#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 0.39 -0.28 1.61 1.04 -1.26 -5.13 113.70 110.07 1whg s SER 2 Ca 0.00 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 1whg s SER 2 Cb 0.00 0.95 -0.01 0.00 0.10 0.00 0.00 66.02 67.06 1whg s SER 2 CO 0.00 -0.28 0.08 -0.44 0.98 0.00 0.00 173.24 173.58 1whg s SER 3 N 2.50 5.16 0.00 7.02 0.01 -1.26 -4.43 113.70 122.70 1whg s SER 3 Ca 0.07 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1whg s SER 3 Cb -0.14 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1whg s SER 3 CO -0.13 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1whg n GLY 4 N 4.91 0.85 2.97 3.44 0.00 -1.26 -5.07 105.19 111.03 1whg n GLY 4 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.96 0.37 0.02 1.61 0.01 -1.26 -5.16 113.70 108.33 1whg s SER 5 Ca 0.00 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1whg s SER 5 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 1whg s SER 5 CO 0.00 -0.18 -0.11 -0.94 0.41 0.00 0.00 173.24 172.43 1whg s SER 6 N -1.04 1.24 0.00 2.44 1.04 -1.26 -4.80 113.70 111.31 1whg s SER 6 Ca -0.09 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1whg s SER 6 Cb -0.07 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1whg s SER 6 CO -0.00 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1whg n GLY 7 N 2.27 1.94 3.45 7.32 0.00 -1.26 -5.14 105.19 113.77 1whg n GLY 7 Ca -0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 4.85 -0.21 1.61 3.84 -1.26 -4.97 114.94 118.80 1whg s ASN 8 Ca 0.00 -0.20 0.11 0.00 0.21 0.00 0.00 52.86 52.98 1whg s ASN 8 Cb 0.00 -1.83 -0.22 0.00 -0.55 0.00 0.00 41.25 38.65 1whg s ASN 8 CO 0.00 0.06 0.02 1.21 -2.79 0.00 0.00 177.10 175.60 1whg n GLU 9 N 4.26 0.68 0.18 0.43 2.13 -1.26 -4.32 120.64 122.74 1whg n GLU 9 Ca -0.17 0.08 0.06 0.00 0.66 0.00 0.00 57.16 57.79 1whg n GLU 9 Cb 0.52 -1.55 0.27 0.00 0.27 0.00 0.00 31.44 30.95 1whg n GLU 9 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1whg h GLU 10 N 0.00 0.00 -1.26 5.31 4.81 -2.06 -3.18 114.58 118.21 1whg h GLU 10 Ca -0.54 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.18 1whg h GLU 10 Cb 2.10 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 31.26 1whg h GLU 10 CO -0.01 0.38 0.67 -0.11 -0.73 0.00 0.00 179.01 179.21 1whg n LEU 11 N -3.40 7.14 -0.04 1.64 7.94 -1.26 -4.16 117.00 124.85 1whg n LEU 11 Ca 0.01 -3.84 0.02 0.00 -1.11 0.00 0.00 56.01 51.08 1whg n LEU 11 Cb 0.56 -1.02 -0.13 0.00 0.53 0.00 0.00 43.42 43.36 1whg n LEU 11 CO 0.37 1.36 -0.84 -1.14 -1.11 0.00 0.00 177.39 176.03 1whg n ARG 12 N -0.32 0.89 -0.11 1.96 0.63 -1.20 -4.33 116.66 114.17 1whg n ARG 12 Ca 0.48 -0.09 -0.15 0.00 -0.92 0.00 0.00 57.85 57.16 1whg n ARG 12 Cb 0.62 -1.41 -0.12 0.00 0.45 0.00 0.00 32.46 32.00 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 -2.31 1.50 -0.20 5.13 0.00 -1.26 -4.08 120.51 119.29 1whg n ALA 13 Ca -0.13 -1.05 0.04 0.00 0.00 0.00 0.00 53.44 52.30 1whg n ALA 13 Cb 0.70 -0.07 0.30 0.00 0.00 0.00 0.00 19.45 20.38 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 0.85 -0.89 0.00 5.75 -1.82 0.34 115.11 119.34 1whg h GLN 14 Ca -0.52 -0.05 -0.47 0.00 -0.15 0.00 0.00 58.65 57.46 1whg h GLN 14 Cb 1.88 -0.19 -0.28 0.00 1.07 0.00 0.00 27.48 29.97 1whg h GLN 14 CO -0.06 0.56 0.53 1.04 -2.65 0.00 0.00 178.83 178.25 1whg n GLN 15 N -4.46 2.20 0.00 1.69 6.02 -1.26 0.85 117.38 122.42 1whg n GLN 15 Ca 0.10 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 1whg n GLN 15 Cb 0.15 -2.12 0.00 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 -1.13 0.00 -0.06 -1.09 1.02 -0.48 -4.56 120.64 114.34 1whg n GLU 16 Ca 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 1whg n GLU 16 Cb 1.52 -0.20 -0.13 0.00 -0.02 0.00 0.00 31.44 32.61 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 -2.10 1.93 -0.13 0.62 0.00 0.11 -2.35 120.51 118.59 1whg n ALA 17 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.33 1whg n ALA 17 Cb 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 1whg n ALA 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1whg n GLU 18 N -2.44 0.58 -1.10 0.00 -0.58 -1.17 -3.44 120.64 112.49 1whg n GLU 18 Ca -0.19 0.30 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1whg n GLU 18 Cb 0.84 -1.52 0.16 0.00 -0.57 0.00 0.00 31.44 30.35 1whg n GLU 18 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1whg n ALA 19 N -4.17 5.31 0.09 0.62 0.00 0.25 -3.62 120.51 118.98 1whg n ALA 19 Ca -0.46 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1whg n ALA 19 Cb 0.80 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.95 1.50 0.11 0.00 0.00 -1.25 -4.60 120.51 115.32 1whg n ALA 20 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 1whg n ALA 20 Cb 1.51 0.00 0.09 0.00 0.00 0.00 0.00 19.45 21.04 1whg n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whg h GLN 21 N 0.00 0.02 -1.00 0.00 7.50 -1.51 -3.10 115.11 117.02 1whg h GLN 21 Ca 0.00 -0.02 -0.47 0.00 0.50 0.00 0.00 58.65 58.66 1whg h GLN 21 Cb 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.26 1whg h GLN 21 CO 0.00 0.74 0.60 0.54 -1.50 0.00 0.00 178.83 179.20 1whg n ARG 22 N -3.69 2.13 -1.19 1.46 5.12 -1.22 -4.15 116.66 115.12 1whg n ARG 22 Ca -0.01 -2.71 0.05 0.00 -1.93 0.00 0.00 57.85 53.24 1whg n ARG 22 Cb 0.71 -2.06 0.08 0.00 -1.16 0.00 0.00 32.46 30.02 1whg n ARG 22 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1whg n LEU 23 N -0.99 1.51 0.02 0.55 7.94 -1.17 -4.80 117.00 120.06 1whg n LEU 23 Ca 0.54 -2.57 -0.09 0.00 -1.11 0.00 0.00 56.01 52.78 1whg n LEU 23 Cb 1.56 -0.16 -0.13 0.00 0.53 0.00 0.00 43.42 45.21 1whg n LEU 23 CO 0.55 0.77 -0.25 0.28 -1.11 0.00 0.00 177.39 177.63 1whg h SER 24 N 0.97 0.07 -0.67 1.96 0.02 -1.75 -3.17 113.55 110.97 1whg h SER 24 Ca -0.15 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1whg h SER 24 Cb 1.61 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 64.09 1whg h SER 24 CO 0.07 1.09 0.41 1.05 -1.14 0.00 0.00 176.83 178.30 1whg h GLU 25 N 0.01 0.90 -0.06 3.45 4.11 -1.92 -0.55 114.58 120.53 1whg h GLU 25 Ca -0.18 -0.08 -0.15 0.00 0.07 0.00 0.00 59.36 59.02 1whg h GLU 25 Cb 1.92 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1whg h GLU 25 CO 0.11 0.64 -0.62 0.93 0.07 0.00 0.00 179.01 180.14 1whg h GLU 26 N 0.90 0.23 -0.08 1.06 5.08 -1.93 -3.03 114.58 116.81 1whg h GLU 26 Ca 0.24 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1whg h GLU 26 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1whg h GLU 26 CO -0.05 0.77 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.10 1whg h LYS 27 N 0.17 0.17 -0.57 2.33 3.64 -1.40 -2.48 116.57 118.43 1whg h LYS 27 Ca -0.01 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1whg h LYS 27 Cb 1.13 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1whg h LYS 27 CO 0.10 0.57 0.36 0.00 -2.27 0.00 0.00 179.45 178.21 1whg h ALA 28 N 1.42 0.73 -0.03 5.00 0.00 -0.99 0.99 119.26 126.39 1whg h ALA 28 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1whg h ALA 28 Cb 0.81 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1whg h ALA 28 CO 0.06 0.12 -0.67 1.96 0.00 0.00 0.00 179.25 180.72 1whg h GLN 29 N 0.73 0.13 0.00 0.00 4.20 -1.58 -3.00 115.11 115.58 1whg h GLN 29 Ca 0.22 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1whg h GLN 29 Cb -0.04 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1whg h GLN 29 CO -0.07 0.75 -0.17 0.00 -0.67 0.00 0.00 178.83 178.67 1whg h ALA 30 N 1.22 0.96 -0.80 3.87 0.00 -0.95 -3.08 119.26 120.48 1whg h ALA 30 Ca -0.01 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.28 1whg h ALA 30 Cb 1.20 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 1whg h ALA 30 CO 0.10 0.21 0.59 0.45 0.00 0.00 0.00 179.25 180.60 1whg n SER 31 N -3.23 4.77 0.00 0.00 2.88 0.29 -4.26 113.62 114.07 1whg n SER 31 Ca 0.01 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 1whg n SER 31 Cb 0.47 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 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 -0.70 2.49 -2.29 -1.46 0.00 -1.17 -4.89 120.51 112.48 1whg n ALA 32 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1whg n ALA 32 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.73 3.87 0.37 0.00 1.01 -1.17 -4.58 121.20 118.97 1whg s ILE 33 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 60.65 61.90 1whg s ILE 33 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1whg s ILE 33 CO 0.00 0.00 0.57 -0.44 0.00 0.00 0.00 174.94 175.07 1whg s SER 34 N 1.74 6.11 -0.15 3.58 0.01 -1.26 -4.87 113.70 118.85 1whg s SER 34 Ca 0.61 0.30 -0.21 0.00 1.31 0.00 0.00 55.95 57.97 1whg s SER 34 Cb -0.29 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1whg s SER 34 CO 0.25 -0.43 0.62 -0.69 0.41 0.00 0.00 173.24 173.40 1whg s VAL 35 N -2.36 5.06 0.00 3.43 1.01 -1.26 -4.18 120.40 122.09 1whg s VAL 35 Ca 0.43 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1whg s VAL 35 Cb -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1whg s VAL 35 CO 0.36 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1whg n GLY 36 N 3.52 1.81 3.11 4.51 0.00 0.19 -4.97 105.19 113.37 1whg n GLY 36 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 1.49 -0.06 1.61 0.01 -1.26 -4.89 113.70 108.61 1whg s SER 37 Ca 0.00 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 1whg s SER 37 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 1whg s SER 37 CO 0.00 0.04 1.05 -0.13 0.41 0.00 0.00 173.24 174.62 1whg s ARG 38 N -0.93 4.44 0.04 12.44 3.00 -1.26 -1.74 118.95 134.94 1whg s ARG 38 Ca 0.01 1.49 -0.08 0.00 0.00 0.00 0.00 55.73 57.15 1whg s ARG 38 Cb -0.07 -3.51 0.00 0.00 0.00 0.00 0.00 34.95 31.37 1whg s ARG 38 CO 0.01 -0.27 0.17 0.00 0.00 0.00 0.00 175.30 175.21 1whg s GLU 40 N -2.48 4.15 0.04 0.00 2.02 0.22 -1.55 118.70 121.10 1whg s GLU 40 Ca -0.06 0.91 0.04 0.00 0.02 0.00 0.00 54.97 55.88 1whg s GLU 40 Cb -0.02 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1whg s GLU 40 CO -0.04 0.11 -0.11 0.08 0.02 0.00 0.00 175.26 175.33 1whg s VAL 41 N -1.99 0.88 -0.35 2.63 1.01 -0.25 0.23 120.40 122.56 1whg s VAL 41 Ca 0.56 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1whg s VAL 41 Cb -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.49 1whg s VAL 41 CO 0.16 -0.10 0.11 -0.13 0.00 0.00 0.00 175.10 175.15 1whg s ARG 42 N -1.17 2.55 -0.10 2.72 1.81 -1.19 -2.27 118.95 121.29 1whg s ARG 42 Ca -0.02 -1.27 0.03 0.00 -1.72 0.00 0.00 55.73 52.76 1whg s ARG 42 Cb -0.08 -3.47 -0.00 0.00 -0.45 0.00 0.00 34.95 30.95 1whg s ARG 42 CO 0.01 -0.72 -0.23 0.00 -0.68 0.00 0.00 175.30 173.69 1whg s ALA 43 N 1.37 2.23 -1.36 2.13 0.00 -1.26 -5.03 121.76 119.84 1whg s ALA 43 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1whg s ALA 43 Cb -0.20 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 1whg s ALA 43 CO 0.02 0.29 2.64 -0.35 0.00 0.00 0.00 175.76 178.35 1whg n PRO 44 N 3.51 3.09 0.01 0.00 -0.04 -1.26 -3.78 135.00 136.54 1whg n PRO 44 Ca -0.19 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1whg n PRO 44 Cb 0.53 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.83 0.01 0.04 3.54 9.92 -1.26 -5.06 116.55 127.57 1whg n ASP 45 Ca 0.66 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1whg n ASP 45 Cb 0.19 0.02 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 -2.68 -0.54 -3.96 1.24 -0.00 -1.25 -5.18 115.22 102.86 1whg n HIS 46 Ca 0.00 0.10 0.01 0.00 0.46 0.00 0.00 57.72 58.29 1whg n HIS 46 Cb 0.11 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 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 -2.83 -0.44 -4.77 0.26 7.64 -1.26 -5.09 113.62 107.13 1whg n SER 47 Ca 0.00 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 1whg n SER 47 Cb 0.00 0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.87 1whg n SER 47 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1whg n LEU 48 N 0.00 4.68 -4.20 -3.43 4.77 -1.26 -4.39 117.00 113.17 1whg n LEU 48 Ca 0.02 1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 57.05 1whg n LEU 48 Cb 0.23 -1.62 -0.11 0.00 -2.33 0.00 0.00 43.42 39.59 1whg n LEU 48 CO 0.06 0.20 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.76 1whg s ARG 49 N -1.43 0.91 -0.27 3.23 1.81 -0.96 -4.97 118.95 117.26 1whg s ARG 49 Ca 0.58 -1.21 -0.09 0.00 -1.72 0.00 0.00 55.73 53.29 1whg s ARG 49 Cb -0.48 -0.62 -0.03 0.00 -0.45 0.00 0.00 34.95 33.37 1whg s ARG 49 CO 0.57 0.10 0.11 1.03 -0.68 0.00 0.00 175.30 176.44 1whg s ARG 50 N -2.87 3.70 0.08 3.54 1.81 -1.26 -1.09 118.95 122.86 1whg s ARG 50 Ca 0.07 -0.46 0.01 0.00 -1.72 0.00 0.00 55.73 53.63 1whg s ARG 50 Cb -0.03 -3.45 -0.00 0.00 -0.45 0.00 0.00 34.95 31.02 1whg s ARG 50 CO 0.01 -0.21 0.04 0.41 -0.68 0.00 0.00 175.30 174.86 1whg n GLY 51 N 4.97 3.88 3.15 -3.53 0.00 -0.59 -4.32 105.19 108.75 1whg n GLY 51 Ca -0.15 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.99 1.22 0.03 2.61 2.01 -0.91 -0.57 115.64 118.04 1whg s THR 52 Ca 0.06 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1whg s THR 52 Cb 0.00 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1whg s THR 52 CO 0.04 0.15 1.30 -0.69 -0.69 0.00 0.00 174.62 174.73 1whg s VAL 53 N -0.67 3.82 -0.03 3.82 1.01 -0.71 -2.74 120.40 124.90 1whg s VAL 53 Ca 0.04 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1whg s VAL 53 Cb -0.07 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1whg s VAL 53 CO 0.01 0.05 -0.03 0.23 0.00 0.00 0.00 175.10 175.36 1whg n MET 54 N 4.62 0.13 -3.89 2.72 2.81 -0.40 0.53 117.12 123.64 1whg n MET 54 Ca 0.11 0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.90 1whg n MET 54 Cb 0.45 -1.06 -0.13 0.00 -0.71 0.00 0.00 33.22 31.76 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 -2.06 0.04 -0.15 2.03 6.14 -1.23 -4.89 117.35 117.23 1whg s TYR 55 Ca -0.04 -0.07 -0.04 0.00 0.64 0.00 0.00 57.07 57.56 1whg s TYR 55 Cb 0.01 -0.03 0.06 0.00 0.42 0.00 0.00 41.96 42.42 1whg s TYR 55 CO 0.07 -0.05 0.12 0.08 0.64 0.00 0.00 175.55 176.41 1whg s VAL 56 N -0.30 -0.16 -3.21 3.14 1.01 -1.26 -1.51 120.40 118.12 1whg s VAL 56 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1whg s VAL 56 Cb -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1whg s VAL 56 CO -0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1whg n GLY 57 N 5.29 -1.03 3.90 4.51 0.00 -0.92 -5.02 105.19 111.93 1whg n GLY 57 Ca -0.06 -1.02 -0.28 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 2.90 0.00 0.99 1.43 -1.26 -0.17 118.68 122.57 1whg s LEU 58 Ca 0.00 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1whg s LEU 58 Cb 0.00 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1whg s LEU 58 CO 0.00 -1.41 0.09 0.35 0.23 0.00 0.00 176.35 175.60 1whg n THR 59 N -2.94 0.00 -0.03 5.49 -2.24 -1.26 -4.84 114.28 108.47 1whg n THR 59 Ca 0.07 -0.90 -0.04 0.00 -2.27 0.00 0.00 64.05 60.91 1whg n THR 59 Cb 0.59 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.27 3.50 0.20 3.42 8.00 -1.26 -4.62 116.55 123.52 1whg n ASP 60 Ca 0.01 -0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.54 1whg n ASP 60 Cb 0.23 0.12 0.52 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.09 -2.87 1.24 -5.15 -1.98 -3.43 116.94 104.84 1whg h PHE 61 Ca -0.16 -0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.49 1whg h PHE 61 Cb 1.28 -0.03 -0.22 0.00 0.22 0.00 0.00 35.95 37.20 1whg h PHE 61 CO 0.01 0.18 -0.24 0.15 -2.00 0.00 0.00 178.31 176.40 1whg s LYS 62 N -4.85 0.61 0.96 6.09 1.02 -1.26 -5.17 119.74 117.14 1whg s LYS 62 Ca -0.05 0.14 -0.13 0.00 0.02 0.00 0.00 55.97 55.94 1whg s LYS 62 Cb 0.16 0.28 0.17 0.00 -0.52 0.00 0.00 37.83 37.92 1whg s LYS 62 CO 0.70 -0.14 1.15 -1.25 -0.92 0.00 0.00 175.35 174.88 1whg s PRO 63 N -0.69 0.70 0.00 -1.68 0.04 -1.26 -4.12 135.00 127.99 1whg s PRO 63 Ca -0.08 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1whg s PRO 63 Cb -0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1whg s PRO 63 CO 0.03 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1whg n GLY 64 N -2.06 -1.39 3.69 0.56 0.00 -1.26 -4.86 105.19 99.87 1whg n GLY 64 Ca 0.08 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.80 3.51 0.13 1.61 1.51 -1.26 -4.12 117.35 116.93 1whg s TYR 65 Ca 0.00 1.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.67 1whg s TYR 65 Cb 0.00 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1whg s TYR 65 CO 0.00 -0.20 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.52 1whg s TRP 66 N 1.92 2.61 -0.07 2.71 0.52 0.76 -4.17 118.94 123.23 1whg s TRP 66 Ca 0.46 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.37 1whg s TRP 66 Cb -0.18 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1whg s TRP 66 CO 0.18 0.42 -0.09 0.08 0.02 0.00 0.00 176.95 177.56 1whg s VAL 67 N -1.28 0.92 -0.61 4.03 1.01 0.28 -2.17 120.40 122.58 1whg s VAL 67 Ca 0.20 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1whg s VAL 67 Cb -0.10 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.46 1whg s VAL 67 CO 0.12 0.32 0.87 -0.83 0.00 0.00 0.00 175.10 175.58 1whg s GLY 68 N 0.94 1.50 -0.15 4.51 0.00 -0.57 -0.86 107.32 112.69 1whg s GLY 68 Ca -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 1whg s GLY 68 CO 0.01 1.90 -0.01 0.14 0.00 0.00 0.00 173.10 175.13 1whg s VAL 69 N 3.63 4.12 -0.10 1.40 1.01 -0.29 -1.28 120.40 128.89 1whg s VAL 69 Ca 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1whg s VAL 69 Cb -0.18 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1whg s VAL 69 CO 0.11 0.51 -0.08 -0.60 0.00 0.00 0.00 175.10 175.04 1whg s ARG 70 N 0.13 3.03 0.51 2.72 3.52 -1.11 -0.39 118.95 127.37 1whg s ARG 70 Ca 0.00 -0.58 0.09 0.00 -0.13 0.00 0.00 55.73 55.11 1whg s ARG 70 Cb -0.13 -2.65 0.05 0.00 -1.56 0.00 0.00 34.95 30.66 1whg s ARG 70 CO 0.02 0.49 0.67 0.71 -0.81 0.00 0.00 175.30 176.38 1whg s TYR 71 N -0.35 1.97 -0.09 5.12 2.02 -1.05 -2.14 117.35 122.83 1whg s TYR 71 Ca 0.05 -0.61 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 1whg s TYR 71 Cb -0.12 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1whg s TYR 71 CO 0.02 -0.80 0.14 -0.44 -1.57 0.00 0.00 175.55 172.91 1whg h ASP 72 N 0.43 -0.06 -3.57 2.29 5.19 -1.91 -3.47 116.42 115.33 1whg h ASP 72 Ca -0.34 -0.07 -0.52 0.00 -0.62 0.00 0.00 57.03 55.48 1whg h ASP 72 Cb 1.29 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.78 1whg h ASP 72 CO 0.44 0.46 0.02 -1.61 -3.12 0.00 0.00 179.24 175.44 1whg s GLU 73 N -1.84 3.99 -0.84 3.56 2.02 -1.26 -4.94 118.70 119.39 1whg s GLU 73 Ca -0.02 0.58 -0.21 0.00 0.02 0.00 0.00 54.97 55.34 1whg s GLU 73 Cb -0.00 -2.64 -0.20 0.00 0.10 0.00 0.00 34.13 31.40 1whg s GLU 73 CO 0.08 0.29 2.26 -2.30 0.02 0.00 0.00 175.26 175.60 1whg n PRO 74 N 0.05 0.34 -1.62 0.39 -0.02 -1.26 -4.56 135.00 128.32 1whg n PRO 74 Ca 0.00 -0.68 0.04 0.00 -2.02 0.00 0.00 63.50 60.84 1whg n PRO 74 Cb 0.52 -2.91 0.03 0.00 -0.02 0.00 0.00 33.50 31.12 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 14.86 1.11 0.00 2.45 4.77 -0.83 -4.94 117.00 134.41 1whg n LEU 75 Ca 0.50 -2.15 -0.06 0.00 -0.03 0.00 0.00 56.01 54.27 1whg n LEU 75 Cb 0.36 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1whg n LEU 75 CO 0.69 0.58 0.02 0.61 -1.33 0.00 0.00 177.39 177.96 1whg n GLY 76 N 0.35 2.92 0.60 -0.72 0.00 -0.80 -4.89 105.19 102.65 1whg n GLY 76 Ca 0.06 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.81 0.00 -2.37 1.61 5.02 -1.26 -4.35 118.16 116.00 1whg n LYS 77 Ca -0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 1whg n LYS 77 Cb 0.13 -0.62 0.13 0.00 -0.02 0.00 0.00 35.03 34.65 1whg n LYS 77 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whg s ASN 78 N -4.31 4.05 -0.06 4.39 0.01 -1.07 -4.22 114.94 113.73 1whg s ASN 78 Ca 0.00 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 1whg s ASN 78 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1whg s ASN 78 CO 0.00 -2.08 -0.04 -0.67 -1.51 0.00 0.00 177.10 172.80 1whg n ASP 79 N -3.10 3.57 0.00 -1.22 -0.08 -1.26 -2.49 116.55 111.97 1whg n ASP 79 Ca 0.14 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1whg n ASP 79 Cb 0.60 0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.10 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 3.11 1.47 3.47 0.27 0.00 -1.26 -3.78 105.19 108.47 1whg n GLY 80 Ca -0.10 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1whg n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whg s SER 81 N 0.00 5.64 -0.09 1.61 1.04 -1.26 -3.22 113.70 117.42 1whg s SER 81 Ca 0.00 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.02 1whg s SER 81 Cb 0.00 -2.03 -0.00 0.00 0.10 0.00 0.00 66.02 64.09 1whg s SER 81 CO 0.00 -0.18 -0.24 -0.69 0.98 0.00 0.00 173.24 173.12 1whg s VAL 82 N 1.64 2.01 -1.93 5.02 1.01 -0.59 -4.65 120.40 122.91 1whg s VAL 82 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1whg s VAL 82 Cb -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1whg s VAL 82 CO 0.07 0.55 0.00 0.59 0.00 0.00 0.00 175.10 176.31 1whg n ASN 83 N 3.48 -5.67 0.00 3.32 5.03 -1.26 -1.42 115.26 118.75 1whg n ASN 83 Ca -0.19 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1whg n ASN 83 Cb 0.53 -4.83 0.00 0.00 -1.02 0.00 0.00 39.78 34.45 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 -0.75 2.86 3.76 7.41 0.00 -1.26 -5.03 105.19 112.18 1whg n GLY 84 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.01 3.16 -0.13 1.61 2.47 -0.50 -5.02 119.74 121.31 1whg s LYS 85 Ca 0.00 1.71 0.02 0.00 -1.56 0.00 0.00 55.97 56.14 1whg s LYS 85 Cb 0.00 -1.97 0.01 0.00 -1.46 0.00 0.00 37.83 34.41 1whg s LYS 85 CO 0.00 -1.03 -0.21 0.50 0.16 0.00 0.00 175.35 174.77 1whg s ARG 86 N -3.32 2.86 -0.06 4.03 3.52 -1.26 -1.55 118.95 123.17 1whg s ARG 86 Ca 0.75 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 55.48 1whg s ARG 86 Cb -0.27 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1whg s ARG 86 CO 0.30 -0.03 -0.15 0.66 -0.81 0.00 0.00 175.30 175.27 1whg n TYR 87 N 4.11 0.00 -4.30 5.12 4.01 -1.20 -5.05 117.16 119.85 1whg n TYR 87 Ca -0.20 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.38 1whg n TYR 87 Cb 0.51 -0.30 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.33 1.50 -0.27 -0.72 -0.12 -1.26 -4.63 117.98 110.15 1whg s PHE 88 Ca -0.14 -1.20 -0.06 0.00 -0.05 0.00 0.00 56.93 55.48 1whg s PHE 88 Cb 0.04 -0.86 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 1whg s PHE 88 CO 0.20 -0.36 0.04 -1.21 -0.05 0.00 0.00 175.22 173.83 1whg s GLU 89 N -4.04 3.21 0.02 1.99 2.02 -1.26 -4.54 118.70 116.10 1whg s GLU 89 Ca 0.38 -0.76 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 1whg s GLU 89 Cb 0.08 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 31.11 1whg s GLU 89 CO 0.13 -0.35 0.75 0.00 0.02 0.00 0.00 175.26 175.82 1whg n GLN 91 N -0.54 0.67 -2.17 0.00 -0.06 -1.25 -4.60 117.38 109.43 1whg n GLN 91 Ca 0.02 -2.60 -0.32 0.00 -2.00 0.00 0.00 57.00 52.09 1whg n GLN 91 Cb 0.36 -0.20 -0.01 0.00 -4.06 0.00 0.00 30.24 26.33 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whg s ALA 92 N -2.58 2.88 -1.70 1.69 0.00 -1.26 -3.64 121.76 117.15 1whg s ALA 92 Ca 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1whg s ALA 92 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1whg s ALA 92 CO 0.32 -0.58 0.21 1.63 0.00 0.00 0.00 175.76 177.34 1whg n LYS 93 N -1.90 -2.79 0.07 0.00 5.02 -1.04 -4.80 118.16 112.72 1whg n LYS 93 Ca 0.08 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1whg n LYS 93 Cb 0.53 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -4.19 -1.02 -3.35 2.13 4.01 -1.24 -1.91 117.16 111.59 1whg n TYR 94 Ca -0.20 0.18 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1whg n TYR 94 Cb 0.66 0.36 -0.09 0.00 -0.31 0.00 0.00 39.34 39.96 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 -4.78 1.88 -0.03 2.72 0.00 -1.24 -2.52 107.32 103.35 1whg s GLY 95 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1whg s GLY 95 CO 0.00 1.08 0.05 0.00 0.00 0.00 0.00 173.10 174.23 1whg s ALA 96 N 2.13 3.47 -0.36 3.20 0.00 0.48 -2.58 121.76 128.10 1whg s ALA 96 Ca 0.14 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1whg s ALA 96 Cb -0.16 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1whg s ALA 96 CO 0.12 0.65 0.32 -0.06 0.00 0.00 0.00 175.76 176.79 1whg s PHE 97 N -1.09 3.22 0.42 0.00 0.08 -1.26 -1.14 117.98 118.21 1whg s PHE 97 Ca 0.19 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.09 1whg s PHE 97 Cb -0.12 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 1whg s PHE 97 CO 0.10 -0.45 0.03 0.14 -0.10 0.00 0.00 175.22 174.93 1whg s VAL 98 N 1.88 1.46 0.08 -0.44 -7.23 -0.04 -4.88 120.40 111.24 1whg s VAL 98 Ca 0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1whg s VAL 98 Cb -0.17 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1whg s VAL 98 CO 0.11 0.00 0.30 -0.54 -0.31 0.00 0.00 175.10 174.66 1whg s LYS 99 N -3.79 3.56 0.20 4.82 -0.14 -1.26 0.10 119.74 123.23 1whg s LYS 99 Ca 0.26 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.51 1whg s LYS 99 Cb 0.07 -2.96 0.18 0.00 -1.68 0.00 0.00 37.83 33.43 1whg s LYS 99 CO 0.13 0.55 1.60 -1.35 -0.76 0.00 0.00 175.35 175.52 1whg h PRO 100 N 3.20 -0.10 -0.15 -1.68 0.11 -1.91 1.59 132.00 133.07 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 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.72 -0.06 0.22 0.77 -0.21 0.00 0.00 178.00 179.43 1whg h SER 101 N -0.10 0.00 0.63 -2.05 0.02 -1.93 0.82 113.55 110.95 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1whg h SER 101 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1whg h SER 101 CO -0.67 0.00 -0.71 0.00 -1.14 0.00 0.00 176.83 174.31 1whg n ALA 102 N -2.23 3.25 -2.54 3.77 0.00 0.51 -4.79 120.51 118.47 1whg n ALA 102 Ca 0.01 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 1whg n ALA 102 Cb 0.33 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.13 5.16 -0.43 0.00 1.01 0.28 -3.16 120.40 120.14 1whg s VAL 103 Ca 0.07 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1whg s VAL 103 Cb 0.15 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1whg s VAL 103 CO 0.74 -0.10 0.36 -0.89 0.00 0.00 0.00 175.10 175.21 1whg s THR 104 N 2.03 5.20 0.00 3.92 2.01 0.14 -4.89 115.64 124.04 1whg s THR 104 Ca 0.12 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 1whg s THR 104 Cb -0.17 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1whg s THR 104 CO 0.12 -0.41 0.79 -0.69 -0.69 0.00 0.00 174.62 173.74 1whg s VAL 105 N 1.82 4.85 -0.20 3.82 1.01 -1.26 0.69 120.40 131.12 1whg s VAL 105 Ca 0.07 1.66 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1whg s VAL 105 Cb -0.20 -4.13 0.46 0.00 0.00 0.00 0.00 36.38 32.51 1whg s VAL 105 CO 0.10 0.29 1.17 0.61 0.00 0.00 0.00 175.10 177.27 1whg n GLY 106 N 2.70 3.56 2.25 4.51 0.00 -1.26 -4.95 105.19 112.00 1whg n GLY 106 Ca -0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 1whg n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whg n ASP 107 N -0.50 -1.01 -4.50 1.61 5.75 -1.26 -5.05 116.55 111.60 1whg n ASP 107 Ca 0.20 -2.20 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 1whg n ASP 107 Cb 0.90 1.82 -0.10 0.00 -1.03 0.00 0.00 41.12 42.71 1whg n ASP 107 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1whg s SER 108 N -2.40 3.29 0.00 -1.12 0.15 -1.26 -5.10 113.70 107.26 1whg s SER 108 Ca 0.17 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1whg s SER 108 Cb -0.01 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1whg s SER 108 CO 0.12 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1whg n GLY 109 N -0.71 0.89 3.66 9.45 0.00 -1.26 -5.03 105.19 112.19 1whg n GLY 109 Ca -0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.77 -0.01 0.35 1.61 0.04 -1.26 -4.96 135.00 129.00 1whg s PRO 110 Ca 0.00 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 1whg s PRO 110 Cb 0.00 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 1whg s PRO 110 CO 0.00 -2.99 1.52 -1.12 0.04 0.00 0.00 177.00 174.45 1whg s SER 111 N -3.58 6.35 0.28 6.66 0.01 -1.26 -4.88 113.70 117.29 1whg s SER 111 Ca 0.67 3.02 -0.29 0.00 1.31 0.00 0.00 55.95 60.65 1whg s SER 111 Cb -0.16 -2.66 -0.10 0.00 0.21 0.00 0.00 66.02 63.31 1whg s SER 111 CO 0.57 -0.89 1.33 -0.55 0.41 0.00 0.00 173.24 174.11 1whg s SER 112 N 0.06 6.80 0.00 2.44 0.15 -1.26 -5.01 113.70 116.88 1whg s SER 112 Ca 0.56 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.81 1whg s SER 112 Cb -0.47 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 1whg s SER 112 CO 0.58 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.08