -4.71 120.40 108.38 1whk s VAL 19 Ca 0.10 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 1whk s VAL 19 Cb -0.12 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 1whk s VAL 19 CO 0.02 -0.37 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.05 1whk s LEU 20 N -1.29 2.59 0.34 1.32 2.96 0.12 0.52 118.68 125.25 1whk s LEU 20 Ca -0.14 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 1whk s LEU 20 Cb -0.07 -1.52 -0.10 0.00 0.50 0.00 0.00 46.19 45.00 1whk s LEU 20 CO 0.01 0.29 0.88 -0.76 -1.32 0.00 0.00 176.35 175.46 1whk s LEU 21 N -1.10 4.18 0.22 -0.68 1.43 -0.68 -1.07 118.68 120.98 1whk s LEU 21 Ca 0.13 1.65 0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1whk s LEU 21 Cb -0.10 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.01 1whk s LEU 21 CO 0.03 -0.16 1.24 0.71 0.23 0.00 0.00 176.35 178.39 1whk h THR 22 N 2.32 0.62 0.00 5.49 1.35 -1.91 -2.91 112.91 117.87 1whk h THR 22 Ca -0.48 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1whk h THR 22 Cb 1.19 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1whk h THR 22 CO 0.64 0.35 0.00 -1.20 -0.25 0.00 0.00 175.52 175.06 1whk n SER 23 N -3.07 0.00 0.23 5.36 7.64 -1.26 -4.49 113.62 118.03 1whk n SER 23 Ca -0.02 0.11 0.15 0.00 1.01 0.00 0.00 58.87 60.13 1whk n SER 23 Cb 0.74 -0.32 0.81 0.00 -1.01 0.00 0.00 64.21 64.44 1whk n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1whk h SER 24 N 0.00 0.00 -4.41 6.43 0.02 -1.99 -3.45 113.55 110.15 1whk h SER 24 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1whk h SER 24 Cb 0.00 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.63 1whk h SER 24 CO 0.00 0.00 -0.52 -3.20 -1.14 0.00 0.00 176.83 171.97 1whk n ASN 25 N -3.98 -5.43 -4.25 3.07 5.15 -1.10 -5.01 115.26 103.71 1whk n ASN 25 Ca 0.00 -0.35 -0.27 0.00 -0.60 0.00 0.00 54.58 53.36 1whk n ASN 25 Cb 0.24 -4.13 -0.15 0.00 -0.53 0.00 0.00 39.78 35.21 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1whk s GLU 26 N -5.82 1.54 0.46 1.20 0.41 -1.26 -4.83 118.70 110.39 1whk s GLU 26 Ca 0.38 -0.89 -0.21 0.00 -0.41 0.00 0.00 54.97 53.83 1whk s GLU 26 Cb -0.17 -1.60 -0.09 0.00 -1.78 0.00 0.00 34.13 30.49 1whk s GLU 26 CO 0.47 0.42 1.03 -1.64 -0.49 0.00 0.00 175.26 175.05 1whk s MET 27 N -0.95 3.96 -0.04 1.61 -1.94 -1.26 -1.68 119.30 118.99 1whk s MET 27 Ca 0.08 1.37 -0.12 0.00 -1.71 0.00 0.00 55.69 55.31 1whk s MET 27 Cb -0.09 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.55 1whk s MET 27 CO 0.01 -0.30 0.26 0.00 -0.01 0.00 0.00 175.02 174.99 1whk s ALA 28 N -1.92 -0.66 0.01 3.03 0.00 0.19 -4.86 121.76 117.55 1whk s ALA 28 Ca 0.64 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 1whk s ALA 28 Cb -0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1whk s ALA 28 CO 0.21 -0.21 0.53 0.99 0.00 0.00 0.00 175.76 177.28 1whk s THR 29 N -0.88 4.91 -0.37 0.00 2.01 -1.10 -1.66 115.64 118.56 1whk s THR 29 Ca -0.10 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.72 1whk s THR 29 Cb -0.05 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1whk s THR 29 CO 0.02 0.49 1.07 -0.69 -0.69 0.00 0.00 174.62 174.83 1whk s VAL 30 N -0.61 4.43 -0.12 3.82 1.01 -0.54 -1.22 120.40 127.16 1whk s VAL 30 Ca 0.28 1.50 0.10 0.00 0.00 0.00 0.00 61.98 63.86 1whk s VAL 30 Cb -0.18 -4.46 -0.15 0.00 0.00 0.00 0.00 36.38 31.59 1whk s VAL 30 CO 0.16 -0.65 0.03 0.54 0.00 0.00 0.00 175.10 175.19 1whk n ARG 31 N 7.15 1.94 -3.78 2.72 5.12 -1.00 -1.02 116.66 127.79 1whk n ARG 31 Ca 0.11 -0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 1whk n ARG 31 Cb 0.48 -1.31 -0.12 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.29 -0.26 -0.03 -1.55 5.04 -1.13 -4.86 117.35 112.27 1whk s TYR 32 Ca -0.07 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.21 1whk s TYR 32 Cb 0.04 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.43 1whk s TYR 32 CO 0.49 -0.14 -0.06 0.08 -1.34 0.00 0.00 175.55 174.59 1whk s VAL 33 N 0.31 0.54 0.00 3.14 1.01 -1.26 0.11 120.40 124.25 1whk s VAL 33 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1whk s VAL 33 Cb -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1whk s VAL 33 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1whk n GLY 34 N 3.51 1.41 3.65 4.51 0.00 -0.69 -5.01 105.19 112.56 1whk n GLY 34 Ca -0.20 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.17 -0.26 0.36 1.61 0.04 -1.25 -1.07 135.00 133.26 1whk s PRO 35 Ca 0.00 0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.36 1whk s PRO 35 Cb 0.00 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1whk s PRO 35 CO 0.00 -3.14 -0.00 0.95 0.04 0.00 0.00 177.00 174.85 1whk s THR 36 N -3.00 1.80 0.04 1.26 -4.23 -1.19 -4.80 115.64 105.52 1whk s THR 36 Ca 0.68 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1whk s THR 36 Cb -0.15 -2.82 -0.23 0.00 1.34 0.00 0.00 72.50 70.63 1whk s THR 36 CO 0.57 -0.07 0.98 0.44 -0.54 0.00 0.00 174.62 176.00 1whk h ASP 37 N 1.96 0.10 0.08 3.99 5.19 -1.98 -3.37 116.42 122.39 1whk h ASP 37 Ca -0.42 -0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 55.70 1whk h ASP 37 Cb 1.24 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.72 1whk h ASP 37 CO 0.75 1.12 -0.68 2.19 -3.12 0.00 0.00 179.24 179.49 1whk h PHE 38 N 0.02 0.30 -2.76 4.55 -0.00 -1.97 -3.47 116.94 113.60 1whk h PHE 38 Ca -0.16 -0.22 -0.60 0.00 -0.00 0.00 0.00 57.97 57.00 1whk h PHE 38 Cb 1.91 -0.01 -0.11 0.00 -0.00 0.00 0.00 35.95 37.74 1whk h PHE 38 CO 0.02 1.26 -0.66 0.00 -0.00 0.00 0.00 178.31 178.93 1whk s ALA 39 N -2.36 3.17 -0.04 12.09 0.00 -1.26 -5.13 121.76 128.23 1whk s ALA 39 Ca -0.18 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 1whk s ALA 39 Cb 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1whk s ALA 39 CO 0.75 0.44 0.04 -1.12 0.00 0.00 0.00 175.76 175.87 1whk s SER 40 N -3.07 5.48 0.00 0.00 0.01 -1.26 -3.16 113.70 111.70 1whk s SER 40 Ca 0.28 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1whk s SER 40 Cb -0.09 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1whk s SER 40 CO 0.18 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1whk n GLY 41 N 1.57 0.27 2.83 3.44 0.00 -1.26 -4.97 105.19 107.07 1whk n GLY 41 Ca -0.16 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.17 0.42 -0.00 -0.61 1.01 -1.26 -3.75 121.20 116.83 1whk s ILE 42 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1whk s ILE 42 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1whk s ILE 42 CO 0.00 0.23 -0.12 0.26 0.00 0.00 0.00 174.94 175.31 1whk s TRP 43 N 1.35 1.05 -0.34 3.97 0.52 -0.23 -4.19 118.94 121.07 1whk s TRP 43 Ca -0.04 -0.22 -0.03 0.00 0.02 0.00 0.00 56.10 55.83 1whk s TRP 43 Cb -0.13 -0.67 0.07 0.00 -1.15 0.00 0.00 33.47 31.59 1whk s TRP 43 CO -0.02 -0.01 0.08 -0.51 0.02 0.00 0.00 176.95 176.50 1whk s LEU 44 N -0.41 4.40 -1.01 2.99 1.02 0.23 -1.71 118.68 124.20 1whk s LEU 44 Ca 0.04 -1.51 -0.24 0.00 0.02 0.00 0.00 54.13 52.43 1whk s LEU 44 Cb -0.05 -1.77 -0.16 0.00 0.02 0.00 0.00 46.19 44.23 1whk s LEU 44 CO -0.00 -0.36 1.95 0.61 0.02 0.00 0.00 176.35 178.57 1whk n GLY 45 N 4.63 0.77 3.72 -3.19 0.00 0.29 -3.58 105.19 107.84 1whk n GLY 45 Ca -0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1whk n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whk s LEU 46 N 10.62 2.05 -0.13 0.99 1.43 -0.66 -2.37 118.68 130.60 1whk s LEU 46 Ca 0.71 1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 55.07 1whk s LEU 46 Cb 0.01 -3.67 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1whk s LEU 46 CO 0.17 -2.72 0.27 -0.70 0.23 0.00 0.00 176.35 173.60 1whk s GLU 47 N -5.00 0.16 0.38 1.70 -6.30 -0.36 -2.97 118.70 106.31 1whk s GLU 47 Ca 0.64 0.77 0.02 0.00 -2.50 0.00 0.00 54.97 53.89 1whk s GLU 47 Cb -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 34.13 33.93 1whk s GLU 47 CO 0.56 -0.28 0.56 -0.51 0.02 0.00 0.00 175.26 175.62 1whk s LEU 48 N 2.42 3.89 0.08 2.70 1.43 -1.10 -2.69 118.68 125.41 1whk s LEU 48 Ca 0.01 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1whk s LEU 48 Cb -0.12 -3.11 -0.25 0.00 0.03 0.00 0.00 46.19 42.74 1whk s LEU 48 CO -0.09 -0.46 1.15 -0.09 0.23 0.00 0.00 176.35 177.09 1whk h ARG 49 N 0.68 0.16 -5.81 1.70 9.65 -1.91 -3.43 114.38 115.41 1whk h ARG 49 Ca -0.48 -0.27 -0.59 0.00 -1.10 0.00 0.00 59.98 57.55 1whk h ARG 49 Cb 1.24 0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.83 1whk h ARG 49 CO 0.58 1.10 -0.46 -1.54 2.80 0.00 0.00 179.97 182.45 1whk s SER 50 N -6.92 4.42 -0.49 -3.80 1.04 -1.26 -5.07 113.70 101.62 1whk s SER 50 Ca -0.03 -1.19 -0.28 0.00 0.48 0.00 0.00 55.95 54.93 1whk s SER 50 Cb 0.08 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1whk s SER 50 CO 0.85 -0.69 1.53 0.00 0.98 0.00 0.00 173.24 175.91 1whk s ALA 51 N -2.67 2.81 -0.04 5.32 0.00 -1.26 -4.63 121.76 121.29 1whk s ALA 51 Ca 0.35 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1whk s ALA 51 Cb 0.02 -4.06 0.14 0.00 0.00 0.00 0.00 23.12 19.22 1whk s ALA 51 CO 0.20 -2.84 1.09 1.63 0.00 0.00 0.00 175.76 175.84 1whk n LYS 52 N 8.51 0.20 -2.25 0.00 5.02 -1.05 -4.97 118.16 123.61 1whk n LYS 52 Ca 0.16 -1.29 -0.03 0.00 -2.02 0.00 0.00 58.31 55.14 1whk n LYS 52 Cb 0.49 0.34 -0.01 0.00 -0.02 0.00 0.00 35.03 35.83 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whk n GLY 53 N -0.09 4.01 1.59 0.72 0.00 -1.18 -4.92 105.19 105.32 1whk n GLY 53 Ca -0.19 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.09 0.33 -3.85 1.61 5.02 -1.23 -4.65 118.16 115.30 1whk n LYS 54 Ca -0.00 -2.28 -0.12 0.00 -2.02 0.00 0.00 58.31 53.89 1whk n LYS 54 Cb 0.06 -0.31 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 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 -2.30 -0.03 -0.43 4.39 0.01 -1.25 -4.97 114.94 110.36 1whk s ASN 55 Ca 0.34 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.39 1whk s ASN 55 Cb 0.38 0.23 0.60 0.00 0.41 0.00 0.00 41.25 42.88 1whk s ASN 55 CO -0.15 -0.38 1.86 -0.90 -1.51 0.00 0.00 177.10 176.03 1whk n ASP 56 N 1.45 3.98 -1.39 -1.22 5.68 -1.26 -2.89 116.55 120.90 1whk n ASP 56 Ca -0.22 -3.50 -0.14 0.00 -0.50 0.00 0.00 54.79 50.43 1whk n ASP 56 Cb 0.56 -0.83 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whk n GLY 57 N -1.00 0.41 3.63 6.12 0.00 -1.26 -4.72 105.19 108.37 1whk n GLY 57 Ca 0.55 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.63 -1.82 -0.20 4.61 0.00 -1.26 -3.55 121.76 116.91 1whk s ALA 58 Ca 0.00 2.20 -0.05 0.00 0.00 0.00 0.00 51.96 54.11 1whk s ALA 58 Cb 0.00 -1.29 0.07 0.00 0.00 0.00 0.00 23.12 21.90 1whk s ALA 58 CO 0.00 -0.36 0.10 0.08 0.00 0.00 0.00 175.76 175.58 1whk s VAL 59 N 0.91 -0.09 0.00 0.00 1.01 -1.16 -5.04 120.40 116.04 1whk s VAL 59 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1whk s VAL 59 Cb -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1whk s VAL 59 CO -0.08 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1whk n GLY 60 N 5.27 0.47 2.16 4.51 0.00 -1.26 -3.72 105.19 112.62 1whk n GLY 60 Ca -0.07 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 3.69 3.73 -4.13 1.61 2.03 -1.26 -4.93 116.55 117.29 1whk n ASP 61 Ca 0.00 -3.51 -0.11 0.00 0.52 0.00 0.00 54.79 51.69 1whk n ASP 61 Cb 0.00 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 39.49 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 -3.10 1.28 0.19 -0.67 2.20 -1.24 -5.18 119.74 113.22 1whk s LYS 62 Ca 0.54 -1.49 0.05 0.00 -0.36 0.00 0.00 55.97 54.70 1whk s LYS 62 Cb 0.45 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 37.05 1whk s LYS 62 CO 0.10 -0.46 -0.08 0.50 -0.36 0.00 0.00 175.35 175.06 1whk s ARG 63 N -4.10 1.21 0.14 4.03 6.06 -1.26 -2.98 118.95 122.05 1whk s ARG 63 Ca 0.32 -1.56 0.00 0.00 -2.50 0.00 0.00 55.73 52.00 1whk s ARG 63 Cb 0.05 -0.73 0.00 0.00 0.06 0.00 0.00 34.95 34.33 1whk s ARG 63 CO 0.10 0.04 0.00 0.66 -2.50 0.00 0.00 175.30 173.60 1whk n TYR 64 N -0.31 -1.06 -4.25 5.12 4.01 -1.23 -4.99 117.16 114.45 1whk n TYR 64 Ca -0.08 0.19 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 1whk n TYR 64 Cb 0.62 0.35 -0.10 0.00 -0.31 0.00 0.00 39.34 39.90 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1whk s PHE 65 N -2.00 1.30 -0.13 -0.72 -0.71 -1.24 -4.45 117.98 110.04 1whk s PHE 65 Ca 0.00 -1.22 0.02 0.00 -1.04 0.00 0.00 56.93 54.70 1whk s PHE 65 Cb 0.00 -0.72 0.01 0.00 -1.21 0.00 0.00 43.02 41.10 1whk s PHE 65 CO 0.00 -0.42 -0.20 0.99 -1.34 0.00 0.00 175.22 174.25 1whk s THR 66 N -3.88 1.90 0.21 -4.49 2.01 -1.26 -4.46 115.64 105.66 1whk s THR 66 Ca 0.34 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1whk s THR 66 Cb 0.07 -1.68 0.07 0.00 0.01 0.00 0.00 72.50 70.97 1whk s THR 66 CO 0.10 0.52 0.93 0.00 -0.69 0.00 0.00 174.62 175.48 1whk s LYS 68 N -2.05 1.87 -0.04 0.00 3.01 -1.26 -4.81 119.74 116.46 1whk s LYS 68 Ca 0.20 0.70 -0.34 0.00 -1.01 0.00 0.00 55.97 55.52 1whk s LYS 68 Cb -0.03 -1.89 -0.12 0.00 -1.01 0.00 0.00 37.83 34.78 1whk s LYS 68 CO 0.06 -1.78 1.84 -2.30 0.51 0.00 0.00 175.35 173.68 1whk n PRO 69 N -3.55 2.22 -3.23 -1.68 -0.02 -1.26 -2.45 135.00 125.03 1whk n PRO 69 Ca 0.07 0.81 -0.15 0.00 -2.02 0.00 0.00 63.50 62.21 1whk n PRO 69 Cb 0.56 -2.65 0.07 0.00 -0.02 0.00 0.00 33.50 31.46 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 6.18 -4.99 0.00 2.55 4.13 -1.14 -4.92 115.26 117.06 1whk n ASN 70 Ca 0.22 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.83 1whk n ASN 70 Cb 0.30 -4.96 0.00 0.00 -1.54 0.00 0.00 39.78 33.58 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1whk n TYR 71 N -3.42 0.00 -2.95 3.10 4.02 -1.03 -2.53 117.16 114.35 1whk n TYR 71 Ca -0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.57 1whk n TYR 71 Cb 0.63 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.99 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 -4.36 1.83 0.09 2.72 0.00 -1.26 -2.72 107.32 103.62 1whk s GLY 72 Ca 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.86 1whk s GLY 72 CO 0.00 -1.50 0.04 -1.34 0.00 0.00 0.00 173.10 170.30 1whk s VAL 73 N -2.58 0.15 -0.29 1.40 -7.23 -1.16 -3.57 120.40 107.12 1whk s VAL 73 Ca 0.59 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 1whk s VAL 73 Cb -0.08 -1.75 0.08 0.00 0.56 0.00 0.00 36.38 35.19 1whk s VAL 73 CO 0.37 -0.70 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.68 1whk s LEU 74 N -2.97 3.65 0.41 1.32 1.43 -1.26 -1.65 118.68 119.60 1whk s LEU 74 Ca 0.15 -1.67 0.03 0.00 -1.03 0.00 0.00 54.13 51.61 1whk s LEU 74 Cb 0.07 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1whk s LEU 74 CO -0.04 -0.30 0.09 0.68 0.23 0.00 0.00 176.35 177.01 1whk s VAL 75 N 1.14 0.83 0.15 -1.59 -7.23 -1.24 -4.90 120.40 107.56 1whk s VAL 75 Ca 0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1whk s VAL 75 Cb -0.19 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1whk s VAL 75 CO -0.08 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.68 1whk s ARG 76 N -3.77 2.83 0.20 4.82 0.52 -1.26 0.76 118.95 123.06 1whk s ARG 76 Ca 0.23 -0.86 -0.17 0.00 -0.52 0.00 0.00 55.73 54.41 1whk s ARG 76 Cb 0.03 -2.63 0.18 0.00 0.52 0.00 0.00 34.95 33.05 1whk s ARG 76 CO 0.13 0.50 1.61 -1.35 0.02 0.00 0.00 175.30 176.20 1whk h PRO 77 N 2.65 -0.09 -0.12 3.54 0.11 -1.87 1.46 132.00 137.68 1whk h PRO 77 Ca -0.47 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1whk h PRO 77 Cb 1.19 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1whk h PRO 77 CO 0.63 -0.06 0.23 0.77 -0.21 0.00 0.00 178.00 179.35 1whk h SER 78 N -0.09 0.00 0.36 -2.05 0.02 -1.95 0.87 113.55 110.71 1whk h SER 78 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1whk h SER 78 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1whk h SER 78 CO -0.65 0.00 -0.56 0.54 -1.14 0.00 0.00 176.83 175.02 1whk n ARG 79 N -3.40 0.14 -5.11 3.45 5.12 0.48 -4.86 116.66 112.48 1whk n ARG 79 Ca 0.00 -0.09 -0.30 0.00 -1.93 0.00 0.00 57.85 55.53 1whk n ARG 79 Cb 0.32 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 29.96 1whk n ARG 79 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1whk s VAL 80 N -2.92 1.85 0.05 1.55 -7.23 0.30 -3.30 120.40 110.70 1whk s VAL 80 Ca 0.12 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.42 1whk s VAL 80 Cb 0.17 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1whk s VAL 80 CO 0.70 0.52 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.93 1whk s THR 81 N 0.02 1.55 0.00 5.32 2.01 -0.23 -4.79 115.64 119.53 1whk s THR 81 Ca -0.07 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1whk s THR 81 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1whk s THR 81 CO 0.04 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 1whk n TYR 82 N 1.75 -0.34 -3.62 4.92 4.11 -1.26 0.12 117.16 122.84 1whk n TYR 82 Ca -0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.65 1whk n TYR 82 Cb 0.54 0.35 -0.06 0.00 -0.00 0.00 0.00 39.34 40.16 1whk n TYR 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1whk s ARG 83 N -1.69 0.39 0.00 -3.48 3.52 -1.26 -4.99 118.95 111.44 1whk s ARG 83 Ca 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 1whk s ARG 83 Cb 0.00 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1whk s ARG 83 CO 0.00 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1whk n GLY 84 N 1.27 -2.03 3.52 8.12 0.00 -1.26 -5.09 105.19 109.71 1whk n GLY 84 Ca -0.09 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 1whk n GLY 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1whk s ILE 85 N -1.00 0.00 0.56 -0.61 2.07 -1.26 -5.18 121.20 115.79 1whk s ILE 85 Ca 0.00 -0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1whk s ILE 85 Cb 0.00 -0.88 0.12 0.00 0.13 0.00 0.00 42.46 41.83 1whk s ILE 85 CO 0.00 -0.01 0.77 -0.24 -1.91 0.00 0.00 174.94 173.55 1whk n SER 86 N 2.51 0.50 0.00 4.50 2.88 -1.26 -5.02 113.62 117.73 1whk n SER 86 Ca -0.15 -1.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1whk n SER 86 Cb 0.56 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 87 N -0.40 0.52 3.77 0.46 0.00 -1.26 -5.06 105.19 103.23 1whk n GLY 87 Ca 0.11 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1whk n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 88 N -0.18 4.10 -0.77 1.61 0.04 -1.26 -4.96 135.00 133.58 1whk s PRO 88 Ca 0.00 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 1whk s PRO 88 Cb 0.00 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.84 1whk s PRO 88 CO 0.00 -0.30 1.23 -1.12 0.04 0.00 0.00 177.00 176.85 1whk s SER 89 N -1.02 6.23 0.15 6.66 0.01 -1.26 -5.00 113.70 119.46 1whk s SER 89 Ca 0.56 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 1whk s SER 89 Cb -0.32 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.33 1whk s SER 89 CO 0.41 -1.68 0.35 -0.44 0.41 0.00 0.00 173.24 172.28 1whk s SER 90 N 3.89 6.42 0.00 2.44 0.01 -1.26 -5.26 113.70 119.95 1whk s SER 90 Ca 0.34 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1whk s SER 90 Cb -0.09 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1whk s SER 90 CO 0.10 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.40