#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 6.35 -0.29 1.61 1.04 -1.26 -5.03 113.70 116.12 1whg s SER 2 Ca 0.00 0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.68 1whg s SER 2 Cb 0.00 -2.22 0.18 0.00 0.10 0.00 0.00 66.02 64.09 1whg s SER 2 CO 0.00 -0.10 1.15 -0.44 0.98 0.00 0.00 173.24 174.83 1whg s SER 3 N 1.24 -0.25 0.09 7.02 0.01 -1.26 -5.18 113.70 115.38 1whg s SER 3 Ca 0.17 0.40 0.09 0.00 1.31 0.00 0.00 55.95 57.92 1whg s SER 3 Cb -0.15 1.06 -0.03 0.00 0.21 0.00 0.00 66.02 67.10 1whg s SER 3 CO 0.08 -0.06 -0.25 -0.83 0.41 0.00 0.00 173.24 172.59 1whg s GLY 4 N 1.10 1.40 -0.32 3.44 0.00 -1.26 -5.11 107.32 106.57 1whg s GLY 4 Ca -0.08 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.33 1whg s GLY 4 CO -0.12 -1.26 0.09 -0.45 0.00 0.00 0.00 173.10 171.36 1whg s SER 5 N -1.68 4.14 -0.36 1.64 0.15 -1.26 -5.05 113.70 111.29 1whg s SER 5 Ca 0.11 -1.73 0.01 0.00 0.70 0.00 0.00 55.95 55.04 1whg s SER 5 Cb -0.10 -0.99 0.14 0.00 -1.71 0.00 0.00 66.02 63.37 1whg s SER 5 CO 0.04 -0.41 0.23 -0.44 1.20 0.00 0.00 173.24 173.87 1whg s SER 6 N 1.49 2.68 0.00 5.45 0.01 -1.26 -5.09 113.70 116.98 1whg s SER 6 Ca 0.10 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.10 1whg s SER 6 Cb -0.18 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1whg s SER 6 CO -0.22 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1whg n GLY 7 N 3.90 -0.66 3.04 3.44 0.00 -1.26 -4.96 105.19 108.69 1whg n GLY 7 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1whg n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1whg s ASN 8 N -1.62 2.39 -0.07 1.61 0.01 -1.26 -5.01 114.94 111.00 1whg s ASN 8 Ca 0.00 -0.41 0.07 0.00 -0.71 0.00 0.00 52.86 51.81 1whg s ASN 8 Cb 0.00 -1.06 -0.24 0.00 0.41 0.00 0.00 41.25 40.36 1whg s ASN 8 CO 0.00 0.00 0.54 -0.62 -1.51 0.00 0.00 177.10 175.51 1whg n GLU 9 N 4.28 0.67 -0.16 -0.60 1.02 -1.26 -3.49 120.64 121.10 1whg n GLU 9 Ca -0.19 0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1whg n GLU 9 Cb 0.51 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.02 0.79 -1.00 3.49 5.08 -2.04 -2.86 114.58 118.06 1whg h GLU 10 Ca -0.34 -0.23 -0.51 0.00 -1.00 0.00 0.00 59.36 57.28 1whg h GLU 10 Cb 2.03 -0.08 -0.29 0.00 0.50 0.00 0.00 28.75 30.90 1whg h GLU 10 CO 0.08 0.83 0.64 -0.11 -1.00 0.00 0.00 179.01 179.45 1whg n LEU 11 N -4.41 6.65 -0.02 1.33 7.94 -1.26 -4.30 117.00 122.93 1whg n LEU 11 Ca 0.00 -3.56 -0.11 0.00 -1.11 0.00 0.00 56.01 51.23 1whg n LEU 11 Cb 0.28 -0.84 -0.14 0.00 0.53 0.00 0.00 43.42 43.25 1whg n LEU 11 CO 0.41 1.06 -0.58 -1.14 -1.11 0.00 0.00 177.39 176.02 1whg n ARG 12 N -1.05 0.66 -0.09 1.96 0.63 -1.08 -3.89 116.66 113.81 1whg n ARG 12 Ca 0.57 0.29 -0.09 0.00 -0.92 0.00 0.00 57.85 57.71 1whg n ARG 12 Cb 1.54 -1.78 -0.16 0.00 0.45 0.00 0.00 32.46 32.52 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1whg n ALA 13 N -2.65 1.56 0.24 5.13 0.00 -1.26 -4.27 120.51 119.27 1whg n ALA 13 Ca -0.20 -1.23 0.09 0.00 0.00 0.00 0.00 53.44 52.10 1whg n ALA 13 Cb 1.05 -0.29 0.61 0.00 0.00 0.00 0.00 19.45 20.83 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 -0.78 0.00 -0.00 -1.76 -1.92 115.11 110.65 1whg h GLN 14 Ca -0.49 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 57.94 1whg h GLN 14 Cb 2.16 0.00 -0.13 0.00 0.00 0.00 0.00 27.48 29.51 1whg h GLN 14 CO 0.03 0.17 0.27 1.04 0.00 0.00 0.00 178.83 180.35 1whg n GLN 15 N -3.88 3.59 -0.03 1.69 6.02 -1.25 -2.60 117.38 120.92 1whg n GLN 15 Ca -0.02 -2.92 -0.02 0.00 -0.01 0.00 0.00 57.00 54.03 1whg n GLN 15 Cb 0.26 -2.18 -0.06 0.00 1.02 0.00 0.00 30.24 29.28 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 -0.14 2.13 0.00 -1.09 1.02 -0.72 -4.27 120.64 117.57 1whg n GLU 16 Ca 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1whg n GLU 16 Cb 1.36 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 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 -2.16 2.14 -0.01 0.62 0.00 -1.24 -4.49 120.51 115.37 1whg n ALA 17 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1whg n ALA 17 Cb 0.62 0.44 -0.14 0.00 0.00 0.00 0.00 19.45 20.37 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 0.16 -1.02 0.00 5.08 -1.81 -3.30 114.58 113.69 1whg h GLU 18 Ca 0.00 -0.27 -0.49 0.00 -1.00 0.00 0.00 59.36 57.59 1whg h GLU 18 Cb 0.88 0.10 -0.28 0.00 0.50 0.00 0.00 28.75 29.96 1whg h GLU 18 CO 0.00 1.13 0.63 0.00 -1.00 0.00 0.00 179.01 179.77 1whg n ALA 19 N -2.70 5.44 -2.15 3.43 0.00 -1.07 -4.07 120.51 119.39 1whg n ALA 19 Ca -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 53.44 50.59 1whg n ALA 19 Cb 0.68 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.93 2.61 0.03 0.00 0.00 -1.25 -4.71 120.51 116.27 1whg n ALA 20 Ca 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1whg n ALA 20 Cb 1.40 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 0.15 0.00 0.13 0.00 3.00 -1.24 -4.61 117.38 114.80 1whg n GLN 21 Ca -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1whg n GLN 21 Cb 0.79 0.00 0.27 0.00 0.00 0.00 0.00 30.24 31.30 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 0.13 -0.13 -1.09 2.47 -1.83 -3.06 114.38 110.87 1whg h ARG 22 Ca 0.00 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1whg h ARG 22 Cb 0.00 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1whg h ARG 22 CO 0.00 0.52 -0.38 -0.11 0.56 0.00 0.00 179.97 180.56 1whg n LEU 23 N -4.04 3.22 -0.00 3.04 7.94 -1.26 -4.64 117.00 121.26 1whg n LEU 23 Ca -0.02 -3.91 -0.11 0.00 -1.11 0.00 0.00 56.01 50.87 1whg n LEU 23 Cb 0.46 -0.56 -0.14 0.00 0.53 0.00 0.00 43.42 43.71 1whg n LEU 23 CO 0.41 1.40 -0.50 0.77 -1.11 0.00 0.00 177.39 178.36 1whg h SER 24 N 1.04 0.09 0.15 1.96 4.64 -1.79 -3.11 113.55 116.54 1whg h SER 24 Ca 0.08 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1whg h SER 24 Cb 1.21 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1whg h SER 24 CO 0.15 1.16 -0.30 1.05 -0.87 0.00 0.00 176.83 178.01 1whg h GLU 25 N 0.02 0.24 0.25 4.77 4.11 -1.82 -2.24 114.58 119.91 1whg h GLU 25 Ca -0.28 -0.09 -0.33 0.00 0.07 0.00 0.00 59.36 58.73 1whg h GLU 25 Cb 2.00 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 31.27 1whg h GLU 25 CO 0.09 0.53 -1.48 0.93 0.07 0.00 0.00 179.01 179.15 1whg h GLU 26 N 0.21 0.53 -0.42 1.06 5.08 -1.89 -3.30 114.58 115.85 1whg h GLU 26 Ca 0.03 -0.91 -0.01 0.00 -1.00 0.00 0.00 59.36 57.47 1whg h GLU 26 Cb 0.65 0.34 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1whg h GLU 26 CO 0.05 1.43 0.20 -0.22 -1.00 0.00 0.00 179.01 179.47 1whg h LYS 27 N 0.13 0.58 -0.75 2.33 3.64 -1.46 -1.01 116.57 120.03 1whg h LYS 27 Ca -0.26 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1whg h LYS 27 Cb 2.15 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.82 1whg h LYS 27 CO 0.27 0.46 0.40 0.00 -2.27 0.00 0.00 179.45 178.30 1whg h ALA 28 N 1.64 0.97 -0.10 5.00 0.00 -1.48 0.10 119.26 125.38 1whg h ALA 28 Ca 0.15 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1whg h ALA 28 Cb 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1whg h ALA 28 CO -0.02 0.49 -0.70 1.96 0.00 0.00 0.00 179.25 180.98 1whg h GLN 29 N 1.04 0.66 -0.27 0.00 4.20 -1.50 -3.21 115.11 116.03 1whg h GLN 29 Ca 0.26 -0.57 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 1whg h GLN 29 Cb 0.06 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1whg h GLN 29 CO -0.04 1.18 -0.09 0.00 -0.67 0.00 0.00 178.83 179.22 1whg h ALA 30 N 0.48 1.35 -1.22 3.87 0.00 -1.02 -2.82 119.26 119.91 1whg h ALA 30 Ca -0.06 -0.23 -0.76 0.00 0.00 0.00 0.00 54.91 53.86 1whg h ALA 30 Cb 1.35 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1whg h ALA 30 CO 0.14 0.44 0.84 -1.13 0.00 0.00 0.00 179.25 179.54 1whg n SER 31 N -4.24 7.10 0.00 0.00 3.41 0.34 -4.37 113.62 115.86 1whg n SER 31 Ca 0.01 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1whg n SER 31 Cb 0.28 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1whg n ALA 32 N -0.31 0.00 -2.06 7.33 0.00 -1.16 -4.89 120.51 119.41 1whg n ALA 32 Ca 0.49 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 1whg n ALA 32 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.37 3.60 0.43 0.00 1.01 -1.07 -4.97 121.20 118.83 1whg s ILE 33 Ca 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 1whg s ILE 33 Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 1whg s ILE 33 CO 0.00 -0.33 1.19 -0.94 0.00 0.00 0.00 174.94 174.86 1whg s SER 34 N 4.88 6.28 0.44 3.58 1.04 -1.26 -5.01 113.70 123.65 1whg s SER 34 Ca 0.75 2.38 -0.21 0.00 0.48 0.00 0.00 55.95 59.35 1whg s SER 34 Cb -0.24 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.16 1whg s SER 34 CO 0.31 -0.85 0.98 -0.69 0.98 0.00 0.00 173.24 173.98 1whg s VAL 35 N -1.45 4.16 -0.64 5.02 1.01 -1.26 -3.90 120.40 123.33 1whg s VAL 35 Ca 0.61 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 1whg s VAL 35 Cb -0.31 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1whg s VAL 35 CO 0.38 -0.25 0.28 0.61 0.00 0.00 0.00 175.10 176.12 1whg n GLY 36 N -0.40 0.20 3.16 4.51 0.00 0.29 -4.93 105.19 108.01 1whg n GLY 36 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.91 2.57 0.02 1.61 0.01 -1.25 -4.82 113.70 108.93 1whg s SER 37 Ca 0.14 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1whg s SER 37 Cb -0.06 -1.03 -0.08 0.00 0.21 0.00 0.00 66.02 65.06 1whg s SER 37 CO 0.17 0.14 1.84 -0.13 0.41 0.00 0.00 173.24 175.67 1whg s ARG 38 N 0.30 4.16 0.06 12.44 1.81 -1.26 -2.40 118.95 134.06 1whg s ARG 38 Ca -0.13 2.47 -0.05 0.00 -1.72 0.00 0.00 55.73 56.30 1whg s ARG 38 Cb -0.16 -4.00 -0.02 0.00 -0.45 0.00 0.00 34.95 30.32 1whg s ARG 38 CO 0.06 -0.89 0.08 0.00 -0.68 0.00 0.00 175.30 173.86 1whg s GLU 40 N -3.44 3.16 -0.04 0.00 8.01 0.29 -1.99 118.70 124.69 1whg s GLU 40 Ca 0.02 -0.04 -0.06 0.00 0.01 0.00 0.00 54.97 54.90 1whg s GLU 40 Cb 0.04 -2.37 0.01 0.00 -4.31 0.00 0.00 34.13 27.50 1whg s GLU 40 CO -0.08 -0.44 0.14 0.08 0.01 0.00 0.00 175.26 174.97 1whg s VAL 41 N -2.81 0.03 -0.16 2.63 1.01 -1.03 -0.64 120.40 119.43 1whg s VAL 41 Ca 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1whg s VAL 41 Cb -0.10 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.04 1whg s VAL 41 CO 0.43 -0.14 -0.01 -0.60 0.00 0.00 0.00 175.10 174.79 1whg s ARG 42 N -0.43 0.99 0.04 2.72 3.00 -1.09 -2.53 118.95 121.65 1whg s ARG 42 Ca -0.05 -0.40 0.05 0.00 -1.00 0.00 0.00 55.73 54.32 1whg s ARG 42 Cb -0.03 -1.91 -0.02 0.00 0.00 0.00 0.00 34.95 32.99 1whg s ARG 42 CO 0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 175.30 174.67 1whg s ALA 43 N 1.77 1.11 -1.14 6.12 0.00 -1.26 -4.91 121.76 123.44 1whg s ALA 43 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 1whg s ALA 43 Cb -0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 1whg s ALA 43 CO -0.07 0.19 2.34 -0.35 0.00 0.00 0.00 175.76 177.87 1whg n PRO 44 N 1.82 2.54 0.01 0.00 -0.04 -1.26 -3.81 135.00 134.25 1whg n PRO 44 Ca -0.19 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1whg n PRO 44 Cb 0.55 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 4.42 0.03 0.01 3.54 -0.08 -1.26 -5.07 116.55 118.14 1whg n ASP 45 Ca 0.55 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1whg n ASP 45 Cb 0.20 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.66 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 -2.79 -0.23 -3.73 -0.67 -0.00 -1.25 -5.18 115.22 101.37 1whg n HIS 46 Ca 0.00 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1whg n HIS 46 Cb 0.21 0.51 0.00 0.00 -0.12 0.00 0.00 29.99 30.59 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 -2.58 -0.08 -4.79 0.26 3.41 -1.26 -5.08 113.62 103.50 1whg n SER 47 Ca 0.00 -1.03 -0.34 0.00 -0.26 0.00 0.00 58.87 57.24 1whg n SER 47 Cb 0.00 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 3.81 0.28 1.04 1.43 -1.26 -4.45 118.68 119.53 1whg s LEU 48 Ca 0.02 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 1whg s LEU 48 Cb -0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 1whg s LEU 48 CO 0.00 -0.93 0.37 -0.13 0.23 0.00 0.00 176.35 175.90 1whg s ARG 49 N -3.26 1.63 -0.08 1.70 0.52 -1.05 -5.00 118.95 113.41 1whg s ARG 49 Ca 0.69 -1.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.31 1whg s ARG 49 Cb -0.19 0.40 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 1whg s ARG 49 CO 0.22 -0.64 -0.18 1.03 0.02 0.00 0.00 175.30 175.75 1whg s ARG 50 N -3.61 2.83 0.00 3.54 1.81 -1.26 -2.46 118.95 119.80 1whg s ARG 50 Ca 0.32 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1whg s ARG 50 Cb 0.02 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 1whg s ARG 50 CO 0.16 0.38 0.00 0.41 -0.68 0.00 0.00 175.30 175.58 1whg n GLY 51 N 2.99 3.46 3.02 -3.53 0.00 -0.84 -4.38 105.19 105.90 1whg n GLY 51 Ca -0.18 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.44 0.24 0.07 2.61 2.01 -1.20 -1.17 115.64 115.75 1whg s THR 52 Ca 0.00 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1whg s THR 52 Cb 0.00 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1whg s THR 52 CO 0.00 -0.54 1.12 -0.69 -0.69 0.00 0.00 174.62 173.82 1whg s VAL 53 N -1.78 4.22 -0.01 3.82 1.01 -1.01 -3.30 120.40 123.35 1whg s VAL 53 Ca -0.11 1.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 1whg s VAL 53 Cb -0.08 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1whg s VAL 53 CO -0.02 0.16 -0.01 0.23 0.00 0.00 0.00 175.10 175.46 1whg n MET 54 N 3.60 0.02 -4.07 2.72 2.81 -0.78 0.11 117.12 121.53 1whg n MET 54 Ca 0.07 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 1whg n MET 54 Cb 0.48 -0.94 -0.13 0.00 -0.71 0.00 0.00 33.22 31.91 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 -2.02 0.41 -0.15 2.03 6.14 -1.25 -4.85 117.35 117.67 1whg s TYR 55 Ca -0.01 -0.21 -0.04 0.00 0.64 0.00 0.00 57.07 57.45 1whg s TYR 55 Cb 0.00 -0.26 0.07 0.00 0.42 0.00 0.00 41.96 42.19 1whg s TYR 55 CO 0.02 -0.04 0.20 0.08 0.64 0.00 0.00 175.55 176.45 1whg s VAL 56 N -0.53 -0.31 -1.09 3.14 1.01 -1.26 -2.13 120.40 119.23 1whg s VAL 56 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1whg s VAL 56 Cb -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1whg s VAL 56 CO -0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1whg n GLY 57 N 5.32 -0.61 4.04 4.51 0.00 -0.93 -5.00 105.19 112.53 1whg n GLY 57 Ca -0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 3.01 0.00 0.99 1.43 -1.26 0.97 118.68 123.82 1whg s LEU 58 Ca 0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1whg s LEU 58 Cb 0.00 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1whg s LEU 58 CO 0.00 -1.46 0.32 0.35 0.23 0.00 0.00 176.35 175.79 1whg n THR 59 N -2.33 0.00 -0.43 5.49 -2.24 -1.26 -4.78 114.28 108.73 1whg n THR 59 Ca 0.17 -1.58 0.03 0.00 -2.27 0.00 0.00 64.05 60.40 1whg n THR 59 Cb 0.62 0.89 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.83 2.03 -0.01 3.42 8.00 -1.26 -4.69 116.55 122.21 1whg n ASP 60 Ca 0.03 -2.35 -0.02 0.00 0.71 0.00 0.00 54.79 53.16 1whg n ASP 60 Cb 0.46 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1whg n ASP 60 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1whg n PHE 61 N -0.81 0.00 -4.11 1.24 1.16 -1.26 -5.07 117.46 108.62 1whg n PHE 61 Ca 0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.49 1whg n PHE 61 Cb 0.40 -0.11 -0.12 0.00 -1.61 0.00 0.00 39.48 38.04 1whg n PHE 61 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1whg s LYS 62 N -2.06 0.62 0.95 3.97 1.02 -1.26 -5.16 119.74 117.82 1whg s LYS 62 Ca -0.03 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.06 1whg s LYS 62 Cb 0.01 -0.47 0.16 0.00 -0.52 0.00 0.00 37.83 37.01 1whg s LYS 62 CO 0.07 0.10 1.09 -1.25 -0.92 0.00 0.00 175.35 174.44 1whg s PRO 63 N -1.52 0.83 0.15 -1.68 0.04 -1.26 -4.40 135.00 127.15 1whg s PRO 63 Ca -0.07 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1whg s PRO 63 Cb -0.09 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1whg s PRO 63 CO 0.01 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1whg n GLY 64 N -1.16 -1.61 3.89 0.56 0.00 -1.26 -4.91 105.19 100.70 1whg n GLY 64 Ca 0.06 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.62 3.25 0.07 1.61 2.02 -1.26 -4.30 117.35 117.12 1whg s TYR 65 Ca 0.00 0.95 -0.07 0.00 -0.37 0.00 0.00 57.07 57.58 1whg s TYR 65 Cb 0.00 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1whg s TYR 65 CO 0.00 -1.23 0.14 -1.58 -1.57 0.00 0.00 175.55 171.31 1whg s TRP 66 N -3.35 0.21 -0.13 2.71 0.52 0.27 -4.76 118.94 114.41 1whg s TRP 66 Ca 0.58 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 56.03 1whg s TRP 66 Cb -0.11 -0.13 0.05 0.00 -1.15 0.00 0.00 33.47 32.14 1whg s TRP 66 CO 0.50 -0.49 0.09 0.08 0.02 0.00 0.00 176.95 177.16 1whg s VAL 67 N -3.63 -0.11 0.02 4.03 1.01 -0.04 -2.20 120.40 119.47 1whg s VAL 67 Ca 0.03 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1whg s VAL 67 Cb 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1whg s VAL 67 CO -0.10 -0.14 0.95 -0.83 0.00 0.00 0.00 175.10 174.99 1whg s GLY 68 N 2.16 2.91 -0.07 4.51 0.00 -0.91 -2.43 107.32 113.49 1whg s GLY 68 Ca 0.03 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.28 1whg s GLY 68 CO -0.07 1.60 -0.07 0.14 0.00 0.00 0.00 173.10 174.69 1whg s VAL 69 N 0.78 0.82 -0.04 1.40 1.01 -0.63 -1.87 120.40 121.87 1whg s VAL 69 Ca 0.50 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1whg s VAL 69 Cb -0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1whg s VAL 69 CO 0.28 0.30 0.27 -0.60 0.00 0.00 0.00 175.10 175.34 1whg s ARG 70 N 1.04 3.63 0.42 2.72 3.52 -1.21 -1.62 118.95 127.46 1whg s ARG 70 Ca -0.08 0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.65 1whg s ARG 70 Cb -0.14 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1whg s ARG 70 CO -0.00 0.70 0.37 0.71 -0.81 0.00 0.00 175.30 176.27 1whg s TYR 71 N -1.14 2.64 -0.09 5.12 2.02 -1.19 -3.28 117.35 121.43 1whg s TYR 71 Ca 0.22 -0.52 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 1whg s TYR 71 Cb -0.14 -2.15 -0.29 0.00 -0.40 0.00 0.00 41.96 38.99 1whg s TYR 71 CO 0.11 -0.13 0.83 -0.44 -1.57 0.00 0.00 175.55 174.35 1whg h ASP 72 N 1.04 0.24 -3.32 2.29 3.32 -1.92 -3.47 116.42 114.60 1whg h ASP 72 Ca -0.41 -0.97 -0.51 0.00 0.02 0.00 0.00 57.03 55.15 1whg h ASP 72 Cb 1.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1whg h ASP 72 CO 0.58 1.21 -0.09 -1.61 -1.72 0.00 0.00 179.24 177.62 1whg s GLU 73 N -2.33 3.68 -0.83 3.56 2.02 -1.26 -4.96 118.70 118.58 1whg s GLU 73 Ca -0.16 0.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 1whg s GLU 73 Cb -0.01 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 1whg s GLU 73 CO 0.76 0.17 2.00 -0.35 0.02 0.00 0.00 175.26 177.86 1whg n PRO 74 N -0.94 1.77 -1.28 0.39 -0.04 -1.26 -4.37 135.00 129.28 1whg n PRO 74 Ca -0.01 -1.63 -0.03 0.00 -0.04 0.00 0.00 63.50 61.80 1whg n PRO 74 Cb 0.54 -2.67 0.12 0.00 -0.04 0.00 0.00 33.50 31.45 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 5.78 2.98 0.00 1.53 4.77 -0.99 -4.82 117.00 126.24 1whg n LEU 75 Ca 0.46 -3.80 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 1whg n LEU 75 Cb 0.26 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1whg n LEU 75 CO 0.86 1.44 0.00 0.61 -1.33 0.00 0.00 177.39 178.97 1whg n GLY 76 N -0.74 1.42 2.02 -0.72 0.00 -0.77 -4.86 105.19 101.54 1whg n GLY 76 Ca 0.23 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.16 1.61 4.76 -1.25 -4.64 118.16 116.48 1whg n LYS 77 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1whg n LYS 77 Cb 0.00 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 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 -3.20 4.74 -0.11 4.39 0.01 -0.81 -4.37 114.94 115.59 1whg s ASN 78 Ca 0.00 0.49 0.11 0.00 -0.71 0.00 0.00 52.86 52.75 1whg s ASN 78 Cb 0.00 -1.10 -0.16 0.00 0.41 0.00 0.00 41.25 40.40 1whg s ASN 78 CO 0.00 -1.66 0.06 -0.90 -1.51 0.00 0.00 177.10 173.09 1whg n ASP 79 N -2.98 1.96 0.00 -1.22 5.75 -1.26 -3.03 116.55 115.77 1whg n ASP 79 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1whg n ASP 79 Cb 0.61 0.86 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1whg n GLY 80 N 2.21 1.23 3.17 6.12 0.00 -1.26 -4.23 105.19 112.43 1whg n GLY 80 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1whg n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whg s SER 81 N -0.31 4.93 -0.41 1.61 0.15 -1.26 -1.29 113.70 117.12 1whg s SER 81 Ca 0.00 -1.36 -0.14 0.00 0.70 0.00 0.00 55.95 55.15 1whg s SER 81 Cb 0.00 -1.72 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1whg s SER 81 CO 0.00 -0.29 0.28 -0.69 1.20 0.00 0.00 173.24 173.74 1whg s VAL 82 N 1.24 5.07 -1.78 4.45 1.01 0.17 -4.37 120.40 126.18 1whg s VAL 82 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1whg s VAL 82 Cb -0.20 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1whg s VAL 82 CO -0.01 -0.32 0.00 0.59 0.00 0.00 0.00 175.10 175.36 1whg n ASN 83 N 5.12 -5.76 0.00 3.32 3.02 -1.26 -1.49 115.26 118.21 1whg n ASN 83 Ca -0.11 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1whg n ASN 83 Cb 0.46 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1whg n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1whg n GLY 84 N -0.97 2.80 3.64 7.41 0.00 -1.26 -5.03 105.19 111.77 1whg n GLY 84 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.14 4.01 -0.27 1.61 2.20 -0.56 -4.97 119.74 121.62 1whg s LYS 85 Ca 0.00 1.23 -0.12 0.00 -0.36 0.00 0.00 55.97 56.72 1whg s LYS 85 Cb 0.00 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 1whg s LYS 85 CO 0.00 -0.99 0.22 0.50 -0.36 0.00 0.00 175.35 174.71 1whg s ARG 86 N 3.91 3.97 -0.19 4.03 3.52 -1.26 0.46 118.95 133.39 1whg s ARG 86 Ca 0.52 -0.25 -0.15 0.00 -0.13 0.00 0.00 55.73 55.72 1whg s ARG 86 Cb -0.16 -3.65 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 1whg s ARG 86 CO 0.19 -0.17 -0.08 0.66 -0.81 0.00 0.00 175.30 175.10 1whg n TYR 87 N 5.02 0.74 -4.65 5.12 4.02 -0.42 -4.99 117.16 122.01 1whg n TYR 87 Ca -0.13 0.32 -0.29 0.00 -0.01 0.00 0.00 57.90 57.79 1whg n TYR 87 Cb 0.52 -0.89 -0.09 0.00 -0.02 0.00 0.00 39.34 38.86 1whg n TYR 87 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whg s PHE 88 N -2.40 2.00 -0.54 -0.72 -0.12 -1.26 -4.85 117.98 110.10 1whg s PHE 88 Ca -0.25 -0.96 -0.02 0.00 -0.05 0.00 0.00 56.93 55.65 1whg s PHE 88 Cb 0.05 -1.52 0.14 0.00 -0.63 0.00 0.00 43.02 41.06 1whg s PHE 88 CO 0.41 0.14 0.34 -1.21 -0.05 0.00 0.00 175.22 174.85 1whg s GLU 89 N -3.81 2.30 0.10 1.99 8.01 -1.26 -4.76 118.70 121.28 1whg s GLU 89 Ca 0.19 -2.29 -0.17 0.00 0.01 0.00 0.00 54.97 52.71 1whg s GLU 89 Cb 0.04 -3.63 0.04 0.00 -4.31 0.00 0.00 34.13 26.27 1whg s GLU 89 CO 0.10 -1.13 0.41 0.00 0.01 0.00 0.00 175.26 174.65 1whg n GLN 91 N -0.02 -1.43 -2.83 0.00 7.27 -1.26 -4.49 117.38 114.61 1whg n GLN 91 Ca -0.17 -0.35 -0.30 0.00 0.07 0.00 0.00 57.00 56.25 1whg n GLN 91 Cb 0.63 -0.33 -0.03 0.00 2.41 0.00 0.00 30.24 32.92 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1whg s ALA 92 N -3.01 3.35 -1.28 1.69 0.00 -1.26 -4.17 121.76 117.08 1whg s ALA 92 Ca 0.14 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1whg s ALA 92 Cb -0.01 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.41 1whg s ALA 92 CO 0.11 -0.03 1.11 1.63 0.00 0.00 0.00 175.76 178.57 1whg n LYS 93 N -1.36 -7.42 0.08 0.00 4.01 -1.17 -4.86 118.16 107.44 1whg n LYS 93 Ca 0.02 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.63 1whg n LYS 93 Cb 0.54 -5.77 0.00 0.00 -0.51 0.00 0.00 35.03 29.29 1whg n LYS 93 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1whg n TYR 94 N -4.72 -1.48 -3.10 2.13 4.01 -1.25 -1.85 117.16 110.91 1whg n TYR 94 Ca -0.06 0.26 -0.40 0.00 -0.16 0.00 0.00 57.90 57.55 1whg n TYR 94 Cb 0.58 0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 40.14 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 -4.51 2.32 0.21 2.72 0.00 -1.25 -3.14 107.32 103.67 1whg s GLY 95 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.73 1whg s GLY 95 CO 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 173.10 174.24 1whg s ALA 96 N 1.33 3.02 -0.38 3.20 0.00 -0.64 -1.92 121.76 126.36 1whg s ALA 96 Ca 0.32 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1whg s ALA 96 Cb -0.16 -0.74 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1whg s ALA 96 CO 0.13 0.39 0.19 -0.06 0.00 0.00 0.00 175.76 176.42 1whg s PHE 97 N -1.94 3.30 0.54 0.00 0.08 -1.26 -1.60 117.98 117.10 1whg s PHE 97 Ca 0.27 -1.45 0.02 0.00 0.12 0.00 0.00 56.93 55.90 1whg s PHE 97 Cb -0.08 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1whg s PHE 97 CO 0.17 -0.78 0.15 0.14 -0.10 0.00 0.00 175.22 174.80 1whg s VAL 98 N 1.42 1.21 0.01 -0.44 -7.23 -1.02 -4.93 120.40 109.42 1whg s VAL 98 Ca 0.01 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1whg s VAL 98 Cb -0.21 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1whg s VAL 98 CO 0.03 0.00 0.18 -0.54 -0.31 0.00 0.00 175.10 174.46 1whg s LYS 99 N -4.05 3.40 0.21 4.82 -0.14 -1.26 -0.86 119.74 121.85 1whg s LYS 99 Ca 0.12 -0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 54.20 1whg s LYS 99 Cb -0.01 -3.06 0.21 0.00 -1.68 0.00 0.00 37.83 33.30 1whg s LYS 99 CO 0.08 0.65 1.61 -1.35 -0.76 0.00 0.00 175.35 175.58 1whg h PRO 100 N 3.61 -0.06 -0.15 -1.68 0.11 -1.90 1.57 132.00 133.51 1whg h PRO 100 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1whg h PRO 100 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.70 -0.04 0.22 1.03 -0.21 0.00 0.00 178.00 179.70 1whg h SER 101 N -0.06 0.00 0.70 -2.05 0.87 -1.94 0.86 113.55 111.93 1whg h SER 101 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 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 -0.67 0.00 -0.63 0.00 -0.53 0.00 0.00 176.83 175.00 1whg n ALA 102 N -2.24 3.15 -2.62 6.23 0.00 0.51 -4.78 120.51 120.76 1whg n ALA 102 Ca 0.01 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 1whg n ALA 102 Cb 0.33 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.12 5.14 -0.35 0.00 1.01 0.30 -2.68 120.40 120.70 1whg s VAL 103 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1whg s VAL 103 Cb 0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1whg s VAL 103 CO 0.72 0.07 0.37 -0.89 0.00 0.00 0.00 175.10 175.37 1whg s THR 104 N 1.71 5.16 -0.09 3.92 2.01 0.19 -4.88 115.64 123.66 1whg s THR 104 Ca 0.06 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 1whg s THR 104 Cb -0.17 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1whg s THR 104 CO 0.10 -0.12 0.94 -0.69 -0.69 0.00 0.00 174.62 174.15 1whg s VAL 105 N 2.02 4.84 -0.18 3.82 1.01 -1.26 0.10 120.40 130.76 1whg s VAL 105 Ca 0.12 1.91 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 1whg s VAL 105 Cb -0.17 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 1whg s VAL 105 CO 0.12 0.06 0.36 1.23 0.00 0.00 0.00 175.10 176.87 1whg h GLY 106 N 7.73 0.00 -1.55 4.51 0.00 -1.93 -3.48 103.07 108.35 1whg h GLY 106 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.62 1whg h GLY 106 CO 0.82 0.00 -0.35 1.34 0.00 0.00 0.00 176.54 178.36 1whg n ASP 107 N -4.51 -0.73 -4.26 0.19 -0.08 -1.26 -5.14 116.55 100.76 1whg n ASP 107 Ca -0.23 -2.84 -0.15 0.00 -1.51 0.00 0.00 54.79 50.07 1whg n ASP 107 Cb 0.57 1.60 -0.10 0.00 2.34 0.00 0.00 41.12 45.53 1whg n ASP 107 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1whg s SER 108 N -2.98 1.86 0.00 1.67 0.15 -1.26 -4.78 113.70 108.36 1whg s SER 108 Ca 0.32 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1whg s SER 108 Cb 0.01 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1whg s SER 108 CO 0.23 -0.33 0.10 0.61 1.20 0.00 0.00 173.24 175.04 1whg n GLY 109 N -0.23 -0.88 3.72 9.45 0.00 -1.26 -4.78 105.19 111.21 1whg n GLY 109 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 1.32 -1.13 1.61 0.04 -1.26 -4.16 135.00 131.23 1whg s PRO 110 Ca 0.00 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 1whg s PRO 110 Cb 0.00 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 1whg s PRO 110 CO 0.00 -2.20 0.94 0.43 0.04 0.00 0.00 177.00 176.22 1whg n SER 111 N -3.85 -2.38 -3.60 6.66 7.64 -1.26 -5.02 113.62 111.80 1whg n SER 111 Ca 0.07 -0.59 -0.03 0.00 1.01 0.00 0.00 58.87 59.33 1whg n SER 111 Cb 0.55 -4.90 -0.06 0.00 -1.01 0.00 0.00 64.21 58.80 1whg n SER 111 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whg s SER 112 N -4.22 -0.69 0.00 6.43 0.01 -1.26 -5.00 113.70 108.97 1whg s SER 112 Ca 0.03 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1whg s SER 112 Cb -0.00 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1whg s SER 112 CO 0.69 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.79