#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whg n SER 2 N 0.00 1.89 -3.37 1.61 2.88 -1.26 -5.14 113.62 110.22 1whg n SER 2 Ca 0.00 -1.95 -0.05 0.00 -1.33 0.00 0.00 58.87 55.54 1whg n SER 2 Cb 0.00 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1whg n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whg s SER 3 N -2.61 -0.42 0.00 -3.46 0.15 -1.26 -5.14 113.70 100.96 1whg s SER 3 Ca 0.15 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1whg s SER 3 Cb -0.01 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1whg s SER 3 CO 0.10 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1whg n GLY 4 N 5.39 1.09 2.73 9.45 0.00 -1.26 -5.00 105.19 117.60 1whg n GLY 4 Ca -0.04 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 1whg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 5 N 0.00 1.76 0.34 1.61 0.01 -1.26 -5.12 113.70 111.03 1whg s SER 5 Ca 0.00 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1whg s SER 5 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1whg s SER 5 CO 0.00 -0.36 0.00 -0.24 0.41 0.00 0.00 173.24 173.05 1whg n SER 6 N 4.97 -8.45 0.00 2.44 2.88 -1.26 -5.04 113.62 109.16 1whg n SER 6 Ca 0.02 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1whg n SER 6 Cb 0.45 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1whg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whg n GLY 7 N -4.16 -0.96 3.62 0.46 0.00 -1.26 -4.95 105.19 97.94 1whg n GLY 7 Ca 0.01 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1whg n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whg s ASN 8 N -4.00 6.17 -0.13 1.61 2.20 -1.26 -4.93 114.94 114.60 1whg s ASN 8 Ca 0.00 0.18 0.10 0.00 -0.94 0.00 0.00 52.86 52.20 1whg s ASN 8 Cb 0.00 -2.16 -0.15 0.00 -2.00 0.00 0.00 41.25 36.94 1whg s ASN 8 CO 0.00 -0.07 0.02 -0.62 -2.94 0.00 0.00 177.10 173.48 1whg n GLU 9 N 4.90 1.70 0.04 3.55 4.71 -1.26 -4.17 120.64 130.11 1whg n GLU 9 Ca -0.12 0.01 -0.17 0.00 -0.01 0.00 0.00 57.16 56.87 1whg n GLU 9 Cb 0.51 -1.33 -0.08 0.00 -1.01 0.00 0.00 31.44 29.54 1whg n GLU 9 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1whg h GLU 10 N 0.00 0.63 0.00 3.49 5.08 -2.00 -3.21 114.58 118.57 1whg h GLU 10 Ca -0.35 -0.64 -0.10 0.00 -1.00 0.00 0.00 59.36 57.28 1whg h GLU 10 Cb 1.75 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1whg h GLU 10 CO 0.01 1.24 -0.47 1.25 -1.00 0.00 0.00 179.01 180.04 1whg h LEU 11 N 0.37 0.00 -0.29 1.33 5.85 -1.97 0.63 115.31 121.24 1whg h LEU 11 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1whg h LEU 11 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1whg h LEU 11 CO 0.18 0.47 0.00 0.54 -0.34 0.00 0.00 178.44 179.30 1whg n ARG 12 N -3.82 0.08 0.00 1.25 1.74 -1.21 -2.42 116.66 112.27 1whg n ARG 12 Ca -0.01 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1whg n ARG 12 Cb 0.52 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1whg n ALA 13 N -1.61 2.04 0.24 7.54 0.00 -1.00 -4.35 120.51 123.37 1whg n ALA 13 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1whg n ALA 13 Cb 0.19 0.43 0.56 0.00 0.00 0.00 0.00 19.45 20.63 1whg n ALA 13 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1whg h GLN 14 N 0.00 0.00 -0.69 0.00 5.75 0.19 -2.88 115.11 117.48 1whg h GLN 14 Ca 0.00 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 58.02 1whg h GLN 14 Cb 0.87 0.00 -0.42 0.00 1.07 0.00 0.00 27.48 28.99 1whg h GLN 14 CO 0.00 0.12 -0.89 1.04 -2.65 0.00 0.00 178.83 176.45 1whg n GLN 15 N -4.37 3.18 0.01 1.69 6.02 -1.02 -4.05 117.38 118.84 1whg n GLN 15 Ca -0.03 -4.02 0.00 0.00 -0.01 0.00 0.00 57.00 52.94 1whg n GLN 15 Cb 0.19 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.32 1whg n GLN 15 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1whg n GLU 16 N -0.68 0.00 -0.09 -1.09 1.02 -1.10 -4.70 120.64 114.00 1whg n GLU 16 Ca 0.36 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1whg n GLU 16 Cb 0.93 -0.14 -0.14 0.00 -0.02 0.00 0.00 31.44 32.07 1whg n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1whg n ALA 17 N -2.69 1.55 0.13 0.62 0.00 -1.14 -4.41 120.51 114.57 1whg n ALA 17 Ca 0.00 -1.19 0.11 0.00 0.00 0.00 0.00 53.44 52.36 1whg n ALA 17 Cb 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1whg n ALA 17 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1whg h GLU 18 N 0.00 0.00 -1.29 0.00 4.39 -1.76 -3.35 114.58 112.58 1whg h GLU 18 Ca -0.50 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.72 1whg h GLU 18 Cb 2.11 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 30.55 1whg h GLU 18 CO 0.02 0.00 0.62 0.00 -1.16 0.00 0.00 179.01 178.50 1whg n ALA 19 N -2.17 5.66 -0.25 3.43 0.00 -1.26 -2.28 120.51 123.66 1whg n ALA 19 Ca 0.01 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1whg n ALA 19 Cb 0.55 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1whg n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whg n ALA 20 N -0.22 2.01 -0.05 0.00 0.00 -1.26 -4.83 120.51 116.16 1whg n ALA 20 Ca 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1whg n ALA 20 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1whg n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whg n GLN 21 N -2.16 1.95 -0.16 0.00 0.00 -1.26 -4.25 117.38 111.50 1whg n GLN 21 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 57.00 56.91 1whg n GLN 21 Cb 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 30.24 28.97 1whg n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whg h ARG 22 N 0.00 0.79 0.00 2.61 3.08 -1.88 -2.49 114.38 116.49 1whg h ARG 22 Ca -0.29 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1whg h ARG 22 Cb 1.62 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1whg h ARG 22 CO 0.00 0.83 0.00 -0.11 -1.07 0.00 0.00 179.97 179.63 1whg n LEU 23 N -4.40 0.00 -0.11 3.04 7.94 -0.97 -3.63 117.00 118.87 1whg n LEU 23 Ca 0.00 0.32 0.10 0.00 -1.11 0.00 0.00 56.01 55.32 1whg n LEU 23 Cb 0.28 -0.32 0.45 0.00 0.53 0.00 0.00 43.42 44.36 1whg n LEU 23 CO 0.41 -0.01 1.19 0.77 -1.11 0.00 0.00 177.39 178.64 1whg h SER 24 N 0.00 0.46 -0.15 1.96 4.64 -1.62 0.18 113.55 119.02 1whg h SER 24 Ca 0.00 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 1whg h SER 24 Cb 0.31 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1whg h SER 24 CO 0.00 0.29 -0.76 -0.08 -0.87 0.00 0.00 176.83 175.41 1whg h GLU 25 N 0.52 0.79 -0.24 4.77 4.81 -1.73 -2.61 114.58 120.90 1whg h GLU 25 Ca 0.28 -0.63 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 1whg h GLU 25 Cb 0.43 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1whg h GLU 25 CO -0.09 1.24 -0.43 0.93 -0.73 0.00 0.00 179.01 179.94 1whg h GLU 26 N 0.55 0.58 -0.49 1.92 5.08 -1.48 -2.89 114.58 117.85 1whg h GLU 26 Ca -0.05 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1whg h GLU 26 Cb 1.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1whg h GLU 26 CO 0.16 0.90 0.02 -0.22 -1.00 0.00 0.00 179.01 178.87 1whg h LYS 27 N 0.48 0.85 0.81 2.33 3.64 -0.70 -0.93 116.57 123.05 1whg h LYS 27 Ca 0.04 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1whg h LYS 27 Cb 0.94 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1whg h LYS 27 CO 0.08 0.88 -0.45 0.00 -2.27 0.00 0.00 179.45 177.69 1whg h ALA 28 N 0.94 -1.28 -0.58 5.00 0.00 -1.40 -0.50 119.26 121.43 1whg h ALA 28 Ca 0.14 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1whg h ALA 28 Cb 0.48 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1whg h ALA 28 CO 0.02 -1.22 0.39 -0.56 0.00 0.00 0.00 179.25 177.88 1whg h GLN 29 N -1.16 0.50 0.00 0.00 3.07 -1.55 0.48 115.11 116.44 1whg h GLN 29 Ca -0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.56 1whg h GLN 29 Cb 0.92 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 1whg h GLN 29 CO 0.14 0.33 -0.18 0.00 0.09 0.00 0.00 178.83 179.21 1whg h ALA 30 N 1.69 1.09 -0.84 0.06 0.00 -0.86 -2.76 119.26 117.64 1whg h ALA 30 Ca 0.26 -0.17 -0.45 0.00 0.00 0.00 0.00 54.91 54.55 1whg h ALA 30 Cb 0.35 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.85 1whg h ALA 30 CO -0.07 0.23 0.57 0.43 0.00 0.00 0.00 179.25 180.41 1whg n SER 31 N -3.44 3.99 -1.40 0.00 7.64 0.16 -4.08 113.62 116.48 1whg n SER 31 Ca -0.00 -3.37 0.03 0.00 1.01 0.00 0.00 58.87 56.53 1whg n SER 31 Cb 0.36 -0.81 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whg n ALA 32 N -0.85 2.44 -3.46 -0.43 0.00 -1.04 -4.92 120.51 112.25 1whg n ALA 32 Ca 0.51 -2.15 -0.27 0.00 0.00 0.00 0.00 53.44 51.52 1whg n ALA 32 Cb 1.41 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 20.06 1whg n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1whg s ILE 33 N 0.00 0.59 0.73 0.00 1.01 -1.26 -4.49 121.20 117.77 1whg s ILE 33 Ca 0.30 -2.71 -0.16 0.00 0.00 0.00 0.00 60.65 58.08 1whg s ILE 33 Cb 0.34 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 41.43 1whg s ILE 33 CO -0.15 -1.18 1.26 -0.44 0.00 0.00 0.00 174.94 174.42 1whg s SER 34 N 0.02 4.09 0.54 3.58 0.01 -1.26 -4.95 113.70 115.73 1whg s SER 34 Ca 0.30 2.51 -0.16 0.00 1.31 0.00 0.00 55.95 59.92 1whg s SER 34 Cb -0.00 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1whg s SER 34 CO -0.17 -2.34 1.01 -0.69 0.41 0.00 0.00 173.24 171.45 1whg s VAL 35 N -1.74 4.34 -0.92 3.43 1.01 -1.26 -4.00 120.40 121.25 1whg s VAL 35 Ca 0.78 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.81 1whg s VAL 35 Cb -0.34 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1whg s VAL 35 CO 0.45 -0.66 0.69 0.61 0.00 0.00 0.00 175.10 176.19 1whg n GLY 36 N -1.46 -0.04 3.06 4.51 0.00 -0.27 -4.95 105.19 106.05 1whg n GLY 36 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1whg n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 37 N -3.11 1.06 0.25 1.61 0.01 -1.26 -4.89 113.70 107.37 1whg s SER 37 Ca 0.34 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1whg s SER 37 Cb -0.15 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 65.95 1whg s SER 37 CO 0.42 -0.06 1.12 -0.13 0.41 0.00 0.00 173.24 175.00 1whg s ARG 38 N -1.08 4.61 0.06 12.44 0.52 -1.26 -0.96 118.95 133.27 1whg s ARG 38 Ca -0.03 1.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.88 1whg s ARG 38 Cb -0.07 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.19 1whg s ARG 38 CO 0.01 0.14 0.22 0.00 0.02 0.00 0.00 175.30 175.68 1whg s GLU 40 N -2.99 3.86 -0.06 0.00 2.02 0.21 -1.03 118.70 120.72 1whg s GLU 40 Ca -0.02 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1whg s GLU 40 Cb 0.01 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 1whg s GLU 40 CO -0.06 0.38 0.00 0.08 0.02 0.00 0.00 175.26 175.68 1whg s VAL 41 N 0.08 4.25 -0.23 2.63 1.01 0.32 0.49 120.40 128.95 1whg s VAL 41 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1whg s VAL 41 Cb -0.12 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.52 1whg s VAL 41 CO 0.00 0.54 0.09 -0.60 0.00 0.00 0.00 175.10 175.13 1whg s ARG 42 N -1.08 0.36 0.14 2.72 3.52 -0.91 -2.53 118.95 121.17 1whg s ARG 42 Ca 0.15 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1whg s ARG 42 Cb -0.11 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 1whg s ARG 42 CO 0.05 -0.82 0.20 0.00 -0.81 0.00 0.00 175.30 173.91 1whg s ALA 43 N 1.97 0.25 -0.81 6.12 0.00 -1.26 -4.84 121.76 123.19 1whg s ALA 43 Ca 0.05 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1whg s ALA 43 Cb -0.16 0.80 -0.08 0.00 0.00 0.00 0.00 23.12 23.68 1whg s ALA 43 CO -0.20 -0.58 1.99 -0.35 0.00 0.00 0.00 175.76 176.62 1whg n PRO 44 N -0.15 1.78 0.00 0.00 -0.04 -1.26 -3.87 135.00 131.45 1whg n PRO 44 Ca -0.08 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1whg n PRO 44 Cb 0.63 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1whg n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1whg n ASP 45 N 5.27 2.46 0.06 3.54 8.00 -1.26 -5.07 116.55 129.55 1whg n ASP 45 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1whg n ASP 45 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1whg n HIS 46 N -2.58 -2.44 -3.23 1.24 -0.00 -1.25 -5.18 115.22 101.78 1whg n HIS 46 Ca 0.00 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1whg n HIS 46 Cb 0.45 1.27 0.00 0.00 -0.12 0.00 0.00 29.99 31.59 1whg n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1whg n SER 47 N -2.58 0.00 -4.74 0.26 2.88 -1.26 -5.09 113.62 103.09 1whg n SER 47 Ca 0.00 -0.95 -0.41 0.00 -1.33 0.00 0.00 58.87 56.18 1whg n SER 47 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1whg s LEU 48 N 0.00 4.56 0.08 2.46 1.43 -1.26 -4.62 118.68 121.32 1whg s LEU 48 Ca 0.00 2.00 -0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1whg s LEU 48 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1whg s LEU 48 CO 0.00 -0.04 0.03 -0.13 0.23 0.00 0.00 176.35 176.44 1whg s ARG 49 N -0.72 0.74 -0.03 1.70 1.81 -1.05 -4.98 118.95 116.42 1whg s ARG 49 Ca 0.45 -1.24 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 1whg s ARG 49 Cb -0.27 0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 1whg s ARG 49 CO 0.34 -0.18 -0.16 1.03 -0.68 0.00 0.00 175.30 175.64 1whg s ARG 50 N -3.95 2.39 0.00 3.54 0.52 -1.26 -0.52 118.95 119.67 1whg s ARG 50 Ca 0.12 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1whg s ARG 50 Cb 0.07 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1whg s ARG 50 CO -0.07 0.60 0.00 0.41 0.02 0.00 0.00 175.30 176.27 1whg n GLY 51 N 2.22 5.28 3.26 -3.53 0.00 -0.20 -3.76 105.19 108.46 1whg n GLY 51 Ca -0.17 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1whg n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whg s THR 52 N 1.68 0.03 0.00 2.61 2.01 0.59 -3.08 115.64 119.48 1whg s THR 52 Ca 0.00 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1whg s THR 52 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1whg s THR 52 CO 0.00 -0.12 1.19 -0.69 -0.69 0.00 0.00 174.62 174.31 1whg s VAL 53 N -0.54 4.19 -0.02 3.82 1.01 -0.13 -1.09 120.40 127.63 1whg s VAL 53 Ca -0.07 1.55 -0.00 0.00 0.00 0.00 0.00 61.98 63.46 1whg s VAL 53 Cb -0.04 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1whg s VAL 53 CO 0.03 0.06 -0.02 0.23 0.00 0.00 0.00 175.10 175.40 1whg n MET 54 N 4.52 0.05 -3.89 2.72 2.81 -0.95 -1.11 117.12 121.26 1whg n MET 54 Ca 0.10 0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1whg n MET 54 Cb 0.47 -0.86 -0.12 0.00 -0.71 0.00 0.00 33.22 32.00 1whg n MET 54 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1whg s TYR 55 N -2.04 0.04 -0.19 2.03 6.14 -1.26 -4.89 117.35 117.19 1whg s TYR 55 Ca -0.03 -0.09 -0.04 0.00 0.64 0.00 0.00 57.07 57.55 1whg s TYR 55 Cb 0.01 -0.05 0.09 0.00 0.42 0.00 0.00 41.96 42.42 1whg s TYR 55 CO 0.04 -0.14 0.21 0.08 0.64 0.00 0.00 175.55 176.38 1whg s VAL 56 N -0.74 -0.31 -3.01 3.14 1.01 -1.26 0.23 120.40 119.46 1whg s VAL 56 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1whg s VAL 56 Cb -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1whg s VAL 56 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1whg n GLY 57 N 5.32 -1.89 3.62 4.51 0.00 -0.10 -4.96 105.19 111.69 1whg n GLY 57 Ca -0.06 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1whg n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whg s LEU 58 N 0.00 1.55 0.00 0.99 1.43 -1.26 0.41 118.68 121.80 1whg s LEU 58 Ca 0.00 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1whg s LEU 58 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1whg s LEU 58 CO 0.00 -3.39 0.23 0.35 0.23 0.00 0.00 176.35 173.77 1whg n THR 59 N -4.37 0.00 -0.05 5.49 -2.24 -1.21 -4.76 114.28 107.15 1whg n THR 59 Ca 0.05 -2.22 -0.06 0.00 -2.27 0.00 0.00 64.05 59.56 1whg n THR 59 Cb 0.56 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 1whg n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whg n ASP 60 N -1.74 2.67 -0.08 3.42 -0.08 -1.26 -4.59 116.55 114.89 1whg n ASP 60 Ca 0.04 -0.02 -0.07 0.00 -1.51 0.00 0.00 54.79 53.23 1whg n ASP 60 Cb 0.56 0.53 0.10 0.00 2.34 0.00 0.00 41.12 44.64 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1whg h PHE 61 N 0.00 0.86 -3.93 -0.67 -5.15 -1.97 -3.44 116.94 102.63 1whg h PHE 61 Ca -0.27 -0.19 -0.30 0.00 -0.20 0.00 0.00 57.97 57.01 1whg h PHE 61 Cb 1.57 -0.21 -0.25 0.00 0.22 0.00 0.00 35.95 37.28 1whg h PHE 61 CO 0.00 0.90 -0.75 0.15 -2.00 0.00 0.00 178.31 176.62 1whg s LYS 62 N -4.63 0.48 0.27 6.09 -0.14 -1.26 -5.14 119.74 115.41 1whg s LYS 62 Ca -0.09 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1whg s LYS 62 Cb 0.13 -0.37 -0.09 0.00 -1.68 0.00 0.00 37.83 35.82 1whg s LYS 62 CO 0.83 0.09 1.10 -1.25 -0.76 0.00 0.00 175.35 175.36 1whg s PRO 63 N -0.75 4.64 0.00 -1.68 0.04 -1.26 -4.14 135.00 131.84 1whg s PRO 63 Ca -0.03 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1whg s PRO 63 Cb -0.05 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1whg s PRO 63 CO 0.00 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1whg n GLY 64 N 1.23 0.90 3.85 0.56 0.00 -1.26 -5.00 105.19 105.47 1whg n GLY 64 Ca -0.01 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1whg n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whg s TYR 65 N -1.28 3.46 0.02 1.61 2.02 -1.26 -3.28 117.35 118.64 1whg s TYR 65 Ca 0.00 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1whg s TYR 65 Cb 0.00 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1whg s TYR 65 CO 0.00 -0.35 -0.04 -1.58 -1.57 0.00 0.00 175.55 172.02 1whg s TRP 66 N -2.61 0.34 -0.15 2.71 0.52 0.17 -4.73 118.94 115.18 1whg s TRP 66 Ca 0.58 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.16 1whg s TRP 66 Cb -0.10 -0.23 0.03 0.00 -1.15 0.00 0.00 33.47 32.02 1whg s TRP 66 CO 0.32 -0.18 -0.10 0.08 0.02 0.00 0.00 176.95 177.09 1whg s VAL 67 N -1.54 1.35 0.03 4.03 1.01 -0.41 -0.93 120.40 123.94 1whg s VAL 67 Ca -0.14 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1whg s VAL 67 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1whg s VAL 67 CO -0.01 0.32 0.99 -0.83 0.00 0.00 0.00 175.10 175.57 1whg s GLY 68 N 1.56 2.90 -0.11 4.51 0.00 0.13 -2.79 107.32 113.53 1whg s GLY 68 Ca 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 1whg s GLY 68 CO -0.09 1.66 -0.06 0.14 0.00 0.00 0.00 173.10 174.75 1whg s VAL 69 N 0.77 0.89 -0.28 1.40 1.01 -0.70 -2.25 120.40 121.24 1whg s VAL 69 Ca 0.51 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1whg s VAL 69 Cb -0.22 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1whg s VAL 69 CO 0.29 0.34 0.14 -0.60 0.00 0.00 0.00 175.10 175.26 1whg s ARG 70 N 1.76 3.64 0.92 2.72 3.52 -0.25 -0.26 118.95 131.00 1whg s ARG 70 Ca 0.05 -0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.01 1whg s ARG 70 Cb -0.13 -3.51 0.15 0.00 -1.56 0.00 0.00 34.95 29.90 1whg s ARG 70 CO -0.08 -0.26 1.19 0.71 -0.81 0.00 0.00 175.30 176.05 1whg s TYR 71 N 1.66 2.27 -0.14 5.12 2.02 -1.01 -0.30 117.35 126.98 1whg s TYR 71 Ca 0.06 0.67 -0.18 0.00 -0.37 0.00 0.00 57.07 57.25 1whg s TYR 71 Cb -0.16 -3.60 -0.16 0.00 -0.40 0.00 0.00 41.96 37.65 1whg s TYR 71 CO 0.07 -2.37 0.41 -0.44 -1.57 0.00 0.00 175.55 171.64 1whg h ASP 72 N -1.48 0.00 -2.90 2.29 5.19 -1.90 -3.47 116.42 114.15 1whg h ASP 72 Ca -0.47 -0.57 -0.47 0.00 -0.62 0.00 0.00 57.03 54.90 1whg h ASP 72 Cb 1.31 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.84 1whg h ASP 72 CO 0.55 0.88 -0.07 -1.61 -3.12 0.00 0.00 179.24 175.87 1whg s GLU 73 N -2.03 3.18 -0.90 3.56 2.02 -1.26 -4.95 118.70 118.32 1whg s GLU 73 Ca -0.14 -0.36 -0.24 0.00 0.02 0.00 0.00 54.97 54.25 1whg s GLU 73 Cb -0.01 -2.54 -0.19 0.00 0.10 0.00 0.00 34.13 31.49 1whg s GLU 73 CO 0.43 -0.21 2.15 -2.30 0.02 0.00 0.00 175.26 175.35 1whg n PRO 74 N -2.08 0.25 -1.43 0.39 -0.02 -1.26 -4.51 135.00 126.34 1whg n PRO 74 Ca 0.00 -1.20 0.04 0.00 -2.02 0.00 0.00 63.50 60.32 1whg n PRO 74 Cb 0.57 -3.52 0.04 0.00 -0.02 0.00 0.00 33.50 30.57 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1whg n LEU 75 N 17.87 1.25 0.00 2.45 4.77 -1.02 -4.94 117.00 137.38 1whg n LEU 75 Ca 0.42 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1whg n LEU 75 Cb 0.44 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1whg n LEU 75 CO 0.59 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 1whg n GLY 76 N 0.26 3.35 1.37 -0.72 0.00 -0.82 -4.79 105.19 103.84 1whg n GLY 76 Ca 0.08 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1whg n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whg n LYS 77 N -0.00 0.00 -2.74 1.61 4.76 -1.09 -4.51 118.16 116.19 1whg n LYS 77 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1whg n LYS 77 Cb 0.00 -0.08 0.05 0.00 -1.84 0.00 0.00 35.03 33.15 1whg n LYS 77 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1whg s ASN 78 N -3.12 5.15 -0.26 4.39 0.01 -1.14 -4.46 114.94 115.51 1whg s ASN 78 Ca 0.00 -0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1whg s ASN 78 Cb 0.00 -0.54 -0.15 0.00 0.41 0.00 0.00 41.25 40.96 1whg s ASN 78 CO 0.00 -1.23 -0.25 -0.67 -1.51 0.00 0.00 177.10 173.44 1whg n ASP 79 N -2.34 1.97 0.00 -1.22 2.03 -1.26 -3.40 116.55 112.34 1whg n ASP 79 Ca 0.10 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1whg n ASP 79 Cb 0.60 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whg n GLY 80 N 1.85 0.50 3.66 0.27 0.00 -1.26 -3.18 105.19 107.03 1whg n GLY 80 Ca -0.49 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1whg n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 81 N 0.00 5.75 -0.05 1.61 0.01 -1.26 -2.00 113.70 117.75 1whg s SER 81 Ca 0.00 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1whg s SER 81 Cb 0.00 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.28 1whg s SER 81 CO 0.00 0.19 -0.03 -0.69 0.41 0.00 0.00 173.24 173.12 1whg s VAL 82 N 0.28 0.51 -1.85 3.43 1.01 0.20 -4.78 120.40 119.18 1whg s VAL 82 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1whg s VAL 82 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1whg s VAL 82 CO -0.00 0.24 0.00 0.59 0.00 0.00 0.00 175.10 175.93 1whg n ASN 83 N 4.39 -5.80 0.00 3.32 5.03 -1.26 -1.39 115.26 119.55 1whg n ASN 83 Ca -0.19 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.34 1whg n ASN 83 Cb 0.51 -4.88 0.00 0.00 -1.02 0.00 0.00 39.78 34.38 1whg n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1whg n GLY 84 N -0.89 2.89 3.78 7.41 0.00 -1.26 -5.03 105.19 112.08 1whg n GLY 84 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1whg n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whg s LYS 85 N -0.02 4.57 0.09 1.61 2.20 -0.49 -5.04 119.74 122.67 1whg s LYS 85 Ca 0.00 1.41 0.06 0.00 -0.36 0.00 0.00 55.97 57.08 1whg s LYS 85 Cb 0.00 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1whg s LYS 85 CO 0.00 0.25 -0.07 0.50 -0.36 0.00 0.00 175.35 175.67 1whg s ARG 86 N -1.95 2.28 0.00 4.03 3.52 -1.26 0.59 118.95 126.15 1whg s ARG 86 Ca 0.50 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1whg s ARG 86 Cb -0.21 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1whg s ARG 86 CO 0.27 0.52 0.00 0.66 -0.81 0.00 0.00 175.30 175.94 1whg n TYR 87 N 0.71 0.00 -4.01 5.12 4.02 -0.85 -4.99 117.16 117.16 1whg n TYR 87 Ca -0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.64 1whg n TYR 87 Cb 0.52 0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.88 1whg n TYR 87 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1whg n PHE 88 N -2.51 -1.03 -3.85 -0.72 -1.74 -1.25 -4.61 117.46 101.74 1whg n PHE 88 Ca 0.00 -1.86 -0.30 0.00 -0.56 0.00 0.00 57.45 54.73 1whg n PHE 88 Cb 0.35 0.36 -0.15 0.00 1.52 0.00 0.00 39.48 41.56 1whg n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1whg s GLU 89 N -2.71 1.05 0.26 3.97 2.02 -1.26 -4.60 118.70 117.43 1whg s GLU 89 Ca 0.24 -1.36 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 1whg s GLU 89 Cb -0.00 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1whg s GLU 89 CO 0.17 -0.94 0.54 0.00 0.02 0.00 0.00 175.26 175.05 1whg s GLN 91 N -3.92 -0.80 -0.49 0.00 -0.21 -1.26 -4.55 119.66 108.42 1whg s GLN 91 Ca 0.20 0.69 -0.03 0.00 0.02 0.00 0.00 55.36 56.23 1whg s GLN 91 Cb -0.02 -1.58 0.12 0.00 1.00 0.00 0.00 33.01 32.53 1whg s GLN 91 CO 0.09 -3.60 2.61 0.00 -2.12 0.00 0.00 175.29 172.27 1whg n ALA 92 N -4.81 6.35 -2.31 6.09 0.00 -1.26 -3.94 120.51 120.63 1whg n ALA 92 Ca 0.03 -3.06 -0.00 0.00 0.00 0.00 0.00 53.44 50.41 1whg n ALA 92 Cb 0.55 -2.06 0.01 0.00 0.00 0.00 0.00 19.45 17.96 1whg n ALA 92 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1whg n LYS 93 N 0.63 0.16 0.00 0.00 2.85 -1.22 -4.63 118.16 115.96 1whg n LYS 93 Ca 0.48 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1whg n LYS 93 Cb 0.52 0.17 0.00 0.00 -0.65 0.00 0.00 35.03 35.07 1whg n LYS 93 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1whg n TYR 94 N -0.18 -0.47 -2.63 5.58 4.02 -1.25 -1.94 117.16 120.28 1whg n TYR 94 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.45 1whg n TYR 94 Cb 0.50 0.40 -0.04 0.00 -0.02 0.00 0.00 39.34 40.19 1whg n TYR 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1whg s GLY 95 N -3.95 2.88 -0.06 2.72 0.00 -1.26 -2.40 107.32 105.26 1whg s GLY 95 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1whg s GLY 95 CO 0.00 1.61 -0.15 0.00 0.00 0.00 0.00 173.10 174.55 1whg s ALA 96 N 0.15 1.44 -0.24 3.20 0.00 0.64 -2.66 121.76 124.29 1whg s ALA 96 Ca 0.49 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 1whg s ALA 96 Cb -0.26 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1whg s ALA 96 CO 0.31 0.20 0.51 -0.06 0.00 0.00 0.00 175.76 176.72 1whg s PHE 97 N 0.37 3.29 0.36 0.00 0.08 -1.26 -1.72 117.98 119.10 1whg s PHE 97 Ca -0.10 0.67 0.07 0.00 0.12 0.00 0.00 56.93 57.69 1whg s PHE 97 Cb -0.14 -2.70 -0.03 0.00 -0.57 0.00 0.00 43.02 39.58 1whg s PHE 97 CO 0.04 -0.23 0.25 0.14 -0.10 0.00 0.00 175.22 175.32 1whg s VAL 98 N 2.12 0.13 0.09 -0.44 -7.23 -1.12 -5.02 120.40 108.92 1whg s VAL 98 Ca 0.22 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1whg s VAL 98 Cb -0.16 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1whg s VAL 98 CO 0.09 0.00 0.14 -0.54 -0.31 0.00 0.00 175.10 174.48 1whg s LYS 99 N -3.46 3.09 0.20 4.82 -0.14 -1.26 -1.29 119.74 121.70 1whg s LYS 99 Ca 0.36 -0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 54.17 1whg s LYS 99 Cb 0.02 -2.83 0.17 0.00 -1.68 0.00 0.00 37.83 33.51 1whg s LYS 99 CO 0.25 0.57 1.60 -1.35 -0.76 0.00 0.00 175.35 175.66 1whg h PRO 100 N 3.07 -0.11 -0.14 -1.68 0.11 -1.89 1.64 132.00 133.01 1whg h PRO 100 Ca -0.46 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whg h PRO 100 Cb 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.69 -0.07 0.22 1.03 -0.21 0.00 0.00 178.00 179.66 1whg h SER 101 N -0.11 0.00 0.46 -2.05 0.87 -1.95 0.77 113.55 111.54 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1whg h SER 101 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1whg h SER 101 CO -0.69 0.00 -0.79 0.00 -0.53 0.00 0.00 176.83 174.81 1whg n ALA 102 N -2.21 3.56 -2.82 6.23 0.00 0.52 -4.88 120.51 120.91 1whg n ALA 102 Ca 0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1whg n ALA 102 Cb 0.33 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1whg n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1whg s VAL 103 N -3.10 5.16 -0.31 0.00 1.01 0.27 -2.15 120.40 121.28 1whg s VAL 103 Ca 0.07 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1whg s VAL 103 Cb 0.15 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1whg s VAL 103 CO 0.76 0.59 0.03 -0.89 0.00 0.00 0.00 175.10 175.60 1whg s THR 104 N -0.81 1.90 -0.08 3.92 2.01 0.18 -4.86 115.64 117.90 1whg s THR 104 Ca 0.13 -1.94 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 1whg s THR 104 Cb -0.12 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1whg s THR 104 CO 0.03 -0.48 1.12 -0.69 -0.69 0.00 0.00 174.62 173.91 1whg s VAL 105 N 1.12 4.48 -0.08 3.82 1.01 -1.26 0.68 120.40 130.17 1whg s VAL 105 Ca 0.06 1.78 0.15 0.00 0.00 0.00 0.00 61.98 63.97 1whg s VAL 105 Cb -0.19 -4.15 0.31 0.00 0.00 0.00 0.00 36.38 32.35 1whg s VAL 105 CO -0.11 -0.01 1.14 0.61 0.00 0.00 0.00 175.10 176.74 1whg n GLY 106 N 3.26 2.81 0.02 4.51 0.00 -1.14 -4.59 105.19 110.06 1whg n GLY 106 Ca 0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 1whg n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whg n ASP 107 N -0.44 3.70 0.04 1.61 9.92 -1.23 -4.97 116.55 125.18 1whg n ASP 107 Ca 0.10 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1whg n ASP 107 Cb 0.82 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 1whg n ASP 107 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1whg n SER 108 N -2.56 0.63 0.00 -2.24 2.88 -1.26 -4.77 113.62 106.29 1whg n SER 108 Ca -0.08 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1whg n SER 108 Cb 0.59 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1whg n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whg n GLY 109 N 3.34 0.04 0.34 0.46 0.00 -1.26 -2.12 105.19 105.99 1whg n GLY 109 Ca 0.00 -1.96 0.10 0.00 0.00 0.00 0.00 46.02 44.17 1whg n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1whg h PRO 110 N 0.00 0.75 0.00 1.61 0.11 -1.94 -3.41 132.00 129.12 1whg h PRO 110 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1whg h PRO 110 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1whg h PRO 110 CO 0.00 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 1whg n SER 111 N -4.77 -1.24 -4.14 -2.05 3.41 -1.26 -4.58 113.62 99.00 1whg n SER 111 Ca 0.21 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.80 1whg n SER 111 Cb 0.50 1.43 -0.16 0.00 -0.26 0.00 0.00 64.21 65.71 1whg n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whg s SER 112 N -2.00 3.18 0.00 4.04 0.15 -1.26 -5.00 113.70 112.81 1whg s SER 112 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1whg s SER 112 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1whg s SER 112 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06