#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 2.14 -0.29 1.61 0.01 -1.26 -5.12 113.70 110.80 1whg s SER 2 Ca 0.00 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 1whg s SER 2 Cb 0.00 -0.31 0.15 0.00 0.21 0.00 0.00 66.02 66.07 1whg s SER 2 CO 0.00 -0.31 1.01 -0.55 0.41 0.00 0.00 173.24 173.80 1whg s SER 3 N 2.07 -0.46 0.00 2.44 0.15 -1.26 -4.98 113.70 111.66 1whg s SER 3 Ca 0.02 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1whg s SER 3 Cb -0.15 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1whg s SER 3 CO -0.07 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1whg n GLY 4 N 3.62 1.70 3.11 9.45 0.00 -1.26 -5.13 105.19 116.68 1whg n GLY 4 Ca -0.18 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.11 -0.26 1.61 0.01 -1.26 -5.13 113.70 107.56 1whg s SER 5 Ca 0.00 0.77 -0.04 0.00 1.31 0.00 0.00 55.95 57.99 1whg s SER 5 Cb 0.00 1.99 0.15 0.00 0.21 0.00 0.00 66.02 68.36 1whg s SER 5 CO 0.00 -0.27 0.49 -0.55 0.41 0.00 0.00 173.24 173.32 1whg s SER 6 N 2.81 -0.53 0.00 2.44 0.15 -1.26 -4.92 113.70 112.39 1whg s SER 6 Ca 0.19 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1whg s SER 6 Cb -0.15 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1whg s SER 6 CO -0.20 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1whg n GLY 7 N 5.40 1.34 3.49 9.45 0.00 -1.26 -5.06 105.19 118.56 1whg n GLY 7 Ca -0.04 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1whg n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1whg s ASN 8 N -2.33 6.23 0.00 1.61 3.84 -1.26 -4.89 114.94 118.14 1whg s ASN 8 Ca 0.00 -0.59 0.20 0.00 0.21 0.00 0.00 52.86 52.68 1whg s ASN 8 Cb 0.00 -2.25 0.01 0.00 -0.55 0.00 0.00 41.25 38.46 1whg s ASN 8 CO 0.00 -0.64 1.01 -0.62 -2.79 0.00 0.00 177.10 174.05 1whg n GLU 9 N 5.79 1.47 -0.78 0.43 1.02 -1.26 -4.29 120.64 123.02 1whg n GLU 9 Ca -0.06 -1.01 -0.00 0.00 -0.02 0.00 0.00 57.16 56.08 1whg n GLU 9 Cb 0.47 -1.39 0.28 0.00 -0.02 0.00 0.00 31.44 30.79 1whg n GLU 9 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1whg n GLU 10 N 0.07 3.65 -0.68 3.49 2.13 -1.26 -3.97 120.64 124.07 1whg n GLU 10 Ca 0.09 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.42 1whg n GLU 10 Cb 0.42 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1whg n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1whg n LEU 11 N 0.20 0.13 -0.10 4.31 7.94 -1.26 -4.78 117.00 123.44 1whg n LEU 11 Ca 0.28 -1.19 -0.12 0.00 -1.11 0.00 0.00 56.01 53.87 1whg n LEU 11 Cb 1.11 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.93 1whg n LEU 11 CO 0.31 0.42 -1.17 -1.14 -1.11 0.00 0.00 177.39 174.70 1whg n ARG 12 N 0.08 0.83 0.00 1.96 3.00 -1.25 -4.21 116.66 117.07 1whg n ARG 12 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 57.85 57.83 1whg n ARG 12 Cb 0.75 -1.48 -0.12 0.00 0.00 0.00 0.00 32.46 31.61 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1whg h ALA 13 N 0.58 0.70 -0.01 5.13 0.00 -1.89 -3.34 119.26 120.43 1whg h ALA 13 Ca -0.51 -1.25 -0.08 0.00 0.00 0.00 0.00 54.91 53.06 1whg h ALA 13 Cb 2.03 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 20.16 1whg h ALA 13 CO -0.01 1.39 -0.39 0.37 0.00 0.00 0.00 179.25 180.61 1whg h GLN 14 N 0.00 0.01 -1.01 0.00 -0.00 -1.86 -2.71 115.11 109.54 1whg h GLN 14 Ca -0.22 -0.01 -0.52 0.00 -0.00 0.00 0.00 58.65 57.91 1whg h GLN 14 Cb 1.88 -0.00 -0.29 0.00 0.00 0.00 0.00 27.48 29.08 1whg h GLN 14 CO 0.08 0.40 0.66 1.04 0.00 0.00 0.00 178.83 181.01 1whg n GLN 15 N -4.07 2.26 -0.05 1.69 6.02 -1.25 -2.88 117.38 119.09 1whg n GLN 15 Ca -0.02 -2.87 -0.06 0.00 -0.01 0.00 0.00 57.00 54.04 1whg n GLN 15 Cb 0.42 -2.13 -0.08 0.00 1.02 0.00 0.00 30.24 29.48 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 -0.99 2.07 0.00 -1.09 1.02 -1.02 -4.54 120.64 116.10 1whg n GLU 16 Ca 0.57 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1whg n GLU 16 Cb 1.40 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 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 -2.44 2.56 0.18 0.62 0.00 -1.26 -4.59 120.51 115.59 1whg n ALA 17 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1whg n ALA 17 Cb 0.82 0.24 -0.08 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.43 -1.04 0.00 4.39 -1.84 -3.10 114.58 112.55 1whg h GLU 18 Ca 0.00 0.03 -0.52 0.00 0.34 0.00 0.00 59.36 59.21 1whg h GLU 18 Cb 0.48 0.10 -0.27 0.00 -0.10 0.00 0.00 28.75 28.95 1whg h GLU 18 CO 0.00 -0.15 0.67 0.00 -1.16 0.00 0.00 179.01 178.36 1whg n ALA 19 N -2.42 5.61 -0.02 3.43 0.00 -1.14 -3.42 120.51 122.54 1whg n ALA 19 Ca -0.10 -2.79 -0.03 0.00 0.00 0.00 0.00 53.44 50.51 1whg n ALA 19 Cb 0.25 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.84 1.89 -0.07 0.00 0.00 -1.17 -4.69 120.51 115.63 1whg n ALA 20 Ca 0.55 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 1whg n ALA 20 Cb 1.18 0.38 -0.09 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.63 1.24 0.24 0.00 3.00 -1.21 -4.48 117.38 113.55 1whg n GLN 21 Ca -0.09 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1whg n GLN 21 Cb 0.59 -1.34 0.72 0.00 0.00 0.00 0.00 30.24 30.21 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 0.00 -1.14 -1.09 3.08 -1.78 -1.64 114.38 111.82 1whg h ARG 22 Ca -0.37 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.12 1whg h ARG 22 Cb 1.72 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.52 1whg h ARG 22 CO -0.01 0.00 0.72 -0.11 -1.07 0.00 0.00 179.97 179.50 1whg n LEU 23 N -4.33 7.23 -0.02 3.04 7.94 -1.26 -4.33 117.00 125.26 1whg n LEU 23 Ca -0.02 -3.92 -0.09 0.00 -1.11 0.00 0.00 56.01 50.87 1whg n LEU 23 Cb 0.15 -0.98 -0.14 0.00 0.53 0.00 0.00 43.42 42.98 1whg n LEU 23 CO 0.32 1.35 -0.56 -1.20 -1.11 0.00 0.00 177.39 176.20 1whg n SER 24 N -0.58 0.92 -0.03 1.96 7.64 -0.62 -3.74 113.62 119.18 1whg n SER 24 Ca 0.53 0.39 -0.11 0.00 1.01 0.00 0.00 58.87 60.69 1whg n SER 24 Cb 0.72 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1whg n SER 24 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1whg h GLU 25 N 0.00 0.21 -0.41 1.43 5.08 -1.82 -2.57 114.58 116.50 1whg h GLU 25 Ca -0.30 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1whg h GLU 25 Cb 2.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1whg h GLU 25 CO 0.08 0.20 0.09 0.93 -1.00 0.00 0.00 179.01 179.30 1whg h GLU 26 N 0.16 0.61 -0.12 2.33 5.08 -1.89 -2.13 114.58 118.62 1whg h GLU 26 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1whg h GLU 26 Cb 0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1whg h GLU 26 CO -0.01 0.57 0.08 -0.22 -1.00 0.00 0.00 179.01 178.43 1whg h LYS 27 N 0.60 0.16 -0.18 2.33 3.64 -1.55 -0.01 116.57 121.56 1whg h LYS 27 Ca 0.14 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1whg h LYS 27 Cb 0.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1whg h LYS 27 CO -0.00 0.11 0.03 0.00 -2.27 0.00 0.00 179.45 177.32 1whg h ALA 28 N 1.92 0.23 -0.08 5.00 0.00 -1.10 -0.29 119.26 124.93 1whg h ALA 28 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1whg h ALA 28 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1whg h ALA 28 CO -0.01 -0.11 -0.14 1.96 0.00 0.00 0.00 179.25 180.96 1whg h GLN 29 N 0.08 0.24 -0.11 0.00 4.20 -1.46 -3.12 115.11 114.94 1whg h GLN 29 Ca 0.05 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1whg h GLN 29 Cb 0.30 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1whg h GLN 29 CO 0.00 0.72 0.07 0.00 -0.67 0.00 0.00 178.83 178.96 1whg h ALA 30 N 0.52 1.95 -1.00 3.87 0.00 -1.04 -1.81 119.26 121.74 1whg h ALA 30 Ca 0.01 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1whg h ALA 30 Cb 0.70 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.17 1whg h ALA 30 CO 0.03 0.04 0.86 0.45 0.00 0.00 0.00 179.25 180.63 1whg n SER 31 N -4.52 7.39 -1.35 0.00 2.88 -0.12 -4.20 113.62 113.70 1whg n SER 31 Ca -0.01 -3.78 -0.03 0.00 -1.33 0.00 0.00 58.87 53.72 1whg n SER 31 Cb 0.10 -0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 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 3.26 -3.64 -1.46 0.00 -0.68 -4.94 120.51 112.12 1whg n ALA 32 Ca 0.63 -1.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 1whg n ALA 32 Cb 0.74 -0.51 -0.16 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.14 0.29 0.40 0.00 1.01 -1.25 -5.02 121.20 116.50 1whg s ILE 33 Ca 0.11 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 1whg s ILE 33 Cb 0.16 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 1whg s ILE 33 CO -0.06 -0.57 1.39 -0.44 0.00 0.00 0.00 174.94 175.27 1whg s SER 34 N 1.93 6.23 -0.09 3.58 0.01 -1.26 -4.96 113.70 119.13 1whg s SER 34 Ca 0.07 2.85 -0.27 0.00 1.31 0.00 0.00 55.95 59.90 1whg s SER 34 Cb -0.17 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 1whg s SER 34 CO -0.25 -0.93 0.90 -0.69 0.41 0.00 0.00 173.24 172.68 1whg s VAL 35 N -1.19 4.87 0.00 3.43 1.01 -1.26 -3.99 120.40 123.27 1whg s VAL 35 Ca 0.56 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1whg s VAL 35 Cb -0.42 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1whg s VAL 35 CO 0.56 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1whg n GLY 36 N 3.16 1.89 3.26 4.51 0.00 -0.36 -5.00 105.19 112.65 1whg n GLY 36 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.23 -0.28 1.61 0.01 -1.26 -4.90 113.70 109.12 1whg s SER 37 Ca 0.00 -0.76 -0.27 0.00 1.31 0.00 0.00 55.95 56.24 1whg s SER 37 Cb 0.00 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1whg s SER 37 CO 0.00 -0.06 0.94 -0.13 0.41 0.00 0.00 173.24 174.40 1whg s ARG 38 N -2.35 4.11 0.04 12.44 1.81 -1.26 -1.41 118.95 132.33 1whg s ARG 38 Ca 0.08 0.98 0.04 0.00 -1.72 0.00 0.00 55.73 55.11 1whg s ARG 38 Cb -0.07 -3.69 -0.02 0.00 -0.45 0.00 0.00 34.95 30.71 1whg s ARG 38 CO 0.04 -0.70 -0.12 0.00 -0.68 0.00 0.00 175.30 173.84 1whg s GLU 40 N -1.22 1.85 -0.04 0.00 2.02 0.28 -2.63 118.70 118.96 1whg s GLU 40 Ca -0.01 0.31 -0.00 0.00 0.02 0.00 0.00 54.97 55.29 1whg s GLU 40 Cb -0.08 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.26 1whg s GLU 40 CO 0.01 -1.71 0.01 0.08 0.02 0.00 0.00 175.26 173.67 1whg s VAL 41 N -3.38 0.12 -0.18 2.63 1.01 -0.10 -1.18 120.40 119.33 1whg s VAL 41 Ca 0.62 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1whg s VAL 41 Cb -0.13 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1whg s VAL 41 CO 0.52 0.16 -0.07 -0.60 0.00 0.00 0.00 175.10 175.10 1whg s ARG 42 N 1.36 1.69 0.12 2.72 3.52 -0.20 -2.54 118.95 125.62 1whg s ARG 42 Ca -0.05 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.67 1whg s ARG 42 Cb -0.13 -2.19 0.06 0.00 -1.56 0.00 0.00 34.95 31.13 1whg s ARG 42 CO -0.03 -0.43 0.56 0.00 -0.81 0.00 0.00 175.30 174.59 1whg s ALA 43 N 1.53 -1.44 -0.86 6.12 0.00 -1.26 -4.67 121.76 121.18 1whg s ALA 43 Ca -0.00 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1whg s ALA 43 Cb -0.16 0.69 -0.08 0.00 0.00 0.00 0.00 23.12 23.57 1whg s ALA 43 CO -0.08 -0.67 2.03 -0.35 0.00 0.00 0.00 175.76 176.70 1whg n PRO 44 N -0.10 1.88 0.00 0.00 -0.04 -1.26 -3.77 135.00 131.70 1whg n PRO 44 Ca -0.17 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1whg n PRO 44 Cb 0.63 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 5.16 0.15 0.00 3.54 9.92 -1.26 -5.09 116.55 128.97 1whg n ASP 45 Ca 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1whg n ASP 45 Cb 0.21 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1whg n HIS 46 N -2.72 -0.81 -3.52 1.24 -0.00 -1.25 -5.19 115.22 102.98 1whg n HIS 46 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1whg n HIS 46 Cb 0.27 0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1whg n HIS 46 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1whg n SER 47 N -1.90 0.00 -4.67 0.26 7.64 -1.26 -5.06 113.62 108.63 1whg n SER 47 Ca 0.00 -0.89 -0.43 0.00 1.01 0.00 0.00 58.87 58.56 1whg n SER 47 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1whg s LEU 48 N 0.00 4.25 0.23 -3.43 1.43 -1.26 -4.65 118.68 115.25 1whg s LEU 48 Ca 0.00 1.91 0.10 0.00 -1.03 0.00 0.00 54.13 55.11 1whg s LEU 48 Cb 0.00 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1whg s LEU 48 CO 0.00 -0.78 -0.18 -0.13 0.23 0.00 0.00 176.35 175.49 1whg s ARG 49 N 3.32 1.48 -0.13 1.70 1.81 -1.05 -4.93 118.95 121.15 1whg s ARG 49 Ca 0.61 -1.62 0.01 0.00 -1.72 0.00 0.00 55.73 53.01 1whg s ARG 49 Cb -0.26 -1.50 -0.01 0.00 -0.45 0.00 0.00 34.95 32.73 1whg s ARG 49 CO 0.21 0.28 -0.16 1.03 -0.68 0.00 0.00 175.30 175.98 1whg s ARG 50 N -3.32 3.25 0.00 3.54 1.81 -1.26 -0.92 118.95 122.04 1whg s ARG 50 Ca 0.24 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1whg s ARG 50 Cb -0.04 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1whg s ARG 50 CO 0.10 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1whg n GLY 51 N 3.73 5.33 3.31 -3.53 0.00 -1.08 -4.14 105.19 108.81 1whg n GLY 51 Ca -0.19 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 1.94 0.03 0.02 2.61 2.01 -0.85 -3.22 115.64 118.17 1whg s THR 52 Ca 0.00 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1whg s THR 52 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1whg s THR 52 CO 0.00 -0.11 1.02 -0.69 -0.69 0.00 0.00 174.62 174.15 1whg s VAL 53 N -0.64 4.67 0.00 3.82 1.01 -0.50 -0.78 120.40 127.98 1whg s VAL 53 Ca -0.07 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1whg s VAL 53 Cb -0.04 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1whg s VAL 53 CO 0.03 0.17 0.00 0.23 0.00 0.00 0.00 175.10 175.53 1whg n MET 54 N 3.79 0.00 -3.97 2.72 2.81 -0.91 -1.22 117.12 120.34 1whg n MET 54 Ca 0.06 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.84 1whg n MET 54 Cb 0.50 -0.82 -0.12 0.00 -0.71 0.00 0.00 33.22 32.06 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 0.25 -0.18 2.03 6.14 -1.26 -4.90 117.35 117.44 1whg s TYR 55 Ca 0.00 -0.31 -0.08 0.00 0.64 0.00 0.00 57.07 57.32 1whg s TYR 55 Cb 0.00 -0.17 0.07 0.00 0.42 0.00 0.00 41.96 42.28 1whg s TYR 55 CO 0.00 -0.10 0.40 0.08 0.64 0.00 0.00 175.55 176.58 1whg s VAL 56 N -0.85 -0.32 -4.69 3.14 1.01 -1.26 -0.47 120.40 116.96 1whg s VAL 56 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1whg s VAL 56 Cb -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1whg s VAL 56 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1whg n GLY 57 N 4.82 -0.29 3.87 4.51 0.00 -1.00 -4.97 105.19 112.12 1whg n GLY 57 Ca -0.16 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.82 0.00 0.99 1.43 -1.26 -1.01 118.68 122.65 1whg s LEU 58 Ca 0.00 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1whg s LEU 58 Cb 0.00 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 1whg s LEU 58 CO 0.00 -0.41 0.10 0.35 0.23 0.00 0.00 176.35 176.62 1whg n THR 59 N -1.26 0.00 -0.02 5.49 -2.24 -1.26 -4.93 114.28 110.06 1whg n THR 59 Ca 0.03 -1.61 -0.03 0.00 -2.27 0.00 0.00 64.05 60.17 1whg n THR 59 Cb 0.54 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1whg n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1whg n ASP 60 N -1.71 3.65 0.25 3.42 9.92 -1.26 -4.64 116.55 126.18 1whg n ASP 60 Ca -0.04 -0.02 0.11 0.00 -0.53 0.00 0.00 54.79 54.31 1whg n ASP 60 Cb 0.41 -0.05 0.73 0.00 -0.64 0.00 0.00 41.12 41.57 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1whg h PHE 61 N 0.00 0.00 -2.65 1.24 -0.00 -1.97 -3.43 116.94 110.13 1whg h PHE 61 Ca -0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.77 1whg h PHE 61 Cb 1.16 0.00 -0.20 0.00 -0.00 0.00 0.00 35.95 36.91 1whg h PHE 61 CO 0.01 0.00 -0.12 0.15 -0.00 0.00 0.00 178.31 178.35 1whg s LYS 62 N -4.93 0.76 1.06 6.09 1.02 -1.26 -4.89 119.74 117.59 1whg s LYS 62 Ca -0.05 0.10 -0.15 0.00 0.02 0.00 0.00 55.97 55.89 1whg s LYS 62 Cb 0.17 0.35 0.22 0.00 -0.52 0.00 0.00 37.83 38.05 1whg s LYS 62 CO 0.63 -0.20 1.13 -1.25 -0.92 0.00 0.00 175.35 174.74 1whg s PRO 63 N -0.98 -0.09 0.09 -1.68 0.04 -1.26 -4.25 135.00 126.86 1whg s PRO 63 Ca -0.10 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1whg s PRO 63 Cb -0.03 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1whg s PRO 63 CO 0.05 -3.00 0.00 0.41 0.04 0.00 0.00 177.00 174.50 1whg n GLY 64 N -1.45 -1.71 3.89 0.56 0.00 -1.26 -4.92 105.19 100.30 1whg n GLY 64 Ca 0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.72 3.38 0.13 1.61 2.02 -1.26 -4.07 117.35 117.45 1whg s TYR 65 Ca 0.00 1.03 -0.07 0.00 -0.37 0.00 0.00 57.07 57.65 1whg s TYR 65 Cb 0.00 -2.92 -0.01 0.00 -0.40 0.00 0.00 41.96 38.63 1whg s TYR 65 CO 0.00 -0.99 0.20 -1.58 -1.57 0.00 0.00 175.55 171.61 1whg s TRP 66 N -3.24 0.40 -0.18 2.71 0.52 -0.18 -4.73 118.94 114.23 1whg s TRP 66 Ca 0.56 -0.80 -0.05 0.00 0.02 0.00 0.00 56.10 55.84 1whg s TRP 66 Cb -0.11 -0.14 0.07 0.00 -1.15 0.00 0.00 33.47 32.14 1whg s TRP 66 CO 0.51 -0.62 0.13 0.08 0.02 0.00 0.00 176.95 177.07 1whg s VAL 67 N -3.95 -0.15 0.04 4.03 1.01 0.28 -2.38 120.40 119.27 1whg s VAL 67 Ca 0.14 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1whg s VAL 67 Cb 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 1whg s VAL 67 CO -0.04 -0.28 1.37 -0.83 0.00 0.00 0.00 175.10 175.32 1whg s GLY 68 N 2.19 1.96 -0.22 4.51 0.00 0.38 -2.18 107.32 113.96 1whg s GLY 68 Ca 0.04 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.71 1whg s GLY 68 CO -0.11 2.40 -0.13 0.14 0.00 0.00 0.00 173.10 175.40 1whg s VAL 69 N 1.87 1.98 -0.49 1.40 1.01 0.19 -2.13 120.40 124.23 1whg s VAL 69 Ca 0.63 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1whg s VAL 69 Cb -0.32 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1whg s VAL 69 CO 0.28 0.16 0.72 -0.60 0.00 0.00 0.00 175.10 175.66 1whg s ARG 70 N 1.24 3.24 0.63 2.72 3.52 0.04 -1.28 118.95 129.05 1whg s ARG 70 Ca -0.03 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.93 1whg s ARG 70 Cb -0.17 -4.03 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 1whg s ARG 70 CO -0.08 -1.22 1.02 0.71 -0.81 0.00 0.00 175.30 174.93 1whg s TYR 71 N 3.05 3.55 0.01 5.12 2.02 -0.97 -2.01 117.35 128.12 1whg s TYR 71 Ca 0.22 1.18 0.06 0.00 -0.37 0.00 0.00 57.07 58.16 1whg s TYR 71 Cb -0.16 -2.77 -0.24 0.00 -0.40 0.00 0.00 41.96 38.40 1whg s TYR 71 CO 0.16 -0.77 0.89 -0.44 -1.57 0.00 0.00 175.55 173.82 1whg h ASP 72 N -0.35 0.12 -1.92 2.29 5.19 -1.89 -3.45 116.42 116.41 1whg h ASP 72 Ca -0.44 -0.18 -0.46 0.00 -0.62 0.00 0.00 57.03 55.32 1whg h ASP 72 Cb 1.21 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1whg h ASP 72 CO 0.62 1.15 -0.40 -1.61 -3.12 0.00 0.00 179.24 175.88 1whg s GLU 73 N -2.63 3.05 -1.09 3.56 2.02 -1.26 -5.00 118.70 117.35 1whg s GLU 73 Ca -0.05 -1.05 -0.22 0.00 0.02 0.00 0.00 54.97 53.67 1whg s GLU 73 Cb 0.08 -2.72 -0.10 0.00 0.10 0.00 0.00 34.13 31.49 1whg s GLU 73 CO 0.83 0.17 1.93 -0.35 0.02 0.00 0.00 175.26 177.85 1whg n PRO 74 N -1.48 1.60 -2.30 0.39 -0.04 -1.26 -4.44 135.00 127.45 1whg n PRO 74 Ca -0.03 -2.33 0.01 0.00 -0.04 0.00 0.00 63.50 61.11 1whg n PRO 74 Cb 0.58 -3.53 0.04 0.00 -0.04 0.00 0.00 33.50 30.55 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1whg n LEU 75 N 12.69 1.01 0.00 1.53 4.77 -1.07 -4.98 117.00 130.95 1whg n LEU 75 Ca 0.46 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1whg n LEU 75 Cb 0.45 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1whg n LEU 75 CO 0.77 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.38 1whg n GLY 76 N -0.30 2.56 1.77 -0.72 0.00 0.20 -4.83 105.19 103.88 1whg n GLY 76 Ca 0.03 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.36 0.00 -0.66 1.61 5.02 -1.26 -4.45 118.16 118.07 1whg n LYS 77 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1whg n LYS 77 Cb 0.00 -0.04 0.10 0.00 -0.02 0.00 0.00 35.03 35.07 1whg n LYS 77 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1whg n ASN 78 N -2.84 -0.76 -0.92 4.39 3.02 -1.23 -3.71 115.26 113.22 1whg n ASN 78 Ca 0.00 -1.00 0.04 0.00 -0.03 0.00 0.00 54.58 53.59 1whg n ASN 78 Cb 0.00 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1whg n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1whg n ASP 79 N -3.63 0.96 0.00 6.41 5.68 -1.26 -1.50 116.55 123.21 1whg n ASP 79 Ca 0.07 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 1whg n ASP 79 Cb 0.26 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whg n GLY 80 N -0.09 2.80 3.30 6.12 0.00 -1.26 -4.54 105.19 111.51 1whg n GLY 80 Ca 0.07 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 0.52 3.40 -0.09 1.61 0.01 -1.26 -1.87 113.70 116.02 1whg s SER 81 Ca 0.00 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 1whg s SER 81 Cb 0.00 -1.21 0.04 0.00 0.21 0.00 0.00 66.02 65.06 1whg s SER 81 CO 0.00 0.21 0.07 -0.69 0.41 0.00 0.00 173.24 173.24 1whg s VAL 82 N 0.07 -0.08 -1.73 3.43 1.01 -0.13 -4.82 120.40 118.14 1whg s VAL 82 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1whg s VAL 82 Cb -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1whg s VAL 82 CO 0.06 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.76 1whg n ASN 83 N 5.29 -5.53 0.00 3.32 5.03 -1.26 -1.63 115.26 120.48 1whg n ASN 83 Ca -0.05 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1whg n ASN 83 Cb 0.50 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.66 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 -0.94 2.93 3.68 7.41 0.00 -1.26 -5.02 105.19 111.99 1whg n GLY 84 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.09 4.29 0.11 1.61 2.36 -0.65 -5.02 119.74 122.36 1whg s LYS 85 Ca 0.00 1.78 0.02 0.00 -2.55 0.00 0.00 55.97 55.22 1whg s LYS 85 Cb 0.00 -3.65 -0.04 0.00 -1.05 0.00 0.00 37.83 33.09 1whg s LYS 85 CO 0.00 -0.58 0.25 0.50 1.55 0.00 0.00 175.35 177.07 1whg s ARG 86 N 2.76 3.43 0.00 4.03 3.52 -1.26 -0.95 118.95 130.47 1whg s ARG 86 Ca 0.59 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1whg s ARG 86 Cb -0.26 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1whg s ARG 86 CO 0.22 0.56 0.00 0.66 -0.81 0.00 0.00 175.30 175.92 1whg n TYR 87 N -0.20 0.00 -4.16 5.12 4.02 -0.78 -5.02 117.16 116.14 1whg n TYR 87 Ca -0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.70 1whg n TYR 87 Cb 0.53 0.32 -0.05 0.00 -0.02 0.00 0.00 39.34 40.12 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 -2.53 -0.63 -3.81 -0.72 -1.74 -1.25 -4.72 117.46 102.06 1whg n PHE 88 Ca 0.00 -1.93 -0.30 0.00 -0.56 0.00 0.00 57.45 54.66 1whg n PHE 88 Cb 0.14 0.23 -0.14 0.00 1.52 0.00 0.00 39.48 41.22 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 -2.90 1.20 0.18 3.97 8.01 -1.26 -4.67 118.70 123.22 1whg s GLU 89 Ca 0.27 -1.72 -0.16 0.00 0.01 0.00 0.00 54.97 53.38 1whg s GLU 89 Cb 0.01 -2.51 0.02 0.00 -4.31 0.00 0.00 34.13 27.34 1whg s GLU 89 CO 0.19 -1.05 0.46 0.00 0.01 0.00 0.00 175.26 174.87 1whg n GLN 91 N -0.30 -1.92 -2.40 0.00 1.13 -1.26 -4.51 117.38 108.12 1whg n GLN 91 Ca -0.10 -0.52 -0.30 0.00 -1.94 0.00 0.00 57.00 54.13 1whg n GLN 91 Cb 0.63 -2.18 -0.01 0.00 0.11 0.00 0.00 30.24 28.78 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 -2.45 3.22 -1.60 -1.58 0.00 -1.26 -3.97 121.76 114.13 1whg s ALA 92 Ca 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1whg s ALA 92 Cb -0.24 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1whg s ALA 92 CO 0.64 -0.34 0.26 1.63 0.00 0.00 0.00 175.76 177.94 1whg n LYS 93 N -2.02 -2.94 0.02 0.00 5.02 -0.56 -4.82 118.16 112.86 1whg n LYS 93 Ca 0.04 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1whg n LYS 93 Cb 0.54 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.21 -0.24 -3.09 2.13 4.01 -1.25 0.63 117.16 115.14 1whg n TYR 94 Ca -0.18 0.04 -0.45 0.00 -0.16 0.00 0.00 57.90 57.16 1whg n TYR 94 Cb 0.65 0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 39.94 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 -4.94 1.76 0.47 2.72 0.00 -1.26 -2.29 107.32 103.78 1whg s GLY 95 Ca 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 44.72 42.38 1whg s GLY 95 CO 0.00 1.63 0.84 0.00 0.00 0.00 0.00 173.10 175.57 1whg s ALA 96 N 2.76 3.29 -0.42 3.20 0.00 -0.40 -3.48 121.76 126.71 1whg s ALA 96 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1whg s ALA 96 Cb -0.22 -2.78 0.10 0.00 0.00 0.00 0.00 23.12 20.22 1whg s ALA 96 CO 0.06 -0.23 0.23 -0.06 0.00 0.00 0.00 175.76 175.75 1whg s PHE 97 N -2.63 3.48 0.56 0.00 0.08 -1.26 -0.64 117.98 117.58 1whg s PHE 97 Ca 0.52 -2.08 0.05 0.00 0.12 0.00 0.00 56.93 55.54 1whg s PHE 97 Cb -0.10 -3.15 0.05 0.00 -0.57 0.00 0.00 43.02 39.25 1whg s PHE 97 CO 0.38 -0.94 0.45 0.14 -0.10 0.00 0.00 175.22 175.15 1whg s VAL 98 N 1.25 1.57 0.12 -0.44 -7.23 -0.93 -4.87 120.40 109.87 1whg s VAL 98 Ca 0.06 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1whg s VAL 98 Cb -0.23 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1whg s VAL 98 CO -0.02 0.00 0.18 -0.54 -0.31 0.00 0.00 175.10 174.41 1whg s LYS 99 N -4.34 3.17 0.19 4.82 -0.14 -1.26 0.10 119.74 122.28 1whg s LYS 99 Ca 0.35 -0.66 -0.20 0.00 -1.36 0.00 0.00 55.97 54.10 1whg s LYS 99 Cb -0.03 -2.85 0.14 0.00 -1.68 0.00 0.00 37.83 33.41 1whg s LYS 99 CO 0.22 0.54 1.59 -1.35 -0.76 0.00 0.00 175.35 175.59 1whg h PRO 100 N 2.67 -0.14 -0.13 -1.68 0.11 -1.87 1.60 132.00 132.55 1whg h PRO 100 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whg h PRO 100 Cb 1.18 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1whg h PRO 100 CO 0.68 -0.10 0.21 0.66 -0.21 0.00 0.00 178.00 179.25 1whg h SER 101 N -0.15 0.00 0.47 -2.05 4.64 -1.94 0.78 113.55 115.31 1whg h SER 101 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1whg h SER 101 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1whg h SER 101 CO -0.68 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 174.52 1whg n ALA 102 N -2.21 3.54 -2.80 5.18 0.00 0.50 -4.85 120.51 119.88 1whg n ALA 102 Ca 0.01 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.72 1whg n ALA 102 Cb 0.32 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.09 4.96 -0.26 0.00 1.01 0.27 -1.03 120.40 122.26 1whg s VAL 103 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1whg s VAL 103 Cb 0.16 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1whg s VAL 103 CO 0.76 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 175.41 1whg s THR 104 N 0.38 3.28 -0.18 3.92 2.01 -0.32 -4.85 115.64 119.87 1whg s THR 104 Ca 0.04 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 1whg s THR 104 Cb -0.12 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1whg s THR 104 CO -0.00 0.18 1.11 -0.69 -0.69 0.00 0.00 174.62 174.52 1whg s VAL 105 N 1.39 4.55 -0.18 3.82 1.01 -1.26 0.99 120.40 130.73 1whg s VAL 105 Ca 0.01 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 1whg s VAL 105 Cb -0.17 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 1whg s VAL 105 CO -0.02 -0.13 0.31 1.23 0.00 0.00 0.00 175.10 176.49 1whg h GLY 106 N 9.25 0.09 -5.60 4.51 0.00 -1.91 -3.48 103.07 105.91 1whg h GLY 106 Ca -0.24 -0.22 -0.35 0.00 0.00 0.00 0.00 47.33 46.53 1whg h GLY 106 CO 0.95 0.19 -0.76 -0.35 0.00 0.00 0.00 176.54 176.58 1whg s ASP 107 N -6.87 0.68 0.12 0.19 2.15 -1.25 -5.12 116.67 106.56 1whg s ASP 107 Ca -0.26 -0.10 -0.22 0.00 0.43 0.00 0.00 52.55 52.40 1whg s ASP 107 Cb 0.05 -0.15 0.06 0.00 -0.30 0.00 0.00 42.92 42.58 1whg s ASP 107 CO 0.65 0.03 0.54 -0.55 -0.17 0.00 0.00 175.17 175.67 1whg s SER 108 N 0.16 -0.47 0.00 -0.34 0.15 -1.26 -4.54 113.70 107.40 1whg s SER 108 Ca -0.02 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1whg s SER 108 Cb -0.05 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1whg s SER 108 CO -0.00 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1whg n GLY 109 N -0.12 1.18 3.68 9.45 0.00 -1.26 -4.94 105.19 113.18 1whg n GLY 109 Ca -0.17 -1.64 -0.50 0.00 0.00 0.00 0.00 46.02 43.71 1whg n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whg n PRO 110 N 1.31 1.87 -3.87 1.61 -0.02 -1.26 -4.94 135.00 129.70 1whg n PRO 110 Ca 0.00 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1whg n PRO 110 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1whg n PRO 110 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whg s SER 111 N 3.08 0.08 0.13 2.55 0.15 -1.26 -5.11 113.70 113.32 1whg s SER 111 Ca 0.91 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1whg s SER 111 Cb -0.79 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1whg s SER 111 CO 0.52 -1.55 0.00 -1.20 1.20 0.00 0.00 173.24 172.21 1whg n SER 112 N -1.19 -0.65 -0.05 5.45 7.64 -1.26 -5.23 113.62 118.33 1whg n SER 112 Ca -0.06 0.23 0.01 0.00 1.01 0.00 0.00 58.87 60.06 1whg n SER 112 Cb 0.60 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64