#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whg s SER 2 N 0.00 3.00 -0.21 1.61 1.04 -1.26 -5.03 113.70 112.84 1whg s SER 2 Ca 0.00 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1whg s SER 2 Cb 0.00 -0.18 -0.20 0.00 0.10 0.00 0.00 66.02 65.74 1whg s SER 2 CO 0.00 -2.80 -0.03 -1.54 0.98 0.00 0.00 173.24 169.84 1whg n SER 3 N -3.79 1.87 0.00 7.02 3.41 -1.26 -5.00 113.62 115.88 1whg n SER 3 Ca 0.16 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1whg n SER 3 Cb 0.59 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1whg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whg n GLY 4 N 2.14 0.00 2.03 5.00 0.00 -1.26 -5.09 105.19 108.02 1whg n GLY 4 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1whg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whg n SER 5 N 0.00 -0.56 -4.08 1.61 7.64 -1.26 -5.03 113.62 111.94 1whg n SER 5 Ca 0.00 0.20 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 1whg n SER 5 Cb 0.00 0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 63.83 1whg n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whg s SER 6 N -3.01 5.64 -0.25 6.43 1.04 -1.26 -5.00 113.70 117.30 1whg s SER 6 Ca 0.00 -3.51 -0.03 0.00 0.48 0.00 0.00 55.95 52.89 1whg s SER 6 Cb 0.00 -1.86 0.10 0.00 0.10 0.00 0.00 66.02 64.36 1whg s SER 6 CO 0.00 -0.22 0.18 -0.83 0.98 0.00 0.00 173.24 173.35 1whg s GLY 7 N -0.09 0.22 -0.05 7.32 0.00 -1.26 -4.92 107.32 108.54 1whg s GLY 7 Ca 0.24 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1whg s GLY 7 CO -0.10 2.14 1.45 -1.31 0.00 0.00 0.00 173.10 175.28 1whg s ASN 8 N 2.21 6.81 0.07 1.64 -0.87 -1.26 -4.90 114.94 118.64 1whg s ASN 8 Ca 0.07 2.07 0.08 0.00 -1.57 0.00 0.00 52.86 53.51 1whg s ASN 8 Cb -0.15 -2.55 -0.22 0.00 -0.02 0.00 0.00 41.25 38.31 1whg s ASN 8 CO -0.25 -0.79 1.11 1.05 -2.57 0.00 0.00 177.10 175.64 1whg h GLU 9 N 8.42 0.02 -0.17 -0.60 4.11 -2.00 -3.11 114.58 121.25 1whg h GLU 9 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1whg h GLU 9 Cb 1.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1whg h GLU 9 CO 0.93 0.88 0.00 0.39 0.07 0.00 0.00 179.01 181.29 1whg n GLU 10 N -3.28 2.39 -1.31 1.06 1.02 -1.26 -4.56 120.64 114.70 1whg n GLU 10 Ca -0.05 -2.64 -0.01 0.00 -0.02 0.00 0.00 57.16 54.44 1whg n GLU 10 Cb 0.97 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1whg n GLU 10 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1whg n LEU 11 N -0.74 0.00 -0.07 -4.62 7.94 -1.25 -4.77 117.00 113.50 1whg n LEU 11 Ca 0.18 -2.05 -0.11 0.00 -1.11 0.00 0.00 56.01 52.92 1whg n LEU 11 Cb 0.75 0.01 -0.15 0.00 0.53 0.00 0.00 43.42 44.56 1whg n LEU 11 CO 0.09 1.02 -0.93 -1.14 -1.11 0.00 0.00 177.39 175.32 1whg n ARG 12 N 0.20 0.67 -0.04 1.96 0.00 -1.17 -4.38 116.66 113.90 1whg n ARG 12 Ca -0.11 0.14 -0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1whg n ARG 12 Cb 0.92 -1.63 -0.09 0.00 0.00 0.00 0.00 32.46 31.66 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1whg n ALA 13 N -2.75 1.97 0.22 5.13 0.00 -1.26 -4.51 120.51 119.32 1whg n ALA 13 Ca -0.29 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 52.72 1whg n ALA 13 Cb 1.10 -0.12 0.71 0.00 0.00 0.00 0.00 19.45 21.14 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 -0.85 0.00 -0.00 -1.86 -0.76 115.11 111.64 1whg h GLN 14 Ca -0.19 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.00 1whg h GLN 14 Cb 1.27 0.00 -0.27 0.00 0.00 0.00 0.00 27.48 28.48 1whg h GLN 14 CO 0.01 0.00 0.48 1.04 0.00 0.00 0.00 178.83 180.36 1whg n GLN 15 N -4.34 2.24 -0.04 1.69 1.13 -1.26 -3.57 117.38 113.23 1whg n GLN 15 Ca -0.01 -3.11 -0.05 0.00 -1.94 0.00 0.00 57.00 51.90 1whg n GLN 15 Cb 0.19 -2.11 -0.04 0.00 0.11 0.00 0.00 30.24 28.39 1whg n GLN 15 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1whg n GLU 16 N -1.11 1.10 -0.06 -1.09 1.02 -0.29 -4.54 120.64 115.68 1whg n GLU 16 Ca 0.54 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.62 1whg n GLU 16 Cb 1.40 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.62 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 -2.56 1.79 0.24 0.62 0.00 -1.24 -4.58 120.51 114.78 1whg n ALA 17 Ca -0.12 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 52.93 1whg n ALA 17 Cb 0.66 0.24 0.56 0.00 0.00 0.00 0.00 19.45 20.91 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 -0.04 0.00 -1.27 0.00 4.39 -1.83 -2.98 114.58 112.86 1whg h GLU 18 Ca -0.26 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.94 1whg h GLU 18 Cb 1.39 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.83 1whg h GLU 18 CO -0.05 0.19 0.65 0.00 -1.16 0.00 0.00 179.01 178.63 1whg n ALA 19 N -2.24 5.72 0.00 3.43 0.00 -1.26 -0.19 120.51 125.98 1whg n ALA 19 Ca -0.01 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.88 1whg n ALA 19 Cb 0.36 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.27 1.47 -0.06 0.00 0.00 -1.13 -4.88 120.51 115.64 1whg n ALA 20 Ca 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1whg n ALA 20 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1whg n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1whg n GLN 21 N -2.17 0.36 -0.05 0.00 3.00 -1.18 -4.18 117.38 113.15 1whg n GLN 21 Ca 0.00 0.15 -0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1whg n GLN 21 Cb 0.00 -1.12 0.26 0.00 0.00 0.00 0.00 30.24 29.38 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 -0.66 0.65 -1.01 -1.09 2.47 -1.74 -2.28 114.38 110.72 1whg h ARG 22 Ca -0.16 -0.13 -0.50 0.00 -1.26 0.00 0.00 59.98 57.93 1whg h ARG 22 Cb 0.91 -0.10 -0.29 0.00 -1.65 0.00 0.00 29.97 28.85 1whg h ARG 22 CO -0.10 0.62 0.64 -0.11 0.56 0.00 0.00 179.97 181.58 1whg n LEU 23 N -4.29 6.63 0.08 3.04 7.94 0.74 -4.42 117.00 126.72 1whg n LEU 23 Ca 0.03 -3.55 -0.09 0.00 -1.11 0.00 0.00 56.01 51.28 1whg n LEU 23 Cb 0.23 -0.84 0.01 0.00 0.53 0.00 0.00 43.42 43.35 1whg n LEU 23 CO 0.39 1.06 0.28 0.28 -1.11 0.00 0.00 177.39 178.30 1whg h SER 24 N 1.05 0.31 -0.32 1.96 0.02 -1.57 -2.33 113.55 112.66 1whg h SER 24 Ca 0.60 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 61.17 1whg h SER 24 Cb 2.54 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 64.98 1whg h SER 24 CO 1.09 1.01 -0.36 -0.33 -1.14 0.00 0.00 176.83 177.11 1whg h GLU 25 N 0.14 0.81 -0.10 3.45 5.08 -1.81 -1.82 114.58 120.33 1whg h GLU 25 Ca -0.04 -0.44 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 1whg h GLU 25 Cb 1.44 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1whg h GLU 25 CO 0.13 1.08 -0.52 0.93 -1.00 0.00 0.00 179.01 179.63 1whg h GLU 26 N 0.59 0.28 -0.17 2.33 5.08 -1.87 -2.52 114.58 118.29 1whg h GLU 26 Ca 0.05 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1whg h GLU 26 Cb 0.94 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1whg h GLU 26 CO 0.09 0.73 -0.57 -0.22 -1.00 0.00 0.00 179.01 178.04 1whg h LYS 27 N 0.22 0.54 -0.09 2.33 3.64 -1.35 -2.41 116.57 119.45 1whg h LYS 27 Ca 0.01 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1whg h LYS 27 Cb 0.99 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1whg h LYS 27 CO 0.08 0.96 -0.04 0.00 -2.27 0.00 0.00 179.45 178.19 1whg h ALA 28 N 0.96 0.13 -0.16 5.00 0.00 -1.22 -2.20 119.26 121.77 1whg h ALA 28 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1whg h ALA 28 Cb 1.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1whg h ALA 28 CO 0.11 -0.12 -0.02 1.96 0.00 0.00 0.00 179.25 181.17 1whg h GLN 29 N -0.17 0.22 -0.00 0.00 4.20 -1.49 -1.81 115.11 116.06 1whg h GLN 29 Ca 0.02 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1whg h GLN 29 Cb 0.47 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1whg h GLN 29 CO 0.01 0.27 -0.63 0.00 -0.67 0.00 0.00 178.83 177.81 1whg h ALA 30 N 1.76 0.94 -0.90 3.87 0.00 -1.32 -3.02 119.26 120.60 1whg h ALA 30 Ca 0.05 -0.58 -0.49 0.00 0.00 0.00 0.00 54.91 53.90 1whg h ALA 30 Cb 0.20 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.61 1whg h ALA 30 CO 0.01 0.79 0.63 0.45 0.00 0.00 0.00 179.25 181.12 1whg n SER 31 N -3.79 4.24 0.00 0.00 2.88 -0.70 -4.26 113.62 111.99 1whg n SER 31 Ca -0.01 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 1whg n SER 31 Cb 0.63 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whg n ALA 32 N -0.94 2.54 -2.31 -1.46 0.00 -1.12 -5.01 120.51 112.21 1whg n ALA 32 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1whg n ALA 32 Cb 1.43 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 21.13 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 -1.80 4.09 0.73 0.00 1.01 -1.19 -5.01 121.20 119.03 1whg s ILE 33 Ca 0.00 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.85 1whg s ILE 33 Cb 0.00 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.64 1whg s ILE 33 CO 0.00 -0.14 1.10 -0.44 0.00 0.00 0.00 174.94 175.46 1whg s SER 34 N 2.42 5.10 -0.06 3.58 0.01 -1.26 -5.01 113.70 118.48 1whg s SER 34 Ca 0.60 0.94 -0.17 0.00 1.31 0.00 0.00 55.95 58.63 1whg s SER 34 Cb -0.24 -1.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 1whg s SER 34 CO 0.19 -1.52 0.45 -0.69 0.41 0.00 0.00 173.24 172.08 1whg s VAL 35 N -3.40 5.08 0.00 3.43 1.01 -1.26 -4.15 120.40 121.11 1whg s VAL 35 Ca 0.59 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1whg s VAL 35 Cb -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1whg s VAL 35 CO 0.50 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1whg n GLY 36 N 2.57 0.77 3.05 4.51 0.00 0.56 -4.97 105.19 111.69 1whg n GLY 36 Ca -0.10 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.76 2.01 0.19 1.61 0.01 -1.26 -4.88 113.70 108.61 1whg s SER 37 Ca 0.00 -0.34 -0.32 0.00 1.31 0.00 0.00 55.95 56.60 1whg s SER 37 Cb 0.00 -0.93 -0.12 0.00 0.21 0.00 0.00 66.02 65.19 1whg s SER 37 CO 0.00 0.05 1.75 -0.13 0.41 0.00 0.00 173.24 175.32 1whg s ARG 38 N 0.64 4.13 -0.07 12.44 3.00 -1.26 -2.96 118.95 134.87 1whg s ARG 38 Ca -0.15 2.61 -0.05 0.00 0.00 0.00 0.00 55.73 58.14 1whg s ARG 38 Cb -0.16 -3.20 0.03 0.00 0.00 0.00 0.00 34.95 31.61 1whg s ARG 38 CO 0.04 -0.78 0.18 0.00 0.00 0.00 0.00 175.30 174.74 1whg s GLU 40 N 0.52 2.90 -0.03 0.00 2.02 0.13 -3.06 118.70 121.18 1whg s GLU 40 Ca -0.04 1.05 0.02 0.00 0.02 0.00 0.00 54.97 56.03 1whg s GLU 40 Cb -0.05 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1whg s GLU 40 CO -0.03 -1.13 -0.08 0.08 0.02 0.00 0.00 175.26 174.12 1whg s VAL 41 N -2.89 0.70 -0.24 2.63 1.01 -0.99 -0.30 120.40 120.32 1whg s VAL 41 Ca 0.60 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1whg s VAL 41 Cb -0.15 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.65 1whg s VAL 41 CO 0.51 0.23 -0.10 -0.60 0.00 0.00 0.00 175.10 175.14 1whg s ARG 42 N 0.29 2.10 0.04 2.72 3.00 -0.91 -2.95 118.95 123.24 1whg s ARG 42 Ca -0.04 -1.19 -0.11 0.00 -1.00 0.00 0.00 55.73 53.39 1whg s ARG 42 Cb -0.09 -2.76 0.01 0.00 0.00 0.00 0.00 34.95 32.12 1whg s ARG 42 CO 0.00 -0.55 0.25 0.00 0.00 0.00 0.00 175.30 175.00 1whg s ALA 43 N 1.21 -0.51 -1.05 6.12 0.00 -1.26 -4.86 121.76 121.41 1whg s ALA 43 Ca -0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1whg s ALA 43 Cb -0.19 0.31 -0.15 0.00 0.00 0.00 0.00 23.12 23.09 1whg s ALA 43 CO -0.06 -0.39 3.12 -0.35 0.00 0.00 0.00 175.76 178.07 1whg n PRO 44 N 0.61 3.04 0.00 0.00 -0.04 -1.26 -3.93 135.00 133.42 1whg n PRO 44 Ca -0.19 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1whg n PRO 44 Cb 0.59 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.26 2.60 0.06 3.54 8.00 -1.26 -5.06 116.55 127.69 1whg n ASP 45 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1whg n ASP 45 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.62 -2.42 -1.29 1.24 -0.00 -1.25 -5.18 115.22 103.70 1whg n HIS 46 Ca 0.00 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1whg n HIS 46 Cb 0.48 1.24 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 -1.13 0.46 0.00 0.00 176.34 175.67 1whg n SER 47 N -2.79 0.00 -4.69 0.26 3.41 -1.26 -5.09 113.62 103.46 1whg n SER 47 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1whg n SER 47 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1whg s LEU 48 N 0.00 4.38 0.38 1.04 1.43 -1.26 -4.69 118.68 119.95 1whg s LEU 48 Ca 0.00 2.61 0.08 0.00 -1.03 0.00 0.00 54.13 55.79 1whg s LEU 48 Cb 0.00 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 1whg s LEU 48 CO 0.00 -0.93 -0.04 -0.13 0.23 0.00 0.00 176.35 175.49 1whg s ARG 49 N 2.49 1.88 -0.23 1.70 1.81 -1.15 -4.94 118.95 120.51 1whg s ARG 49 Ca 0.76 -2.02 0.02 0.00 -1.72 0.00 0.00 55.73 52.77 1whg s ARG 49 Cb -0.43 -1.64 0.05 0.00 -0.45 0.00 0.00 34.95 32.48 1whg s ARG 49 CO 0.34 0.03 -0.13 1.03 -0.68 0.00 0.00 175.30 175.89 1whg s ARG 50 N -3.67 2.37 0.00 3.54 1.81 -1.26 -2.35 118.95 119.39 1whg s ARG 50 Ca 0.34 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1whg s ARG 50 Cb 0.06 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 1whg s ARG 50 CO 0.17 -0.45 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 1whg n GLY 51 N 4.54 5.36 3.10 -3.53 0.00 -1.17 -4.12 105.19 109.37 1whg n GLY 51 Ca -0.16 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.78 0.87 0.00 2.61 2.01 -1.19 -2.03 115.64 117.12 1whg s THR 52 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1whg s THR 52 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1whg s THR 52 CO 0.00 -0.12 1.11 -0.69 -0.69 0.00 0.00 174.62 174.23 1whg s VAL 53 N -0.96 4.43 -0.00 3.82 1.01 -1.15 -2.71 120.40 124.84 1whg s VAL 53 Ca -0.02 1.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 1whg s VAL 53 Cb -0.08 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 1whg s VAL 53 CO 0.01 0.10 -0.00 0.23 0.00 0.00 0.00 175.10 175.43 1whg n MET 54 N 4.28 0.00 -4.21 2.72 2.81 -0.72 -0.32 117.12 121.68 1whg n MET 54 Ca 0.08 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.81 1whg n MET 54 Cb 0.48 -0.57 -0.14 0.00 -0.71 0.00 0.00 33.22 32.29 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 -2.00 0.71 -0.29 2.03 6.14 -1.23 -4.91 117.35 117.79 1whg s TYR 55 Ca -0.00 -0.24 -0.01 0.00 0.64 0.00 0.00 57.07 57.45 1whg s TYR 55 Cb 0.00 -0.44 0.13 0.00 0.42 0.00 0.00 41.96 42.07 1whg s TYR 55 CO 0.00 -0.02 0.27 0.08 0.64 0.00 0.00 175.55 176.52 1whg s VAL 56 N -0.56 -0.35 0.00 3.14 1.01 -1.26 -0.85 120.40 121.53 1whg s VAL 56 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1whg s VAL 56 Cb -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1whg s VAL 56 CO 0.00 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1whg n GLY 57 N 5.30 1.25 3.81 4.51 0.00 -1.01 -4.96 105.19 114.08 1whg n GLY 57 Ca -0.03 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 4.11 0.53 0.99 1.43 -1.26 -0.42 118.68 124.07 1whg s LEU 58 Ca 0.00 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.79 1whg s LEU 58 Cb 0.00 -4.21 0.05 0.00 0.03 0.00 0.00 46.19 42.06 1whg s LEU 58 CO 0.00 -0.21 0.54 0.42 0.23 0.00 0.00 176.35 177.34 1whg s THR 59 N -1.92 2.02 -0.09 5.49 -4.23 -1.24 -4.92 115.64 110.75 1whg s THR 59 Ca 0.55 -1.28 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1whg s THR 59 Cb -0.13 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1whg s THR 59 CO 0.17 0.00 0.02 0.47 -0.54 0.00 0.00 174.62 174.74 1whg n ASP 60 N -1.91 2.90 0.03 3.99 8.00 -1.26 -4.62 116.55 123.68 1whg n ASP 60 Ca 0.06 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.48 1whg n ASP 60 Cb 0.63 0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 42.24 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1whg h PHE 61 N 0.00 0.00 -3.99 1.24 -5.15 -1.90 -3.47 116.94 103.67 1whg h PHE 61 Ca -0.23 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 57.09 1whg h PHE 61 Cb 1.52 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 37.46 1whg h PHE 61 CO 0.00 0.99 -0.79 0.21 -2.00 0.00 0.00 178.31 176.72 1whg s LYS 62 N -2.67 0.92 1.00 6.09 2.20 -1.26 -5.14 119.74 120.89 1whg s LYS 62 Ca -0.01 -0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 54.55 1whg s LYS 62 Cb 0.09 -0.96 0.20 0.00 -1.51 0.00 0.00 37.83 35.64 1whg s LYS 62 CO 0.82 0.23 1.19 -1.25 -0.36 0.00 0.00 175.35 175.98 1whg s PRO 63 N -1.47 0.38 0.28 4.03 0.04 -1.26 -4.02 135.00 132.97 1whg s PRO 63 Ca 0.01 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1whg s PRO 63 Cb -0.09 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1whg s PRO 63 CO 0.02 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1whg n GLY 64 N -2.40 -1.90 3.89 0.56 0.00 -1.26 -4.83 105.19 99.25 1whg n GLY 64 Ca 0.11 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.15 2.99 0.28 1.61 2.02 -1.26 -3.72 117.35 117.12 1whg s TYR 65 Ca 0.00 0.82 -0.14 0.00 -0.37 0.00 0.00 57.07 57.39 1whg s TYR 65 Cb 0.00 -3.40 0.01 0.00 -0.40 0.00 0.00 41.96 38.16 1whg s TYR 65 CO 0.00 -1.71 0.56 -1.58 -1.57 0.00 0.00 175.55 171.25 1whg s TRP 66 N -3.51 0.31 -0.09 2.71 0.52 0.44 -4.84 118.94 114.49 1whg s TRP 66 Ca 0.61 -0.71 -0.03 0.00 0.02 0.00 0.00 56.10 55.99 1whg s TRP 66 Cb -0.11 0.33 0.05 0.00 -1.15 0.00 0.00 33.47 32.59 1whg s TRP 66 CO 0.50 -1.13 0.15 0.08 0.02 0.00 0.00 176.95 176.57 1whg s VAL 67 N -3.69 -0.24 -0.52 4.03 1.01 0.18 -2.41 120.40 118.75 1whg s VAL 67 Ca 0.20 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 1whg s VAL 67 Cb -0.02 -0.32 0.04 0.00 0.00 0.00 0.00 36.38 36.08 1whg s VAL 67 CO 0.10 0.11 0.92 -0.83 0.00 0.00 0.00 175.10 175.40 1whg s GLY 68 N 2.27 1.44 -0.14 4.51 0.00 -0.03 -1.50 107.32 113.88 1whg s GLY 68 Ca 0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 1whg s GLY 68 CO -0.06 2.02 -0.05 0.14 0.00 0.00 0.00 173.10 175.15 1whg s VAL 69 N 3.85 3.75 -0.36 1.40 1.01 -0.82 -1.76 120.40 127.46 1whg s VAL 69 Ca 0.32 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1whg s VAL 69 Cb -0.12 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1whg s VAL 69 CO 0.21 0.52 0.21 -0.60 0.00 0.00 0.00 175.10 175.44 1whg s ARG 70 N 0.14 3.00 0.88 2.72 3.52 -1.10 -1.75 118.95 126.37 1whg s ARG 70 Ca -0.02 -0.96 -0.12 0.00 -0.13 0.00 0.00 55.73 54.50 1whg s ARG 70 Cb -0.14 -3.72 0.12 0.00 -1.56 0.00 0.00 34.95 29.65 1whg s ARG 70 CO 0.03 -0.62 1.13 0.71 -0.81 0.00 0.00 175.30 175.74 1whg s TYR 71 N 1.59 2.60 -0.07 5.12 2.02 -0.95 -3.19 117.35 124.47 1whg s TYR 71 Ca 0.03 0.90 0.09 0.00 -0.37 0.00 0.00 57.07 57.73 1whg s TYR 71 Cb -0.19 -3.34 -0.24 0.00 -0.40 0.00 0.00 41.96 37.79 1whg s TYR 71 CO 0.07 -2.22 0.56 -3.47 -1.57 0.00 0.00 175.55 168.92 1whg n ASP 72 N -3.68 1.07 -4.67 2.29 2.03 -1.26 -4.89 116.55 107.45 1whg n ASP 72 Ca 0.07 0.34 -0.29 0.00 0.52 0.00 0.00 54.79 55.43 1whg n ASP 72 Cb 0.59 -0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.75 1whg n ASP 72 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1whg s GLU 73 N -2.58 2.46 -0.82 -0.67 2.02 -1.26 -5.02 118.70 112.83 1whg s GLU 73 Ca -0.09 -0.93 -0.22 0.00 0.02 0.00 0.00 54.97 53.76 1whg s GLU 73 Cb 0.08 -2.47 -0.19 0.00 0.10 0.00 0.00 34.13 31.65 1whg s GLU 73 CO 0.81 0.51 2.37 -2.30 0.02 0.00 0.00 175.26 176.67 1whg n PRO 74 N 0.41 0.43 -2.20 0.39 -0.02 -1.26 -4.54 135.00 128.21 1whg n PRO 74 Ca -0.11 -0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 60.90 1whg n PRO 74 Cb 0.53 -2.79 0.05 0.00 -0.02 0.00 0.00 33.50 31.27 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 14.25 -0.42 0.00 2.45 4.77 -1.09 -5.02 117.00 131.94 1whg n LEU 75 Ca 0.53 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 1whg n LEU 75 Cb 0.34 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1whg n LEU 75 CO 0.74 1.38 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 1whg n GLY 76 N -0.76 4.19 1.37 -0.72 0.00 -0.45 -4.82 105.19 103.99 1whg n GLY 76 Ca -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.02 0.00 -2.20 1.61 4.76 -1.26 -4.55 118.16 116.50 1whg n LYS 77 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1whg n LYS 77 Cb 0.00 -0.06 0.17 0.00 -1.84 0.00 0.00 35.03 33.29 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 -2.75 3.44 -0.06 4.39 0.01 -1.25 -4.13 114.94 114.59 1whg s ASN 78 Ca 0.00 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1whg s ASN 78 Cb 0.00 -0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 1whg s ASN 78 CO 0.00 -2.49 -0.04 -0.67 -1.51 0.00 0.00 177.10 172.38 1whg n ASP 79 N -3.46 3.57 0.00 -1.22 -0.08 -1.26 -2.32 116.55 111.79 1whg n ASP 79 Ca 0.16 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1whg n ASP 79 Cb 0.60 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whg n GLY 80 N 3.15 1.25 3.02 0.27 0.00 -1.26 -4.15 105.19 107.47 1whg n GLY 80 Ca -0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 4.45 -0.06 1.61 0.01 -1.26 -1.66 113.70 116.79 1whg s SER 81 Ca 0.00 -1.65 0.05 0.00 1.31 0.00 0.00 55.95 55.66 1whg s SER 81 Cb 0.00 -1.49 -0.00 0.00 0.21 0.00 0.00 66.02 64.74 1whg s SER 81 CO 0.00 -0.28 -0.21 -0.69 0.41 0.00 0.00 173.24 172.48 1whg s VAL 82 N 1.10 1.74 -1.53 3.43 1.01 -0.63 -4.70 120.40 120.82 1whg s VAL 82 Ca -0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1whg s VAL 82 Cb -0.19 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1whg s VAL 82 CO -0.07 0.49 0.68 0.59 0.00 0.00 0.00 175.10 176.79 1whg n ASN 83 N 3.25 -6.16 -1.39 3.32 5.03 -1.26 -1.60 115.26 116.44 1whg n ASN 83 Ca -0.19 -0.32 -0.13 0.00 0.87 0.00 0.00 54.58 54.82 1whg n ASN 83 Cb 0.52 -4.95 -0.01 0.00 -1.02 0.00 0.00 39.78 34.32 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 -1.59 0.08 2.91 7.41 0.00 -1.26 -4.90 105.19 107.85 1whg n GLY 84 Ca -0.10 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.39 1.55 -0.10 1.61 2.47 -0.63 -5.12 119.74 115.12 1whg s LYS 85 Ca 0.00 -0.41 -0.16 0.00 -1.56 0.00 0.00 55.97 53.84 1whg s LYS 85 Cb 0.00 -1.83 -0.05 0.00 -1.46 0.00 0.00 37.83 34.49 1whg s LYS 85 CO 0.00 -0.34 0.40 0.50 0.16 0.00 0.00 175.35 176.07 1whg s ARG 86 N 1.65 4.22 -0.08 4.03 3.52 -1.26 -1.60 118.95 129.43 1whg s ARG 86 Ca 0.03 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1whg s ARG 86 Cb -0.14 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1whg s ARG 86 CO -0.08 0.30 -0.08 0.66 -0.81 0.00 0.00 175.30 175.29 1whg n TYR 87 N 3.22 0.00 -4.16 5.12 4.02 -0.67 -5.02 117.16 119.68 1whg n TYR 87 Ca -0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.63 1whg n TYR 87 Cb 0.52 -0.29 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 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 -2.94 -1.05 -3.96 -0.72 1.16 -1.25 -4.51 117.46 104.19 1whg n PHE 88 Ca -0.14 -2.44 -0.31 0.00 -1.87 0.00 0.00 57.45 52.69 1whg n PHE 88 Cb 0.63 0.39 -0.15 0.00 -1.61 0.00 0.00 39.48 38.74 1whg n PHE 88 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1whg s GLU 89 N -3.03 1.43 0.31 3.97 8.01 -1.26 -4.74 118.70 123.39 1whg s GLU 89 Ca 0.33 -1.87 -0.11 0.00 0.01 0.00 0.00 54.97 53.32 1whg s GLU 89 Cb 0.01 -3.01 0.04 0.00 -4.31 0.00 0.00 34.13 26.86 1whg s GLU 89 CO 0.23 -0.98 0.61 0.00 0.01 0.00 0.00 175.26 175.14 1whg n GLN 91 N -0.43 -0.15 -2.55 0.00 1.13 -1.26 -4.69 117.38 109.43 1whg n GLN 91 Ca -0.07 -1.80 -0.28 0.00 -1.94 0.00 0.00 57.00 52.91 1whg n GLN 91 Cb 0.47 -0.59 -0.00 0.00 0.11 0.00 0.00 30.24 30.23 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whg s ALA 92 N -3.28 3.36 -1.61 -1.58 0.00 -1.26 -4.04 121.76 113.34 1whg s ALA 92 Ca 0.48 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1whg s ALA 92 Cb -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1whg s ALA 92 CO 0.33 -0.37 0.43 1.63 0.00 0.00 0.00 175.76 177.77 1whg n LYS 93 N -2.27 -3.94 0.08 0.00 5.02 -0.98 -4.78 118.16 111.29 1whg n LYS 93 Ca 0.01 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1whg n LYS 93 Cb 0.55 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1whg n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1whg n TYR 94 N -4.37 -1.43 -3.12 2.13 4.01 -1.26 -1.34 117.16 111.77 1whg n TYR 94 Ca -0.15 0.26 -0.45 0.00 -0.16 0.00 0.00 57.90 57.40 1whg n TYR 94 Cb 0.64 0.62 -0.03 0.00 -0.31 0.00 0.00 39.34 40.26 1whg n TYR 94 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1whg s GLY 95 N -4.89 2.10 0.71 2.72 0.00 -1.26 -2.25 107.32 104.45 1whg s GLY 95 Ca 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 44.72 41.91 1whg s GLY 95 CO 0.00 1.61 1.03 0.00 0.00 0.00 0.00 173.10 175.74 1whg s ALA 96 N 1.91 3.10 -0.26 3.20 0.00 -0.72 -3.79 121.76 125.20 1whg s ALA 96 Ca 0.20 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1whg s ALA 96 Cb -0.14 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.37 1whg s ALA 96 CO -0.03 -1.29 -0.09 -0.06 0.00 0.00 0.00 175.76 174.29 1whg s PHE 97 N -3.26 3.22 0.44 0.00 0.08 -1.26 -1.95 117.98 115.24 1whg s PHE 97 Ca 0.60 -2.12 0.06 0.00 0.12 0.00 0.00 56.93 55.59 1whg s PHE 97 Cb -0.11 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1whg s PHE 97 CO 0.46 -0.85 0.07 0.14 -0.10 0.00 0.00 175.22 174.94 1whg s VAL 98 N 1.17 1.85 0.06 -0.44 -7.23 -0.56 -4.89 120.40 110.34 1whg s VAL 98 Ca -0.06 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1whg s VAL 98 Cb -0.19 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1whg s VAL 98 CO -0.05 0.00 0.32 -0.54 -0.31 0.00 0.00 175.10 174.53 1whg s LYS 99 N -3.84 3.63 0.20 4.82 -0.14 -1.26 0.47 119.74 123.62 1whg s LYS 99 Ca 0.29 -0.03 -0.16 0.00 -1.36 0.00 0.00 55.97 54.71 1whg s LYS 99 Cb 0.06 -3.01 0.19 0.00 -1.68 0.00 0.00 37.83 33.39 1whg s LYS 99 CO 0.16 0.59 1.61 -1.35 -0.76 0.00 0.00 175.35 175.59 1whg h PRO 100 N 3.63 -0.07 -0.15 -1.68 0.11 -1.88 1.56 132.00 133.51 1whg h PRO 100 Ca -0.49 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1whg h PRO 100 Cb 1.19 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1whg h PRO 100 CO 0.68 -0.05 0.21 0.66 -0.21 0.00 0.00 178.00 179.29 1whg h SER 101 N -0.08 0.00 0.84 -2.05 4.64 -1.92 0.88 113.55 115.86 1whg h SER 101 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1whg h SER 101 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1whg h SER 101 CO -0.67 0.00 -0.60 0.00 -0.87 0.00 0.00 176.83 174.70 1whg n ALA 102 N -2.24 2.97 -2.75 5.18 0.00 0.51 -4.82 120.51 119.35 1whg n ALA 102 Ca 0.01 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 1whg n ALA 102 Cb 0.32 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.15 5.26 -0.19 0.00 1.01 0.31 -2.13 120.40 121.50 1whg s VAL 103 Ca 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1whg s VAL 103 Cb 0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1whg s VAL 103 CO 0.71 0.45 -0.07 -0.89 0.00 0.00 0.00 175.10 175.30 1whg s THR 104 N 0.36 3.30 -0.13 3.92 2.01 0.58 -4.88 115.64 120.81 1whg s THR 104 Ca 0.07 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 1whg s THR 104 Cb -0.11 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1whg s THR 104 CO -0.01 0.46 0.32 -0.69 -0.69 0.00 0.00 174.62 174.01 1whg s VAL 105 N 1.02 5.27 0.00 3.82 1.01 -1.26 0.19 120.40 130.45 1whg s VAL 105 Ca -0.00 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1whg s VAL 105 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1whg s VAL 105 CO -0.00 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1whg n GLY 106 N 3.06 0.00 0.18 4.51 0.00 -1.25 -4.81 105.19 106.88 1whg n GLY 106 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1whg n GLY 106 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1whg h ASP 107 N 0.00 0.66 -4.21 1.61 1.82 -1.93 -3.45 116.42 110.92 1whg h ASP 107 Ca 0.00 -0.55 -0.48 0.00 -0.39 0.00 0.00 57.03 55.61 1whg h ASP 107 Cb 0.77 -0.19 0.03 0.00 0.68 0.00 0.00 39.33 40.62 1whg h ASP 107 CO 0.00 1.09 0.38 -0.55 -1.61 0.00 0.00 179.24 178.55 1whg s SER 108 N -6.58 6.53 0.00 2.28 0.15 -1.26 -5.00 113.70 109.82 1whg s SER 108 Ca -0.13 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1whg s SER 108 Cb 0.07 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1whg s SER 108 CO 0.82 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1whg n GLY 109 N -1.84 3.99 3.79 9.45 0.00 -1.26 -4.98 105.19 114.34 1whg n GLY 109 Ca 0.06 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1whg n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whg s PRO 110 N -4.64 3.54 0.10 1.61 0.04 -1.26 -4.99 135.00 129.39 1whg s PRO 110 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1whg s PRO 110 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1whg s PRO 110 CO 0.00 -0.65 0.00 0.43 0.04 0.00 0.00 177.00 176.82 1whg n SER 111 N -1.42 0.16 -3.81 6.66 7.64 -1.26 -5.07 113.62 116.51 1whg n SER 111 Ca 0.09 0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 1whg n SER 111 Cb 0.52 0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.61 1whg n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whg s SER 112 N -4.87 2.81 0.00 6.43 0.15 -1.26 -5.37 113.70 111.59 1whg s SER 112 Ca 0.00 -0.71 0.13 0.00 0.70 0.00 0.00 55.95 56.07 1whg s SER 112 Cb 0.00 -0.74 0.10 0.00 -1.71 0.00 0.00 66.02 63.67 1whg s SER 112 CO 0.00 -0.24 0.92 0.61 1.20 0.00 0.00 173.24 175.72