#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 1.92 -4.00 1.61 3.41 -1.26 -4.99 113.62 110.31 1whg n SER 2 Ca 0.00 0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 58.68 1whg n SER 2 Cb 0.00 -0.87 0.24 0.00 -0.26 0.00 0.00 64.21 63.31 1whg n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1whg s SER 3 N -7.23 0.87 0.00 4.04 1.04 -1.26 -4.72 113.70 106.44 1whg s SER 3 Ca -0.35 0.88 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1whg s SER 3 Cb 0.11 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.93 1whg s SER 3 CO 0.53 -4.18 0.00 0.61 0.98 0.00 0.00 173.24 171.18 1whg n GLY 4 N -0.34 1.71 3.03 7.32 0.00 -1.26 -5.03 105.19 110.62 1whg n GLY 4 Ca 0.10 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1whg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whg s SER 5 N -4.00 2.51 0.17 1.61 0.15 -1.26 -5.11 113.70 107.77 1whg s SER 5 Ca 0.00 -0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 1whg s SER 5 Cb 0.00 -1.10 0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1whg s SER 5 CO 0.00 -0.02 0.53 -0.24 1.20 0.00 0.00 173.24 174.71 1whg n SER 6 N 4.47 -1.17 0.03 5.45 2.88 -1.26 -5.12 113.62 118.90 1whg n SER 6 Ca -0.18 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1whg n SER 6 Cb 0.51 1.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.90 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 -0.37 -1.72 2.52 0.46 0.00 -1.26 -5.13 105.19 99.69 1whg n GLY 7 Ca -0.03 0.41 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 1whg n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whg n ASN 8 N -2.63 -1.29 -0.04 1.61 3.02 -1.26 -5.01 115.26 109.66 1whg n ASN 8 Ca 0.00 1.36 -0.06 0.00 -0.03 0.00 0.00 54.58 55.85 1whg n ASN 8 Cb 0.00 -5.13 -0.05 0.00 -0.61 0.00 0.00 39.78 33.99 1whg n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whg n GLU 9 N 1.67 1.44 0.02 3.52 1.02 -1.26 -4.65 120.64 122.40 1whg n GLU 9 Ca -0.37 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 56.74 1whg n GLU 9 Cb 0.58 -1.20 -0.11 0.00 -0.02 0.00 0.00 31.44 30.68 1whg n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1whg h GLU 10 N 0.00 0.00 -0.03 3.49 5.08 -2.04 -3.31 114.58 117.77 1whg h GLU 10 Ca -0.22 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1whg h GLU 10 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1whg h GLU 10 CO -0.01 0.62 0.10 1.25 -1.00 0.00 0.00 179.01 179.96 1whg h LEU 11 N 0.00 0.00 -1.97 1.33 5.85 -1.97 -2.01 115.31 116.54 1whg h LEU 11 Ca -0.16 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.82 1whg h LEU 11 Cb 1.82 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.82 1whg h LEU 11 CO 0.09 0.00 0.65 -0.09 -0.34 0.00 0.00 178.44 178.75 1whg h ARG 12 N 0.00 0.02 0.02 1.25 9.65 -1.83 0.37 114.38 123.86 1whg h ARG 12 Ca 0.01 -0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.64 1whg h ARG 12 Cb 0.21 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1whg h ARG 12 CO -0.00 0.01 -1.29 0.00 2.80 0.00 0.00 179.97 181.50 1whg h ALA 13 N 1.55 0.47 0.00 2.80 0.00 -1.64 -3.30 119.26 119.13 1whg h ALA 13 Ca 0.43 -1.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1whg h ALA 13 Cb 1.71 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1whg h ALA 13 CO -0.02 1.33 -0.45 1.96 0.00 0.00 0.00 179.25 182.08 1whg h GLN 14 N 0.01 0.00 -1.03 0.00 1.08 -0.47 -3.02 115.11 111.69 1whg h GLN 14 Ca -0.12 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.59 1whg h GLN 14 Cb 1.88 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 29.04 1whg h GLN 14 CO 0.12 0.45 0.62 1.04 -0.95 0.00 0.00 178.83 180.11 1whg n GLN 15 N -3.60 2.18 -0.05 1.46 6.02 -0.17 -3.44 117.38 119.79 1whg n GLN 15 Ca -0.00 -2.70 -0.08 0.00 -0.01 0.00 0.00 57.00 54.21 1whg n GLN 15 Cb 0.55 -2.06 -0.04 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.87 0.24 -0.09 -1.09 1.02 -1.14 -4.56 120.64 114.15 1whg n GLU 16 Ca 0.53 0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 57.59 1whg n GLU 16 Cb 1.33 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 31.53 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 -2.90 1.72 0.25 0.62 0.00 -1.26 -4.34 120.51 114.59 1whg n ALA 17 Ca -0.18 -0.72 0.08 0.00 0.00 0.00 0.00 53.44 52.62 1whg n ALA 17 Cb 0.68 0.17 0.61 0.00 0.00 0.00 0.00 19.45 20.92 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 -0.25 0.00 -0.67 0.00 4.39 -1.87 -0.67 114.58 115.50 1whg h GLU 18 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1whg h GLU 18 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1whg h GLU 18 CO -0.14 0.09 0.00 0.00 -1.16 0.00 0.00 179.01 177.79 1whg n ALA 19 N -2.49 3.36 -2.14 3.43 0.00 -1.26 -3.99 120.51 117.42 1whg n ALA 19 Ca -0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 53.44 52.07 1whg n ALA 19 Cb 0.17 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 0.55 2.59 0.07 0.00 0.00 -0.32 -4.84 120.51 118.56 1whg n ALA 20 Ca 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1whg n ALA 20 Cb 0.87 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1whg n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1whg n GLN 21 N 0.14 0.00 0.03 0.00 -0.06 -0.85 -4.69 117.38 111.94 1whg n GLN 21 Ca -0.06 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.86 1whg n GLN 21 Cb 0.78 -0.08 0.09 0.00 -4.06 0.00 0.00 30.24 26.97 1whg n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whg h ARG 22 N 0.00 0.46 -0.94 3.69 2.47 -1.82 -3.02 114.38 115.22 1whg h ARG 22 Ca 0.00 -0.28 -0.49 0.00 -1.26 0.00 0.00 59.98 57.95 1whg h ARG 22 Cb 0.00 0.03 -0.29 0.00 -1.65 0.00 0.00 29.97 28.06 1whg h ARG 22 CO 0.00 0.87 0.59 -0.11 0.56 0.00 0.00 179.97 181.89 1whg n LEU 23 N -3.95 6.53 0.08 3.04 7.94 -1.26 -4.45 117.00 124.92 1whg n LEU 23 Ca -0.03 -3.64 -0.09 0.00 -1.11 0.00 0.00 56.01 51.15 1whg n LEU 23 Cb 0.59 -0.82 -0.00 0.00 0.53 0.00 0.00 43.42 43.71 1whg n LEU 23 CO 0.46 1.08 0.26 0.77 -1.11 0.00 0.00 177.39 178.84 1whg h SER 24 N 1.01 0.31 -0.48 1.96 4.64 -1.80 -3.10 113.55 116.09 1whg h SER 24 Ca 0.60 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.61 1whg h SER 24 Cb 2.75 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 64.72 1whg h SER 24 CO 1.05 1.03 0.03 -0.33 -0.87 0.00 0.00 176.83 177.74 1whg h GLU 25 N 0.14 0.82 -0.77 4.77 5.08 -1.82 -2.56 114.58 120.23 1whg h GLU 25 Ca -0.05 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1whg h GLU 25 Cb 1.48 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1whg h GLU 25 CO 0.13 0.86 0.43 0.93 -1.00 0.00 0.00 179.01 180.36 1whg h GLU 26 N 0.69 1.08 -0.86 2.33 5.08 -1.88 -2.26 114.58 118.75 1whg h GLU 26 Ca 0.14 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1whg h GLU 26 Cb 0.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1whg h GLU 26 CO 0.02 0.79 0.51 -0.22 -1.00 0.00 0.00 179.01 179.11 1whg h LYS 27 N 1.07 1.18 -0.44 2.33 3.64 -1.44 0.28 116.57 123.18 1whg h LYS 27 Ca 0.27 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1whg h LYS 27 Cb 0.03 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1whg h LYS 27 CO -0.04 0.84 0.22 0.00 -2.27 0.00 0.00 179.45 178.19 1whg h ALA 28 N 1.27 0.56 -0.04 5.00 0.00 -1.04 0.55 119.26 125.56 1whg h ALA 28 Ca 0.31 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1whg h ALA 28 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1whg h ALA 28 CO -0.06 0.11 -0.64 1.96 0.00 0.00 0.00 179.25 180.63 1whg h GLN 29 N 0.57 0.16 0.00 0.00 4.20 -1.08 -3.02 115.11 115.94 1whg h GLN 29 Ca 0.15 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 1whg h GLN 29 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1whg h GLN 29 CO -0.02 0.75 -0.50 0.00 -0.67 0.00 0.00 178.83 178.39 1whg h ALA 30 N 1.22 0.94 -0.87 3.87 0.00 -0.13 -3.01 119.26 121.29 1whg h ALA 30 Ca -0.01 -0.45 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 1whg h ALA 30 Cb 1.15 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 1whg h ALA 30 CO 0.09 0.62 0.58 0.45 0.00 0.00 0.00 179.25 181.00 1whg n SER 31 N -3.61 3.81 0.00 0.00 2.88 0.15 -4.26 113.62 112.60 1whg n SER 31 Ca -0.00 -3.40 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 1whg n SER 31 Cb 0.58 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 -0.91 2.57 -1.95 -1.46 0.00 -1.14 -4.97 120.51 112.65 1whg n ALA 32 Ca 0.52 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.72 1whg n ALA 32 Cb 1.48 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 21.12 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 -1.78 3.35 0.79 0.00 1.01 -1.19 -4.94 121.20 118.45 1whg s ILE 33 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1whg s ILE 33 Cb 0.00 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.75 1whg s ILE 33 CO 0.00 -0.75 1.20 -1.20 0.00 0.00 0.00 174.94 174.19 1whg n SER 34 N 14.99 1.09 -4.76 3.58 7.64 -1.26 -4.91 113.62 130.00 1whg n SER 34 Ca 0.42 0.61 -0.39 0.00 1.01 0.00 0.00 58.87 60.51 1whg n SER 34 Cb 0.46 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 1whg n SER 34 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1whg s VAL 35 N -2.05 4.80 0.00 0.44 1.01 -1.26 -4.15 120.40 119.19 1whg s VAL 35 Ca 0.74 1.42 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1whg s VAL 35 Cb -0.30 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1whg s VAL 35 CO 0.50 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1whg n GLY 36 N 2.33 1.13 3.17 4.51 0.00 0.43 -5.00 105.19 111.75 1whg n GLY 36 Ca -0.05 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.43 1.45 -0.23 1.61 0.01 -1.26 -4.92 113.70 107.93 1whg s SER 37 Ca 0.00 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 56.29 1whg s SER 37 Cb 0.00 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 1whg s SER 37 CO 0.00 -0.23 0.67 -0.13 0.41 0.00 0.00 173.24 173.97 1whg s ARG 38 N -2.53 4.16 0.08 12.44 1.81 -1.26 -1.43 118.95 132.22 1whg s ARG 38 Ca 0.03 0.65 0.00 0.00 -1.72 0.00 0.00 55.73 54.70 1whg s ARG 38 Cb -0.05 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.79 1whg s ARG 38 CO 0.00 -0.38 -0.03 0.00 -0.68 0.00 0.00 175.30 174.21 1whg s GLU 40 N -3.90 3.64 0.04 0.00 2.02 0.15 -2.19 118.70 118.45 1whg s GLU 40 Ca 0.11 -0.02 0.08 0.00 0.02 0.00 0.00 54.97 55.16 1whg s GLU 40 Cb 0.07 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1whg s GLU 40 CO -0.06 0.56 -0.24 0.08 0.02 0.00 0.00 175.26 175.62 1whg s VAL 41 N -1.45 1.92 -0.19 2.63 1.01 -0.82 -0.34 120.40 123.16 1whg s VAL 41 Ca 0.34 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1whg s VAL 41 Cb -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1whg s VAL 41 CO 0.20 0.31 -0.09 -0.60 0.00 0.00 0.00 175.10 174.92 1whg s ARG 42 N -1.15 1.92 0.03 2.72 3.52 -0.98 -2.52 118.95 122.49 1whg s ARG 42 Ca 0.10 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1whg s ARG 42 Cb -0.09 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1whg s ARG 42 CO 0.02 -0.43 -0.04 0.00 -0.81 0.00 0.00 175.30 174.04 1whg s ALA 43 N 1.44 0.25 -1.07 6.12 0.00 -1.26 -4.86 121.76 122.38 1whg s ALA 43 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 1whg s ALA 43 Cb -0.16 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 1whg s ALA 43 CO -0.08 -0.17 2.76 -0.35 0.00 0.00 0.00 175.76 177.92 1whg n PRO 44 N 1.34 2.80 0.00 0.00 -0.04 -1.26 -3.87 135.00 133.97 1whg n PRO 44 Ca -0.22 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1whg n PRO 44 Cb 0.56 -2.51 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 -3.47 -0.04 0.00 0.00 175.50 171.99 1whg n ASP 45 N 3.53 3.34 0.16 3.54 -0.08 -1.26 -5.05 116.55 120.73 1whg n ASP 45 Ca 0.60 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 1whg n ASP 45 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1whg n HIS 46 N -2.46 -3.93 -3.93 -0.67 -0.00 -1.25 -5.18 115.22 97.80 1whg n HIS 46 Ca 0.00 1.07 0.01 0.00 0.46 0.00 0.00 57.72 59.26 1whg n HIS 46 Cb 0.46 2.80 0.01 0.00 -0.12 0.00 0.00 29.99 33.14 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 -3.14 -0.66 -4.73 0.26 3.41 -1.26 -5.09 113.62 102.41 1whg n SER 47 Ca 0.00 -1.14 -0.37 0.00 -0.26 0.00 0.00 58.87 57.10 1whg n SER 47 Cb 0.00 1.02 0.06 0.00 -0.26 0.00 0.00 64.21 65.03 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 3.61 0.06 1.04 1.43 -1.26 -4.60 118.68 118.96 1whg s LEU 48 Ca 0.16 2.64 -0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1whg s LEU 48 Cb -0.00 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 1whg s LEU 48 CO -0.00 -1.94 0.06 -0.13 0.23 0.00 0.00 176.35 174.57 1whg s ARG 49 N -3.32 0.68 -0.30 1.70 1.81 -1.05 -4.98 118.95 113.49 1whg s ARG 49 Ca 0.81 -1.05 -0.08 0.00 -1.72 0.00 0.00 55.73 53.69 1whg s ARG 49 Cb -0.38 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.38 1whg s ARG 49 CO 0.40 -0.17 0.10 1.03 -0.68 0.00 0.00 175.30 175.99 1whg s ARG 50 N -3.65 3.21 0.00 3.54 1.81 -1.26 -1.94 118.95 120.66 1whg s ARG 50 Ca 0.04 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 1whg s ARG 50 Cb 0.05 -3.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1whg s ARG 50 CO -0.09 -0.41 0.00 0.41 -0.68 0.00 0.00 175.30 174.52 1whg n GLY 51 N 4.91 4.48 3.13 -3.53 0.00 -0.93 -4.08 105.19 109.16 1whg n GLY 51 Ca -0.14 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.34 1.05 -0.06 2.61 2.01 -1.03 -2.27 115.64 116.61 1whg s THR 52 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1whg s THR 52 Cb 0.00 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1whg s THR 52 CO 0.00 0.02 1.02 -0.69 -0.69 0.00 0.00 174.62 174.27 1whg s VAL 53 N -0.80 4.75 -0.01 3.82 1.01 -0.51 -2.62 120.40 126.04 1whg s VAL 53 Ca 0.01 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 1whg s VAL 53 Cb -0.07 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1whg s VAL 53 CO 0.01 0.07 -0.02 0.23 0.00 0.00 0.00 175.10 175.39 1whg n MET 54 N 4.57 0.03 -3.93 2.72 2.81 -0.84 -0.43 117.12 122.06 1whg n MET 54 Ca 0.08 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.87 1whg n MET 54 Cb 0.49 -0.87 -0.13 0.00 -0.71 0.00 0.00 33.22 32.01 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 -2.03 0.14 -0.24 2.03 6.14 -1.24 -4.85 117.35 117.30 1whg s TYR 55 Ca -0.02 -0.23 -0.03 0.00 0.64 0.00 0.00 57.07 57.43 1whg s TYR 55 Cb 0.01 -0.10 0.13 0.00 0.42 0.00 0.00 41.96 42.42 1whg s TYR 55 CO 0.03 -0.08 0.40 0.08 0.64 0.00 0.00 175.55 176.62 1whg s VAL 56 N -0.63 -0.64 0.00 3.14 1.01 -1.26 -0.71 120.40 121.31 1whg s VAL 56 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1whg s VAL 56 Cb -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1whg s VAL 56 CO -0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1whg n GLY 57 N 5.37 -0.38 3.63 4.51 0.00 -0.91 -4.99 105.19 112.42 1whg n GLY 57 Ca -0.04 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 2.75 0.27 0.99 1.43 -1.26 -1.65 118.68 121.20 1whg s LEU 58 Ca 0.00 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1whg s LEU 58 Cb 0.00 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1whg s LEU 58 CO 0.00 -0.53 0.20 0.42 0.23 0.00 0.00 176.35 176.68 1whg s THR 59 N -2.77 0.04 -0.09 5.49 -4.23 -1.25 -4.81 115.64 108.02 1whg s THR 59 Ca 0.30 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1whg s THR 59 Cb 0.09 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 1whg s THR 59 CO 0.15 0.00 -0.00 0.47 -0.54 0.00 0.00 174.62 174.70 1whg n ASP 60 N -0.95 3.05 0.11 3.99 8.00 -1.26 -4.59 116.55 124.90 1whg n ASP 60 Ca 0.04 -0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 1whg n ASP 60 Cb 0.64 0.49 0.25 0.00 -0.02 0.00 0.00 41.12 42.49 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 0.24 -3.90 1.24 -5.15 -1.94 -3.44 116.94 103.99 1whg h PHE 61 Ca -0.22 -0.06 -0.21 0.00 -0.20 0.00 0.00 57.97 57.28 1whg h PHE 61 Cb 1.47 -0.05 -0.24 0.00 0.22 0.00 0.00 35.95 37.34 1whg h PHE 61 CO 0.00 0.57 -0.71 0.15 -2.00 0.00 0.00 178.31 176.32 1whg s LYS 62 N -4.19 0.25 0.77 6.09 1.02 -1.26 -5.14 119.74 117.28 1whg s LYS 62 Ca -0.04 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 1whg s LYS 62 Cb 0.14 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1whg s LYS 62 CO 0.76 -0.01 1.08 -1.25 -0.92 0.00 0.00 175.35 175.01 1whg s PRO 63 N -0.93 2.29 1.26 -1.68 0.04 -1.26 -4.28 135.00 130.44 1whg s PRO 63 Ca -0.09 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1whg s PRO 63 Cb -0.06 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1whg s PRO 63 CO -0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1whg n GLY 64 N -1.80 -1.67 4.01 0.56 0.00 -1.26 -4.96 105.19 100.07 1whg n GLY 64 Ca 0.07 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 2.71 0.07 1.61 1.51 -1.26 -3.93 117.35 118.05 1whg s TYR 65 Ca 0.00 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1whg s TYR 65 Cb 0.00 -2.43 0.05 0.00 -0.11 0.00 0.00 41.96 39.46 1whg s TYR 65 CO 0.00 -0.55 0.48 -1.58 -1.11 0.00 0.00 175.55 172.79 1whg s TRP 66 N -2.44 -0.36 -0.20 2.71 0.52 -0.66 -4.81 118.94 113.70 1whg s TRP 66 Ca 0.56 0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.96 1whg s TRP 66 Cb -0.10 0.31 0.06 0.00 -1.15 0.00 0.00 33.47 32.60 1whg s TRP 66 CO 0.34 -0.65 0.04 0.08 0.02 0.00 0.00 176.95 176.78 1whg s VAL 67 N -2.76 0.51 -0.16 4.03 1.01 0.99 -2.15 120.40 121.86 1whg s VAL 67 Ca -0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1whg s VAL 67 Cb -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1whg s VAL 67 CO -0.04 -0.22 1.18 -0.83 0.00 0.00 0.00 175.10 175.18 1whg s GLY 68 N 1.87 1.77 -0.09 4.51 0.00 0.11 -2.36 107.32 113.13 1whg s GLY 68 Ca -0.01 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1whg s GLY 68 CO -0.08 2.34 -0.13 0.14 0.00 0.00 0.00 173.10 175.37 1whg s VAL 69 N 3.15 1.25 -0.25 1.40 1.01 -0.98 -1.98 120.40 124.00 1whg s VAL 69 Ca 0.52 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1whg s VAL 69 Cb -0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1whg s VAL 69 CO 0.13 0.39 0.13 -0.60 0.00 0.00 0.00 175.10 175.15 1whg s ARG 70 N 0.95 3.87 0.55 2.72 3.52 -1.08 -1.81 118.95 127.68 1whg s ARG 70 Ca -0.09 -0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.10 1whg s ARG 70 Cb -0.15 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1whg s ARG 70 CO -0.00 -0.09 0.85 0.71 -0.81 0.00 0.00 175.30 175.96 1whg s TYR 71 N 1.42 3.27 0.07 5.12 2.02 -1.07 -2.46 117.35 125.72 1whg s TYR 71 Ca 0.06 0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 57.31 1whg s TYR 71 Cb -0.15 -2.62 -0.28 0.00 -0.40 0.00 0.00 41.96 38.52 1whg s TYR 71 CO 0.06 -0.68 1.12 -0.44 -1.57 0.00 0.00 175.55 174.04 1whg h ASP 72 N -0.03 0.38 -2.64 2.29 3.32 -1.92 -3.46 116.42 114.36 1whg h ASP 72 Ca -0.46 -0.42 -0.52 0.00 0.02 0.00 0.00 57.03 55.66 1whg h ASP 72 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1whg h ASP 72 CO 0.60 1.33 -0.38 -1.61 -1.72 0.00 0.00 179.24 177.46 1whg s GLU 73 N -2.66 3.48 -1.11 3.56 0.41 -1.26 -4.99 118.70 116.13 1whg s GLU 73 Ca -0.04 -0.49 -0.23 0.00 -0.41 0.00 0.00 54.97 53.80 1whg s GLU 73 Cb 0.07 -2.87 -0.11 0.00 -1.78 0.00 0.00 34.13 29.44 1whg s GLU 73 CO 0.88 0.42 1.94 -0.35 -0.49 0.00 0.00 175.26 177.65 1whg n PRO 74 N -0.86 1.48 -1.52 0.39 -0.04 -1.26 -4.42 135.00 128.76 1whg n PRO 74 Ca -0.06 -2.32 0.04 0.00 -0.04 0.00 0.00 63.50 61.11 1whg n PRO 74 Cb 0.55 -3.62 0.02 0.00 -0.04 0.00 0.00 33.50 30.41 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 13.71 0.97 0.00 1.53 4.77 -1.05 -4.94 117.00 131.99 1whg n LEU 75 Ca 0.45 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 1whg n LEU 75 Cb 0.46 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1whg n LEU 75 CO 0.73 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1whg n GLY 76 N 0.47 0.74 0.89 -0.72 0.00 -0.45 -4.82 105.19 101.29 1whg n GLY 76 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.24 1.61 4.76 -1.26 -4.57 118.16 115.46 1whg n LYS 77 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1whg n LYS 77 Cb 0.00 -0.08 0.01 0.00 -1.84 0.00 0.00 35.03 33.12 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 -2.14 5.27 -0.14 4.39 0.01 -0.92 -4.55 114.94 116.87 1whg s ASN 78 Ca 0.00 -0.69 0.11 0.00 -0.71 0.00 0.00 52.86 51.58 1whg s ASN 78 Cb 0.00 -0.31 -0.16 0.00 0.41 0.00 0.00 41.25 41.19 1whg s ASN 78 CO 0.00 -0.90 0.03 -0.90 -1.51 0.00 0.00 177.10 173.81 1whg n ASP 79 N -1.86 1.71 0.00 -1.22 5.68 -1.26 -3.41 116.55 116.20 1whg n ASP 79 Ca 0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1whg n ASP 79 Cb 0.61 0.74 0.00 0.00 -1.14 0.00 0.00 41.12 41.33 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 2.20 1.24 3.15 6.12 0.00 -1.26 -3.23 105.19 113.41 1whg n GLY 80 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.30 5.39 -0.18 1.61 0.01 -1.26 -1.12 113.70 117.85 1whg s SER 81 Ca 0.00 -2.00 -0.02 0.00 1.31 0.00 0.00 55.95 55.24 1whg s SER 81 Cb 0.00 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1whg s SER 81 CO 0.00 -0.59 -0.08 -0.69 0.41 0.00 0.00 173.24 172.29 1whg s VAL 82 N 1.20 3.21 -1.87 3.43 1.01 -0.02 -4.56 120.40 122.81 1whg s VAL 82 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1whg s VAL 82 Cb -0.24 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1whg s VAL 82 CO -0.03 0.47 0.00 0.59 0.00 0.00 0.00 175.10 176.13 1whg n ASN 83 N 4.21 -5.76 0.00 3.32 5.03 -1.26 -1.34 115.26 119.47 1whg n ASN 83 Ca -0.18 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1whg n ASN 83 Cb 0.52 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.41 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 -0.85 2.94 3.68 7.41 0.00 -1.26 -4.98 105.19 112.12 1whg n GLY 84 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1whg n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whg s LYS 85 N -0.11 4.27 -0.02 1.61 -0.14 -0.45 -5.00 119.74 119.91 1whg s LYS 85 Ca 0.00 1.84 -0.04 0.00 -1.36 0.00 0.00 55.97 56.41 1whg s LYS 85 Cb 0.00 -3.67 -0.04 0.00 -1.68 0.00 0.00 37.83 32.43 1whg s LYS 85 CO 0.00 -0.61 0.20 0.50 -0.76 0.00 0.00 175.35 174.67 1whg s ARG 86 N 2.86 3.47 0.14 1.68 3.52 -1.26 -0.84 118.95 128.52 1whg s ARG 86 Ca 0.61 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1whg s ARG 86 Cb -0.27 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1whg s ARG 86 CO 0.22 0.68 0.00 0.66 -0.81 0.00 0.00 175.30 176.06 1whg n TYR 87 N 1.12 -0.92 -4.46 5.12 4.01 -0.28 -4.98 117.16 116.76 1whg n TYR 87 Ca -0.12 0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1whg n TYR 87 Cb 0.53 0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.76 1whg n TYR 87 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1whg s PHE 88 N -2.00 1.77 -0.26 -0.72 -0.12 -1.26 -4.74 117.98 110.65 1whg s PHE 88 Ca 0.00 -1.37 0.03 0.00 -0.05 0.00 0.00 56.93 55.54 1whg s PHE 88 Cb 0.00 -1.06 0.06 0.00 -0.63 0.00 0.00 43.02 41.39 1whg s PHE 88 CO 0.00 -0.43 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.45 1whg s GLU 89 N -3.66 2.06 -0.16 1.99 2.02 -1.26 -4.52 118.70 115.17 1whg s GLU 89 Ca 0.27 -1.30 -0.35 0.00 0.02 0.00 0.00 54.97 53.62 1whg s GLU 89 Cb 0.02 -2.84 0.14 0.00 0.10 0.00 0.00 34.13 31.56 1whg s GLU 89 CO 0.17 -0.60 1.29 0.00 0.02 0.00 0.00 175.26 176.14 1whg n GLN 91 N -0.20 -2.56 -1.37 0.00 0.00 -1.26 -4.49 117.38 107.49 1whg n GLN 91 Ca -0.01 -0.72 -0.25 0.00 -0.00 0.00 0.00 57.00 56.01 1whg n GLN 91 Cb 0.59 -2.07 -0.03 0.00 0.00 0.00 0.00 30.24 28.73 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whg n ALA 92 N -4.99 6.18 -1.95 1.69 0.00 -1.26 -3.86 120.51 116.33 1whg n ALA 92 Ca 0.02 -2.79 -0.05 0.00 0.00 0.00 0.00 53.44 50.62 1whg n ALA 92 Cb 0.56 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1whg n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whg n LYS 93 N 0.70 0.08 0.00 0.00 5.02 -1.22 -4.49 118.16 118.26 1whg n LYS 93 Ca 0.45 -0.80 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1whg n LYS 93 Cb 0.56 0.49 0.00 0.00 -0.02 0.00 0.00 35.03 36.05 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 -0.10 -0.90 -3.00 2.13 4.02 -1.25 -1.34 117.16 116.72 1whg n TYR 94 Ca -0.21 0.02 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 1whg n TYR 94 Cb 0.62 0.54 -0.05 0.00 -0.02 0.00 0.00 39.34 40.42 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 -4.00 1.60 0.03 2.72 0.00 -1.24 -2.60 107.32 103.82 1whg s GLY 95 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1whg s GLY 95 CO 0.00 1.75 0.05 0.00 0.00 0.00 0.00 173.10 174.91 1whg s ALA 96 N 3.27 3.48 -0.25 3.20 0.00 -0.75 -2.17 121.76 128.54 1whg s ALA 96 Ca 0.24 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1whg s ALA 96 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1whg s ALA 96 CO 0.17 0.70 0.36 -0.06 0.00 0.00 0.00 175.76 176.93 1whg s PHE 97 N -1.23 3.28 0.43 0.00 0.08 -1.26 -2.32 117.98 116.96 1whg s PHE 97 Ca 0.24 0.45 0.03 0.00 0.12 0.00 0.00 56.93 57.77 1whg s PHE 97 Cb -0.12 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1whg s PHE 97 CO 0.16 -0.15 0.06 0.14 -0.10 0.00 0.00 175.22 175.33 1whg s VAL 98 N 1.81 1.01 0.06 -0.44 -7.23 -0.99 -4.93 120.40 109.68 1whg s VAL 98 Ca 0.15 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1whg s VAL 98 Cb -0.15 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1whg s VAL 98 CO 0.09 0.00 0.25 -0.54 -0.31 0.00 0.00 175.10 174.59 1whg s LYS 99 N -3.79 3.50 0.21 4.82 -0.14 -1.26 -0.00 119.74 123.07 1whg s LYS 99 Ca 0.21 -0.29 -0.15 0.00 -1.36 0.00 0.00 55.97 54.38 1whg s LYS 99 Cb 0.04 -3.01 0.22 0.00 -1.68 0.00 0.00 37.83 33.40 1whg s LYS 99 CO 0.11 0.60 1.61 -1.35 -0.76 0.00 0.00 175.35 175.56 1whg h PRO 100 N 3.29 -0.05 -0.17 -1.68 0.11 -1.90 1.63 132.00 133.24 1whg h PRO 100 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1whg h PRO 100 Cb 1.17 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1whg h PRO 100 CO 0.73 -0.03 0.23 1.03 -0.21 0.00 0.00 178.00 179.74 1whg h SER 101 N -0.05 0.00 0.88 -2.05 0.87 -1.94 0.90 113.55 112.16 1whg h SER 101 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1whg h SER 101 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1whg h SER 101 CO -0.68 0.00 -0.60 0.00 -0.53 0.00 0.00 176.83 175.02 1whg n ALA 102 N -2.25 2.91 -2.65 6.23 0.00 0.53 -4.85 120.51 120.43 1whg n ALA 102 Ca 0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 1whg n ALA 102 Cb 0.34 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.16 5.21 -0.18 0.00 1.01 0.31 -2.31 120.40 121.29 1whg s VAL 103 Ca 0.06 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1whg s VAL 103 Cb 0.13 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.94 1whg s VAL 103 CO 0.72 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 175.43 1whg s THR 104 N -0.69 1.08 -0.09 3.92 2.01 0.54 -4.91 115.64 117.50 1whg s THR 104 Ca 0.20 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 1whg s THR 104 Cb -0.15 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1whg s THR 104 CO 0.09 0.06 0.71 -0.69 -0.69 0.00 0.00 174.62 174.11 1whg s VAL 105 N 1.64 5.02 -0.16 3.82 1.01 -1.26 0.29 120.40 130.76 1whg s VAL 105 Ca -0.00 1.45 0.15 0.00 0.00 0.00 0.00 61.98 63.59 1whg s VAL 105 Cb -0.16 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 1whg s VAL 105 CO -0.07 0.21 0.23 0.61 0.00 0.00 0.00 175.10 176.08 1whg n GLY 106 N 3.21 -0.97 3.50 4.51 0.00 -1.26 -4.90 105.19 109.28 1whg n GLY 106 Ca -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1whg n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whg s ASP 107 N -5.73 4.85 -0.48 1.61 1.11 -1.26 -5.07 116.67 111.69 1whg s ASP 107 Ca -0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 52.55 52.49 1whg s ASP 107 Cb 0.07 -1.80 0.13 0.00 1.07 0.00 0.00 42.92 42.39 1whg s ASP 107 CO 0.82 0.16 0.27 -0.44 1.18 0.00 0.00 175.17 177.17 1whg s SER 108 N 0.40 5.19 0.00 0.27 0.01 -1.26 -4.95 113.70 113.35 1whg s SER 108 Ca -0.03 -2.34 0.00 0.00 1.31 0.00 0.00 55.95 54.89 1whg s SER 108 Cb -0.14 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1whg s SER 108 CO 0.03 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1whg n GLY 109 N 4.17 2.67 0.41 3.44 0.00 -1.26 -4.88 105.19 109.75 1whg n GLY 109 Ca 0.01 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.68 -1.64 1.61 0.11 -2.01 -3.45 132.00 125.94 1whg h PRO 110 Ca 0.00 0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.24 1whg h PRO 110 Cb 0.00 0.15 -0.26 0.00 0.11 0.00 0.00 31.00 31.01 1whg h PRO 110 CO 0.00 -0.45 0.34 -1.54 -0.21 0.00 0.00 178.00 176.14 1whg s SER 111 N -4.22 -0.57 0.25 -2.05 1.04 -1.26 -5.15 113.70 101.74 1whg s SER 111 Ca -0.14 0.95 -0.30 0.00 0.48 0.00 0.00 55.95 56.94 1whg s SER 111 Cb 0.05 1.15 -0.09 0.00 0.10 0.00 0.00 66.02 67.23 1whg s SER 111 CO 0.51 -0.15 1.05 -0.44 0.98 0.00 0.00 173.24 175.18 1whg s SER 112 N 1.05 7.39 0.00 7.02 0.01 -1.26 -5.21 113.70 122.70 1whg s SER 112 Ca -0.05 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.34 1whg s SER 112 Cb -0.04 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1whg s SER 112 CO -0.13 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.08