#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 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.79 1whg n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whg n SER 2 Cb 0.00 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1whg n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whg n SER 3 N -1.33 0.00 0.00 -3.46 7.64 -1.26 -4.82 113.62 110.39 1whg n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1whg n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1whg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whg n GLY 4 N 0.00 0.76 2.03 0.23 0.00 -1.26 -5.06 105.19 101.88 1whg n GLY 4 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1whg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whg n SER 5 N 1.43 -0.56 -2.82 1.61 7.64 -1.26 -5.14 113.62 114.52 1whg n SER 5 Ca 0.00 0.23 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 1whg n SER 5 Cb 0.00 0.68 0.09 0.00 -1.01 0.00 0.00 64.21 63.97 1whg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whg n SER 6 N -2.86 -0.08 -0.09 6.43 7.64 -1.26 -5.05 113.62 118.34 1whg n SER 6 Ca 0.00 -1.17 -0.14 0.00 1.01 0.00 0.00 58.87 58.57 1whg n SER 6 Cb 0.00 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 1whg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whg n GLY 7 N 1.14 -0.75 2.40 0.23 0.00 -1.26 -4.98 105.19 101.97 1whg n GLY 7 Ca 0.07 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.48 -5.83 0.07 1.61 3.02 -1.26 -4.88 115.26 103.52 1whg n ASN 8 Ca -0.22 -0.03 -0.13 0.00 -0.03 0.00 0.00 54.58 54.17 1whg n ASN 8 Cb 0.52 -4.84 -0.13 0.00 -0.61 0.00 0.00 39.78 34.72 1whg n ASN 8 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1whg h GLU 9 N -0.03 0.17 0.00 3.52 5.08 -2.00 -3.19 114.58 118.12 1whg h GLU 9 Ca -0.49 -0.29 -0.22 0.00 -1.00 0.00 0.00 59.36 57.36 1whg h GLU 9 Cb 1.36 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 1whg h GLU 9 CO 0.57 1.07 -1.80 0.39 -1.00 0.00 0.00 179.01 178.25 1whg n GLU 10 N -3.42 0.65 -1.10 2.33 -0.58 -1.26 -4.14 120.64 113.10 1whg n GLU 10 Ca -0.09 0.12 -0.22 0.00 -0.42 0.00 0.00 57.16 56.55 1whg n GLU 10 Cb 1.01 -1.69 0.15 0.00 -0.57 0.00 0.00 31.44 30.33 1whg n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1whg n LEU 11 N -2.80 6.45 0.10 -4.62 7.94 -1.25 -4.36 117.00 118.45 1whg n LEU 11 Ca -0.17 -3.45 -0.17 0.00 -1.11 0.00 0.00 56.01 51.12 1whg n LEU 11 Cb 0.93 -0.82 -0.14 0.00 0.53 0.00 0.00 43.42 43.92 1whg n LEU 11 CO 0.44 1.04 -0.12 -0.09 -1.11 0.00 0.00 177.39 177.55 1whg h ARG 12 N 1.00 0.29 0.01 1.96 9.65 -1.71 -3.20 114.38 122.39 1whg h ARG 12 Ca 0.56 -0.49 -0.32 0.00 -1.10 0.00 0.00 59.98 58.64 1whg h ARG 12 Cb 2.44 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 31.15 1whg h ARG 12 CO 1.03 1.21 -1.90 0.00 2.80 0.00 0.00 179.97 183.12 1whg n ALA 13 N -2.57 1.45 0.26 2.80 0.00 -1.26 -4.05 120.51 117.14 1whg n ALA 13 Ca -0.11 -0.89 0.12 0.00 0.00 0.00 0.00 53.44 52.57 1whg n ALA 13 Cb 1.03 -0.68 0.70 0.00 0.00 0.00 0.00 19.45 20.51 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 0.01 0.00 -1.12 0.00 4.15 -1.80 -2.54 115.11 113.81 1whg h GLN 14 Ca -0.36 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.52 1whg h GLN 14 Cb 2.07 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 29.51 1whg h GLN 14 CO 0.07 0.13 0.69 1.04 -1.93 0.00 0.00 178.83 178.83 1whg n GLN 15 N -3.63 2.33 -0.07 1.69 6.02 -1.21 -3.50 117.38 119.02 1whg n GLN 15 Ca -0.02 -2.71 -0.12 0.00 -0.01 0.00 0.00 57.00 54.14 1whg n GLN 15 Cb 0.25 -2.06 -0.06 0.00 1.02 0.00 0.00 30.24 29.39 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 -0.63 0.32 -0.03 -1.09 1.02 -0.96 -4.58 120.64 114.70 1whg n GLU 16 Ca 0.52 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.73 1whg n GLU 16 Cb 0.85 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 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 -3.27 1.87 0.26 0.62 0.00 -1.26 -4.62 120.51 114.11 1whg n ALA 17 Ca -0.26 -0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.07 1whg n ALA 17 Cb 0.73 0.35 0.60 0.00 0.00 0.00 0.00 19.45 21.13 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 0.00 -0.80 0.00 5.08 -1.88 -2.73 114.58 114.25 1whg h GLU 18 Ca -0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1whg h GLU 18 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1whg h GLU 18 CO -0.02 0.08 0.14 0.00 -1.00 0.00 0.00 179.01 178.21 1whg n ALA 19 N -2.14 3.86 -0.09 3.43 0.00 -1.25 -4.01 120.51 120.31 1whg n ALA 19 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 53.44 51.79 1whg n ALA 19 Cb 0.35 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 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 0.10 1.57 0.06 0.00 0.00 -1.03 -4.36 120.51 116.86 1whg n ALA 20 Ca 0.27 -1.11 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 1whg n ALA 20 Cb 1.05 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 20.27 1whg n ALA 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1whg h GLN 21 N 0.00 0.06 -0.82 0.00 3.07 -1.75 -2.81 115.11 112.87 1whg h GLN 21 Ca -0.47 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.16 1whg h GLN 21 Cb 2.03 0.04 -0.04 0.00 0.08 0.00 0.00 27.48 29.59 1whg h GLN 21 CO 0.02 1.01 0.51 0.00 0.09 0.00 0.00 178.83 180.46 1whg h ARG 22 N 0.02 1.10 -0.48 0.06 2.47 -1.78 -2.45 114.38 113.32 1whg h ARG 22 Ca -0.06 -0.09 -0.26 0.00 -1.26 0.00 0.00 59.98 58.31 1whg h ARG 22 Cb 1.84 -0.24 -0.16 0.00 -1.65 0.00 0.00 29.97 29.76 1whg h ARG 22 CO 0.14 0.76 0.01 -0.11 0.56 0.00 0.00 179.97 181.33 1whg n LEU 23 N -4.39 4.63 0.05 3.04 7.94 -1.24 -4.63 117.00 122.41 1whg n LEU 23 Ca 0.09 -3.84 -0.06 0.00 -1.11 0.00 0.00 56.01 51.10 1whg n LEU 23 Cb 0.05 -0.66 0.13 0.00 0.53 0.00 0.00 43.42 43.47 1whg n LEU 23 CO 0.37 1.30 0.55 0.28 -1.11 0.00 0.00 177.39 178.78 1whg h SER 24 N 1.09 0.41 -0.74 1.96 0.02 -1.15 -2.62 113.55 112.51 1whg h SER 24 Ca 0.30 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1whg h SER 24 Cb 1.78 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 64.17 1whg h SER 24 CO 0.54 0.84 0.46 -0.33 -1.14 0.00 0.00 176.83 177.21 1whg h GLU 25 N 0.30 0.99 0.00 3.45 5.08 -1.82 0.23 114.58 122.81 1whg h GLU 25 Ca 0.01 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1whg h GLU 25 Cb 0.98 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1whg h GLU 25 CO 0.08 0.68 -0.85 0.93 -1.00 0.00 0.00 179.01 178.86 1whg h GLU 26 N 1.01 0.08 -0.03 2.33 5.08 -1.88 -3.13 114.58 118.04 1whg h GLU 26 Ca 0.27 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1whg h GLU 26 Cb -0.07 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1whg h GLU 26 CO -0.05 0.88 -0.91 -0.22 -1.00 0.00 0.00 179.01 177.70 1whg h LYS 27 N 0.04 0.53 -0.64 2.33 3.64 -0.99 -1.84 116.57 119.65 1whg h LYS 27 Ca -0.02 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1whg h LYS 27 Cb 1.48 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 1whg h LYS 27 CO 0.12 1.16 0.30 0.00 -2.27 0.00 0.00 179.45 178.76 1whg h ALA 28 N 0.67 1.33 0.06 5.00 0.00 -0.61 0.27 119.26 125.99 1whg h ALA 28 Ca -0.08 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 1whg h ALA 28 Cb 1.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1whg h ALA 28 CO 0.17 0.52 -1.16 1.96 0.00 0.00 0.00 179.25 180.74 1whg h GLN 29 N 0.90 0.14 0.00 0.00 4.20 -1.55 -3.26 115.11 115.53 1whg h GLN 29 Ca 0.22 -0.23 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1whg h GLN 29 Cb 0.10 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1whg h GLN 29 CO -0.03 1.09 -0.66 0.00 -0.67 0.00 0.00 178.83 178.56 1whg h ALA 30 N 0.78 0.78 -0.90 3.87 0.00 -0.92 -3.13 119.26 119.74 1whg h ALA 30 Ca -0.09 -0.60 -0.49 0.00 0.00 0.00 0.00 54.91 53.73 1whg h ALA 30 Cb 1.88 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 19.29 1whg h ALA 30 CO 0.16 0.83 0.62 0.43 0.00 0.00 0.00 179.25 181.29 1whg n SER 31 N -3.57 4.16 -1.33 0.00 7.64 0.91 -4.12 113.62 117.30 1whg n SER 31 Ca -0.00 -3.47 0.02 0.00 1.01 0.00 0.00 58.87 56.43 1whg n SER 31 Cb 0.69 -0.83 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whg n ALA 32 N -0.95 2.47 -3.56 -0.43 0.00 -1.18 -4.98 120.51 111.88 1whg n ALA 32 Ca 0.54 -2.01 -0.29 0.00 0.00 0.00 0.00 53.44 51.68 1whg n ALA 32 Cb 1.44 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.14 0.54 0.00 1.01 -1.26 -3.67 121.20 117.96 1whg s ILE 33 Ca 0.27 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.62 1whg s ILE 33 Cb 0.30 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1whg s ILE 33 CO -0.13 -0.78 1.26 -0.44 0.00 0.00 0.00 174.94 174.85 1whg s SER 34 N 1.78 5.48 0.01 3.58 0.01 -1.26 -4.96 113.70 118.34 1whg s SER 34 Ca 0.11 2.53 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 1whg s SER 34 Cb -0.18 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 1whg s SER 34 CO -0.27 -1.41 0.98 -0.69 0.41 0.00 0.00 173.24 172.26 1whg s VAL 35 N -1.45 4.83 0.00 3.43 1.01 -1.26 -3.82 120.40 123.14 1whg s VAL 35 Ca 0.71 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.75 1whg s VAL 35 Cb -0.34 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1whg s VAL 35 CO 0.40 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1whg n GLY 36 N 2.83 1.67 3.12 4.51 0.00 0.28 -4.98 105.19 112.62 1whg n GLY 36 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.11 2.19 0.10 1.61 0.01 -1.25 -4.91 113.70 109.34 1whg s SER 37 Ca 0.00 -0.37 -0.31 0.00 1.31 0.00 0.00 55.95 56.58 1whg s SER 37 Cb 0.00 -0.79 -0.09 0.00 0.21 0.00 0.00 66.02 65.36 1whg s SER 37 CO 0.00 0.12 1.65 -0.13 0.41 0.00 0.00 173.24 175.29 1whg s ARG 38 N 0.26 4.20 0.03 12.44 1.81 -1.26 -3.06 118.95 133.37 1whg s ARG 38 Ca -0.09 2.36 -0.06 0.00 -1.72 0.00 0.00 55.73 56.22 1whg s ARG 38 Cb -0.14 -3.48 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 1whg s ARG 38 CO 0.04 -0.71 0.11 0.00 -0.68 0.00 0.00 175.30 174.06 1whg s GLU 40 N -2.31 3.30 -0.04 0.00 2.12 0.29 -1.78 118.70 120.29 1whg s GLU 40 Ca -0.07 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1whg s GLU 40 Cb -0.03 -2.28 0.03 0.00 0.26 0.00 0.00 34.13 32.11 1whg s GLU 40 CO -0.03 -0.48 -0.00 0.08 -0.54 0.00 0.00 175.26 174.29 1whg s VAL 41 N -2.93 0.23 -0.34 3.70 1.01 -0.53 0.28 120.40 121.82 1whg s VAL 41 Ca 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 1whg s VAL 41 Cb -0.11 -0.33 0.08 0.00 0.00 0.00 0.00 36.38 36.03 1whg s VAL 41 CO 0.47 0.17 0.07 -0.60 0.00 0.00 0.00 175.10 175.21 1whg s ARG 42 N 1.17 2.03 0.05 2.72 3.52 0.44 -2.92 118.95 125.96 1whg s ARG 42 Ca -0.08 -1.61 0.02 0.00 -0.13 0.00 0.00 55.73 53.93 1whg s ARG 42 Cb -0.13 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1whg s ARG 42 CO -0.02 -0.85 -0.08 0.00 -0.81 0.00 0.00 175.30 173.54 1whg s ALA 43 N 1.11 0.63 -0.98 6.12 0.00 -1.26 -4.76 121.76 122.63 1whg s ALA 43 Ca 0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 1whg s ALA 43 Cb -0.21 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 1whg s ALA 43 CO -0.04 -0.03 2.16 -0.35 0.00 0.00 0.00 175.76 177.50 1whg n PRO 44 N 1.31 2.17 0.00 0.00 -0.04 -1.26 -3.83 135.00 133.35 1whg n PRO 44 Ca -0.22 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1whg n PRO 44 Cb 0.55 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 4.78 0.03 0.00 3.54 9.92 -1.26 -5.08 116.55 128.47 1whg n ASP 45 Ca 0.49 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1whg n ASP 45 Cb 0.20 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 -2.85 -0.72 -3.61 1.24 -0.00 -1.25 -5.18 115.22 102.85 1whg n HIS 46 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1whg n HIS 46 Cb 0.31 0.32 0.01 0.00 -0.12 0.00 0.00 29.99 30.51 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 -1.96 -1.12 -4.69 0.26 7.64 -1.26 -5.07 113.62 107.42 1whg n SER 47 Ca 0.00 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1whg n SER 47 Cb 0.00 1.83 -0.03 0.00 -1.01 0.00 0.00 64.21 65.01 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 4.28 0.38 -3.43 1.43 -1.26 -4.64 118.68 115.44 1whg s LEU 48 Ca 0.12 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 1whg s LEU 48 Cb -0.02 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 1whg s LEU 48 CO 0.04 -0.60 0.05 -0.13 0.23 0.00 0.00 176.35 175.95 1whg s ARG 49 N 2.28 1.82 -0.05 1.70 0.52 -1.15 -4.92 118.95 119.14 1whg s ARG 49 Ca 0.56 -2.05 0.03 0.00 -0.52 0.00 0.00 55.73 53.76 1whg s ARG 49 Cb -0.25 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.12 1whg s ARG 49 CO 0.22 -0.22 -0.13 1.03 0.02 0.00 0.00 175.30 176.22 1whg s ARG 50 N -3.82 2.55 0.00 3.54 0.52 -1.26 -1.46 118.95 119.01 1whg s ARG 50 Ca 0.31 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1whg s ARG 50 Cb 0.07 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1whg s ARG 50 CO 0.15 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.50 1whg n GLY 51 N 2.32 4.89 3.37 -3.53 0.00 -0.73 -3.93 105.19 107.57 1whg n GLY 51 Ca -0.17 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1whg n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whg s THR 52 N 0.91 -0.01 0.06 2.61 2.01 -0.10 -3.14 115.64 117.99 1whg s THR 52 Ca 0.00 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 1whg s THR 52 Cb 0.00 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 1whg s THR 52 CO 0.00 0.01 1.34 -0.69 -0.69 0.00 0.00 174.62 174.59 1whg s VAL 53 N 0.81 3.63 -0.05 3.82 1.01 -1.17 -0.96 120.40 127.48 1whg s VAL 53 Ca -0.04 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1whg s VAL 53 Cb -0.05 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1whg s VAL 53 CO -0.06 0.06 -0.06 0.23 0.00 0.00 0.00 175.10 175.27 1whg n MET 54 N 4.40 0.13 -3.93 2.72 2.81 -0.56 -0.55 117.12 122.13 1whg n MET 54 Ca 0.11 0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1whg n MET 54 Cb 0.44 -0.99 -0.14 0.00 -0.71 0.00 0.00 33.22 31.82 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 -2.11 0.12 -0.04 2.03 6.14 -1.26 -4.91 117.35 117.32 1whg s TYR 55 Ca -0.07 -0.09 -0.01 0.00 0.64 0.00 0.00 57.07 57.53 1whg s TYR 55 Cb 0.02 -0.08 0.03 0.00 0.42 0.00 0.00 41.96 42.36 1whg s TYR 55 CO 0.12 -0.02 0.08 0.08 0.64 0.00 0.00 175.55 176.44 1whg s VAL 56 N -0.22 -0.08 -2.09 3.14 1.01 -1.26 -0.47 120.40 120.43 1whg s VAL 56 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1whg s VAL 56 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1whg s VAL 56 CO -0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1whg n GLY 57 N 4.46 -0.46 4.03 4.51 0.00 -0.86 -5.01 105.19 111.86 1whg n GLY 57 Ca -0.22 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 3.20 0.33 0.99 1.43 -1.26 0.48 118.68 123.84 1whg s LEU 58 Ca 0.00 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1whg s LEU 58 Cb 0.00 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1whg s LEU 58 CO 0.00 -1.27 0.38 0.42 0.23 0.00 0.00 176.35 176.11 1whg s THR 59 N -2.64 0.00 -0.08 5.49 -4.23 -1.24 -4.77 115.64 108.17 1whg s THR 59 Ca 0.61 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1whg s THR 59 Cb -0.07 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 1whg s THR 59 CO 0.38 0.00 -0.03 0.47 -0.54 0.00 0.00 174.62 174.91 1whg n ASP 60 N -1.40 3.31 -0.06 3.99 9.92 -1.26 -4.63 116.55 126.42 1whg n ASP 60 Ca 0.04 -0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.24 1whg n ASP 60 Cb 0.62 0.27 0.20 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 0.73 -3.87 1.24 -5.15 -1.98 -3.44 116.94 104.47 1whg h PHE 61 Ca -0.19 -0.10 -0.25 0.00 -0.20 0.00 0.00 57.97 57.23 1whg h PHE 61 Cb 1.37 -0.20 -0.25 0.00 0.22 0.00 0.00 35.95 37.08 1whg h PHE 61 CO 0.00 0.71 -0.73 0.15 -2.00 0.00 0.00 178.31 176.45 1whg s LYS 62 N -4.90 0.27 0.40 6.09 -0.14 -1.26 -5.11 119.74 115.08 1whg s LYS 62 Ca -0.09 -0.31 -0.24 0.00 -1.36 0.00 0.00 55.97 53.97 1whg s LYS 62 Cb 0.15 -0.13 -0.09 0.00 -1.68 0.00 0.00 37.83 36.08 1whg s LYS 62 CO 0.80 0.03 1.05 -1.25 -0.76 0.00 0.00 175.35 175.21 1whg s PRO 63 N -0.62 4.18 0.00 -1.68 0.04 -1.26 -4.27 135.00 131.39 1whg s PRO 63 Ca -0.05 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1whg s PRO 63 Cb -0.04 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1whg s PRO 63 CO -0.00 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1whg n GLY 64 N 0.34 -1.36 3.88 0.56 0.00 -1.26 -5.01 105.19 102.33 1whg n GLY 64 Ca 0.05 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.32 3.59 0.21 1.61 2.02 -1.26 -3.74 117.35 119.46 1whg s TYR 65 Ca 0.00 0.62 0.08 0.00 -0.37 0.00 0.00 57.07 57.40 1whg s TYR 65 Cb 0.00 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 1whg s TYR 65 CO 0.00 0.62 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.88 1whg s TRP 66 N -1.25 1.74 -0.24 2.71 0.52 0.18 -4.56 118.94 118.03 1whg s TRP 66 Ca 0.26 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 1whg s TRP 66 Cb -0.13 -0.80 0.09 0.00 -1.15 0.00 0.00 33.47 31.47 1whg s TRP 66 CO 0.15 0.38 0.14 0.08 0.02 0.00 0.00 176.95 177.71 1whg s VAL 67 N -2.95 -0.13 0.15 4.03 1.01 0.81 -2.03 120.40 121.30 1whg s VAL 67 Ca 0.23 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1whg s VAL 67 Cb -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1whg s VAL 67 CO 0.07 -0.51 1.52 -0.83 0.00 0.00 0.00 175.10 175.35 1whg s GLY 68 N 2.15 1.68 -0.10 4.51 0.00 0.37 -3.25 107.32 112.69 1whg s GLY 68 Ca 0.06 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1whg s GLY 68 CO -0.25 2.55 -0.08 0.14 0.00 0.00 0.00 173.10 175.46 1whg s VAL 69 N 1.13 1.03 -0.30 1.40 1.01 -0.82 -1.50 120.40 122.34 1whg s VAL 69 Ca 0.68 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1whg s VAL 69 Cb -0.42 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1whg s VAL 69 CO 0.31 0.36 0.15 -0.60 0.00 0.00 0.00 175.10 175.32 1whg s ARG 70 N 1.47 3.53 0.84 2.72 3.52 -0.13 -1.62 118.95 129.29 1whg s ARG 70 Ca 0.00 -0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 1whg s ARG 70 Cb -0.13 -3.56 0.11 0.00 -1.56 0.00 0.00 34.95 29.81 1whg s ARG 70 CO -0.06 -0.33 1.20 0.71 -0.81 0.00 0.00 175.30 176.02 1whg s TYR 71 N 1.65 2.51 -0.40 5.12 2.02 -0.97 -0.92 117.35 126.36 1whg s TYR 71 Ca 0.06 0.57 0.04 0.00 -0.37 0.00 0.00 57.07 57.36 1whg s TYR 71 Cb -0.16 -3.64 0.61 0.00 -0.40 0.00 0.00 41.96 38.37 1whg s TYR 71 CO 0.07 -2.00 1.83 -3.47 -1.57 0.00 0.00 175.55 170.41 1whg n ASP 72 N -3.40 3.75 -3.66 2.29 2.03 -1.25 -4.93 116.55 111.38 1whg n ASP 72 Ca 0.10 -3.44 -0.04 0.00 0.52 0.00 0.00 54.79 51.94 1whg n ASP 72 Cb 0.60 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 1whg n ASP 72 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1whg s GLU 73 N -2.98 0.91 -0.75 -0.67 2.02 -1.26 -5.06 118.70 110.91 1whg s GLU 73 Ca 0.52 -0.46 -0.25 0.00 0.02 0.00 0.00 54.97 54.80 1whg s GLU 73 Cb 0.43 0.34 -0.20 0.00 0.10 0.00 0.00 34.13 34.80 1whg s GLU 73 CO 0.10 -0.41 1.88 -0.35 0.02 0.00 0.00 175.26 176.50 1whg n PRO 74 N -0.39 1.01 -1.31 0.39 -0.04 -1.26 -4.40 135.00 129.00 1whg n PRO 74 Ca -0.07 -1.81 0.03 0.00 -0.04 0.00 0.00 63.50 61.62 1whg n PRO 74 Cb 0.61 -3.18 0.08 0.00 -0.04 0.00 0.00 33.50 30.97 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 11.36 1.71 0.00 1.53 4.77 -1.20 -4.96 117.00 130.21 1whg n LEU 75 Ca 0.47 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1whg n LEU 75 Cb 0.43 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1whg n LEU 75 CO 0.92 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.47 1whg n GLY 76 N -0.13 2.01 2.01 -0.72 0.00 -1.15 -4.83 105.19 102.39 1whg n GLY 76 Ca 0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.18 1.61 4.76 -1.26 -4.68 118.16 114.40 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 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1whg n LYS 77 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1whg n ASN 78 N -2.76 2.63 0.01 4.39 0.23 -1.26 -4.14 115.26 114.35 1whg n ASN 78 Ca 0.00 -2.86 -0.09 0.00 -0.53 0.00 0.00 54.58 51.10 1whg n ASN 78 Cb 0.00 0.46 -0.14 0.00 -2.08 0.00 0.00 39.78 38.02 1whg n ASN 78 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1whg h ASP 79 N 1.12 0.05 0.00 0.53 2.03 -1.83 -3.03 116.42 115.28 1whg h ASP 79 Ca -0.33 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1whg h ASP 79 Cb 1.06 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1whg h ASP 79 CO 0.54 1.08 0.00 0.61 -1.03 0.00 0.00 179.24 180.44 1whg n GLY 80 N 1.53 3.63 3.72 7.15 0.00 -1.26 -4.11 105.19 115.85 1whg n GLY 80 Ca -0.13 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1whg n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 81 N 0.00 6.82 -0.05 1.61 0.01 -1.26 -4.42 113.70 116.41 1whg s SER 81 Ca 0.00 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1whg s SER 81 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1whg s SER 81 CO 0.00 -0.65 -0.03 -0.69 0.41 0.00 0.00 173.24 172.28 1whg s VAL 82 N 0.93 0.46 -1.84 3.43 1.01 -0.11 -4.79 120.40 119.48 1whg s VAL 82 Ca 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1whg s VAL 82 Cb -0.37 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1whg s VAL 82 CO 0.32 0.22 0.00 0.59 0.00 0.00 0.00 175.10 176.23 1whg n ASN 83 N 4.27 -5.88 0.00 3.32 5.03 -1.26 -1.46 115.26 119.28 1whg n ASN 83 Ca -0.22 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.28 1whg n ASN 83 Cb 0.51 -4.93 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 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 2.88 3.77 7.41 0.00 -1.26 -5.04 105.19 112.01 1whg n GLY 84 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.00 2.22 0.09 1.61 -0.14 -0.54 -5.04 119.74 117.94 1whg s LYS 85 Ca 0.00 1.04 0.04 0.00 -1.36 0.00 0.00 55.97 55.69 1whg s LYS 85 Cb 0.00 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.22 1whg s LYS 85 CO 0.00 -1.64 -0.11 0.50 -0.76 0.00 0.00 175.35 173.34 1whg s ARG 86 N -4.95 0.83 0.14 1.68 3.52 -1.26 -0.94 118.95 117.97 1whg s ARG 86 Ca 0.61 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1whg s ARG 86 Cb -0.17 -0.61 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 1whg s ARG 86 CO 0.56 0.11 0.00 0.66 -0.81 0.00 0.00 175.30 175.82 1whg n TYR 87 N 0.81 -0.90 -4.70 5.12 4.02 -1.26 -5.00 117.16 115.25 1whg n TYR 87 Ca -0.18 0.16 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1whg n TYR 87 Cb 0.57 0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 40.08 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 -1.72 1.83 -0.45 -0.72 -0.12 -1.26 -4.83 117.98 110.70 1whg s PHE 88 Ca 0.00 -1.06 0.03 0.00 -0.05 0.00 0.00 56.93 55.85 1whg s PHE 88 Cb 0.00 -1.48 0.12 0.00 -0.63 0.00 0.00 43.02 41.03 1whg s PHE 88 CO 0.00 0.08 0.19 -1.21 -0.05 0.00 0.00 175.22 174.22 1whg s GLU 89 N -3.83 1.83 0.02 1.99 8.01 -1.26 -4.76 118.70 120.69 1whg s GLU 89 Ca 0.10 -2.28 -0.21 0.00 0.01 0.00 0.00 54.97 52.58 1whg s GLU 89 Cb 0.02 -3.32 0.05 0.00 -4.31 0.00 0.00 34.13 26.56 1whg s GLU 89 CO 0.06 -1.05 0.48 0.00 0.01 0.00 0.00 175.26 174.76 1whg s GLN 91 N -2.04 -2.20 0.53 0.00 0.74 -1.26 -4.58 119.66 110.85 1whg s GLN 91 Ca -0.08 0.15 -0.14 0.00 0.05 0.00 0.00 55.36 55.35 1whg s GLN 91 Cb -0.01 -1.46 -0.06 0.00 1.10 0.00 0.00 33.01 32.57 1whg s GLN 91 CO 0.01 -4.40 0.96 0.00 -0.55 0.00 0.00 175.29 171.31 1whg s ALA 92 N -2.52 3.12 -1.24 1.58 0.00 -1.26 -4.06 121.76 117.38 1whg s ALA 92 Ca 0.69 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 1whg s ALA 92 Cb -0.13 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1whg s ALA 92 CO 0.58 -0.34 1.07 1.63 0.00 0.00 0.00 175.76 178.70 1whg n LYS 93 N -1.91 -7.17 0.00 0.00 5.02 -1.15 -4.83 118.16 108.12 1whg n LYS 93 Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1whg n LYS 93 Cb 0.54 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -4.60 -0.70 -3.63 2.13 4.01 -1.26 -2.91 117.16 110.20 1whg n TYR 94 Ca -0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.27 1whg n TYR 94 Cb 0.59 0.48 -0.11 0.00 -0.31 0.00 0.00 39.34 39.98 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 -4.05 1.92 0.44 2.72 0.00 -1.26 -2.30 107.32 104.79 1whg s GLY 95 Ca 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.94 1whg s GLY 95 CO 0.00 0.85 0.65 0.00 0.00 0.00 0.00 173.10 174.60 1whg s ALA 96 N 1.50 3.80 -0.25 3.20 0.00 -0.64 -4.23 121.76 125.15 1whg s ALA 96 Ca 0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1whg s ALA 96 Cb -0.20 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.84 1whg s ALA 96 CO 0.05 -0.34 -0.03 -0.06 0.00 0.00 0.00 175.76 175.38 1whg s PHE 97 N -2.51 3.06 0.43 0.00 0.08 -1.26 -1.95 117.98 115.83 1whg s PHE 97 Ca 0.48 -1.34 0.04 0.00 0.12 0.00 0.00 56.93 56.22 1whg s PHE 97 Cb -0.10 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1whg s PHE 97 CO 0.37 -0.67 0.13 0.14 -0.10 0.00 0.00 175.22 175.09 1whg s VAL 98 N 1.38 0.55 0.14 -0.44 -7.23 -1.20 -4.97 120.40 108.63 1whg s VAL 98 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1whg s VAL 98 Cb -0.16 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1whg s VAL 98 CO -0.03 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.31 1whg s LYS 99 N -3.68 2.80 0.20 4.82 -0.14 -1.26 -0.13 119.74 122.35 1whg s LYS 99 Ca 0.20 -0.86 -0.18 0.00 -1.36 0.00 0.00 55.97 53.77 1whg s LYS 99 Cb 0.01 -2.62 0.17 0.00 -1.68 0.00 0.00 37.83 33.71 1whg s LYS 99 CO 0.14 0.50 1.60 -1.35 -0.76 0.00 0.00 175.35 175.48 1whg h PRO 100 N 2.73 -0.11 -0.15 -1.68 0.11 -1.89 1.59 132.00 132.60 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 1.19 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1whg h PRO 100 CO 0.63 -0.07 0.23 0.77 -0.21 0.00 0.00 178.00 179.34 1whg h SER 101 N -0.12 0.00 0.59 -2.05 0.02 -1.93 0.82 113.55 110.88 1whg h SER 101 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1whg h SER 101 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1whg h SER 101 CO -0.68 0.00 -0.74 0.00 -1.14 0.00 0.00 176.83 174.27 1whg n ALA 102 N -2.22 3.32 -2.80 3.77 0.00 0.51 -4.87 120.51 118.22 1whg n ALA 102 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 1whg n ALA 102 Cb 0.34 -1.08 -0.08 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 -3.13 4.98 -0.28 0.00 1.01 0.28 -0.42 120.40 122.86 1whg s VAL 103 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1whg s VAL 103 Cb 0.15 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.44 1whg s VAL 103 CO 0.75 0.60 -0.07 -0.89 0.00 0.00 0.00 175.10 175.49 1whg s THR 104 N -0.82 2.11 0.09 3.92 2.01 0.14 -4.86 115.64 118.24 1whg s THR 104 Ca 0.13 -1.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.08 1whg s THR 104 Cb -0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1whg s THR 104 CO 0.03 -0.17 0.99 -0.69 -0.69 0.00 0.00 174.62 174.09 1whg s VAL 105 N 1.09 4.51 -0.52 3.82 1.01 -1.26 0.11 120.40 129.16 1whg s VAL 105 Ca -0.04 2.00 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1whg s VAL 105 Cb -0.20 -4.28 0.41 0.00 0.00 0.00 0.00 36.38 32.31 1whg s VAL 105 CO -0.06 0.27 1.35 0.61 0.00 0.00 0.00 175.10 177.27 1whg n GLY 106 N 2.43 5.94 0.64 4.51 0.00 -1.23 -4.76 105.19 112.72 1whg n GLY 106 Ca 0.04 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1whg n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whg n ASP 107 N -0.53 -1.23 -4.88 1.61 8.00 -1.26 -5.02 116.55 113.25 1whg n ASP 107 Ca 0.44 0.60 -0.23 0.00 0.71 0.00 0.00 54.79 56.31 1whg n ASP 107 Cb 0.60 1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 43.15 1whg n ASP 107 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1whg s SER 108 N -1.95 4.84 0.00 -2.24 0.15 -1.26 -4.99 113.70 108.24 1whg s SER 108 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1whg s SER 108 Cb 0.00 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1whg s SER 108 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1whg n GLY 109 N -1.63 0.76 3.64 9.45 0.00 -1.24 -4.75 105.19 111.42 1whg n GLY 109 Ca 0.02 -0.66 -0.48 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 1.74 -4.45 1.61 -0.02 -1.26 -4.99 135.00 127.64 1whg n PRO 110 Ca 0.00 0.63 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 1whg n PRO 110 Cb 0.00 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.04 1whg n PRO 110 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1whg s SER 111 N 0.77 2.30 0.44 2.55 0.01 -1.26 -5.05 113.70 113.46 1whg s SER 111 Ca 0.81 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1whg s SER 111 Cb -0.79 0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1whg s SER 111 CO 0.42 -0.79 0.00 -0.24 0.41 0.00 0.00 173.24 173.04 1whg n SER 112 N -0.94 -8.54 0.00 2.44 2.88 -1.26 -5.32 113.62 102.88 1whg n SER 112 Ca -0.03 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1whg n SER 112 Cb 0.66 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.59 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42