#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 5.03 -0.18 1.61 0.01 -1.26 -4.89 113.70 114.02 1whg s SER 2 Ca 0.00 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 55.88 1whg s SER 2 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1whg s SER 2 CO 0.00 -3.02 -0.20 -0.55 0.41 0.00 0.00 173.24 169.88 1whg s SER 3 N 6.94 3.14 -0.11 2.44 0.15 -1.26 -4.98 113.70 120.01 1whg s SER 3 Ca 0.69 -0.64 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 1whg s SER 3 Cb -0.02 -1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 1whg s SER 3 CO 0.10 0.00 -0.12 0.61 1.20 0.00 0.00 173.24 175.03 1whg n GLY 4 N 4.59 -0.17 2.96 9.45 0.00 -1.26 -5.00 105.19 115.76 1whg n GLY 4 Ca -0.21 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.48 2.13 0.43 1.61 0.01 -1.26 -5.14 113.70 106.00 1whg s SER 5 Ca -0.15 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 56.84 1whg s SER 5 Cb 0.05 -0.89 0.07 0.00 0.21 0.00 0.00 66.02 65.45 1whg s SER 5 CO 0.23 -0.06 0.56 -1.54 0.41 0.00 0.00 173.24 172.84 1whg n SER 6 N 4.54 1.71 0.00 2.44 3.41 -1.26 -5.07 113.62 119.39 1whg n SER 6 Ca -0.17 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1whg n SER 6 Cb 0.51 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1whg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whg n GLY 7 N -0.29 1.41 3.60 5.00 0.00 -1.26 -5.07 105.19 108.58 1whg n GLY 7 Ca 0.10 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 6.37 0.18 1.61 3.84 -1.26 -4.87 114.94 120.81 1whg s ASN 8 Ca 0.00 0.76 0.06 0.00 0.21 0.00 0.00 52.86 53.89 1whg s ASN 8 Cb 0.00 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1whg s ASN 8 CO 0.00 -1.42 1.41 -0.08 -2.79 0.00 0.00 177.10 174.22 1whg h GLU 9 N 10.52 0.07 -0.68 0.43 4.57 -2.00 -3.21 114.58 124.28 1whg h GLU 9 Ca -0.27 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1whg h GLU 9 Cb 1.10 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1whg h GLU 9 CO 1.09 0.88 0.45 0.93 -1.18 0.00 0.00 179.01 181.18 1whg h GLU 10 N 0.04 0.87 -0.98 1.92 4.39 -2.03 -1.34 114.58 117.45 1whg h GLU 10 Ca -0.02 -0.05 -0.46 0.00 0.34 0.00 0.00 59.36 59.16 1whg h GLU 10 Cb 1.49 -0.20 -0.28 0.00 -0.10 0.00 0.00 28.75 29.67 1whg h GLU 10 CO 0.12 0.57 0.59 1.28 -1.16 0.00 0.00 179.01 180.41 1whg n LEU 11 N -4.44 6.46 -0.05 1.33 4.32 -1.21 -4.14 117.00 119.27 1whg n LEU 11 Ca 0.07 -3.44 -0.09 0.00 -0.02 0.00 0.00 56.01 52.53 1whg n LEU 11 Cb 0.06 -0.81 -0.15 0.00 -1.62 0.00 0.00 43.42 40.90 1whg n LEU 11 CO 0.36 0.99 -0.73 -1.14 -1.22 0.00 0.00 177.39 175.65 1whg n ARG 12 N -0.96 0.65 -0.65 3.23 0.63 -0.50 -4.42 116.66 114.63 1whg n ARG 12 Ca 0.55 0.20 0.05 0.00 -0.92 0.00 0.00 57.85 57.73 1whg n ARG 12 Cb 1.58 -1.71 0.08 0.00 0.45 0.00 0.00 32.46 32.86 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 -2.63 2.46 -0.06 5.13 0.00 -1.26 -4.75 120.51 119.40 1whg n ALA 13 Ca -0.22 -2.16 -0.06 0.00 0.00 0.00 0.00 53.44 50.99 1whg n ALA 13 Cb 1.08 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1whg n ALA 13 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1whg n GLN 14 N -0.45 2.05 -1.08 0.00 -0.06 -1.26 -4.52 117.38 112.07 1whg n GLN 14 Ca 0.09 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.91 1whg n GLN 14 Cb 0.79 -1.28 0.19 0.00 -4.06 0.00 0.00 30.24 25.89 1whg n GLN 14 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1whg n GLN 15 N -2.45 2.50 -0.02 3.69 6.02 -1.26 -1.99 117.38 123.87 1whg n GLN 15 Ca -0.18 -2.77 -0.02 0.00 -0.01 0.00 0.00 57.00 54.02 1whg n GLN 15 Cb 0.85 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.78 0.14 -0.02 -1.09 1.02 -1.26 -4.75 120.64 113.89 1whg n GLU 16 Ca 0.50 0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 57.72 1whg n GLU 16 Cb 1.51 -0.79 -0.03 0.00 -0.02 0.00 0.00 31.44 32.11 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 -2.95 1.89 -0.22 0.62 0.00 -1.26 -4.37 120.51 114.22 1whg n ALA 17 Ca -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1whg n ALA 17 Cb 0.13 0.32 0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 0.84 -0.86 0.00 5.08 -1.88 -2.20 114.58 115.55 1whg h GLU 18 Ca -0.12 -0.08 -0.29 0.00 -1.00 0.00 0.00 59.36 57.88 1whg h GLU 18 Cb 1.20 -0.18 -0.17 0.00 0.50 0.00 0.00 28.75 30.10 1whg h GLU 18 CO -0.01 0.60 0.37 0.00 -1.00 0.00 0.00 179.01 178.97 1whg n ALA 19 N -2.30 4.69 -0.00 3.43 0.00 -0.84 -4.06 120.51 121.43 1whg n ALA 19 Ca 0.04 -2.24 0.02 0.00 0.00 0.00 0.00 53.44 51.26 1whg n ALA 19 Cb 0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.40 2.12 0.04 0.00 0.00 -0.84 -3.86 120.51 117.57 1whg n ALA 20 Ca 0.42 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 1whg n ALA 20 Cb 1.38 -0.10 -0.14 0.00 0.00 0.00 0.00 19.45 20.58 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 0.19 0.00 0.00 7.50 -1.68 -3.30 115.11 117.82 1whg h GLN 21 Ca -0.01 -0.32 -0.32 0.00 0.50 0.00 0.00 58.65 58.50 1whg h GLN 21 Cb 0.26 0.12 -0.06 0.00 0.05 0.00 0.00 27.48 27.85 1whg h GLN 21 CO 0.00 1.00 -2.27 2.89 -1.50 0.00 0.00 178.83 178.95 1whg n ARG 22 N -3.37 0.68 -1.15 1.46 1.85 -1.26 -4.34 116.66 110.52 1whg n ARG 22 Ca -0.18 -0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.41 1whg n ARG 22 Cb 1.04 -1.55 0.10 0.00 -1.05 0.00 0.00 32.46 31.01 1whg n ARG 22 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1whg n LEU 23 N -2.72 6.93 -0.04 2.89 7.94 -1.25 -4.29 117.00 126.46 1whg n LEU 23 Ca -0.28 -3.74 -0.11 0.00 -1.11 0.00 0.00 56.01 50.76 1whg n LEU 23 Cb 1.08 -0.92 -0.14 0.00 0.53 0.00 0.00 43.42 43.97 1whg n LEU 23 CO 0.43 1.23 -0.74 -1.54 -1.11 0.00 0.00 177.39 175.66 1whg n SER 24 N -0.73 0.96 -0.10 1.96 3.41 -1.24 -3.50 113.62 114.37 1whg n SER 24 Ca 0.53 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1whg n SER 24 Cb 1.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.94 1whg n SER 24 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1whg h GLU 25 N 0.01 0.90 -0.28 4.33 4.11 -1.90 -2.82 114.58 118.94 1whg h GLU 25 Ca -0.38 -0.49 -0.15 0.00 0.07 0.00 0.00 59.36 58.42 1whg h GLU 25 Cb 2.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 1whg h GLU 25 CO 0.06 1.13 -0.44 0.93 0.07 0.00 0.00 179.01 180.77 1whg h GLU 26 N 0.73 0.70 -0.52 1.06 5.08 -1.85 -2.94 114.58 116.83 1whg h GLU 26 Ca 0.05 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1whg h GLU 26 Cb 1.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1whg h GLU 26 CO 0.10 1.00 0.22 -0.22 -1.00 0.00 0.00 179.01 179.10 1whg h LYS 27 N 0.56 0.74 -0.07 2.33 3.64 -1.58 0.18 116.57 122.36 1whg h LYS 27 Ca 0.04 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1whg h LYS 27 Cb 0.98 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1whg h LYS 27 CO 0.09 0.60 -0.48 0.00 -2.27 0.00 0.00 179.45 177.39 1whg h ALA 28 N 1.51 1.06 0.08 5.00 0.00 -1.38 0.74 119.26 126.27 1whg h ALA 28 Ca 0.18 -0.45 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 1whg h ALA 28 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1whg h ALA 28 CO -0.02 0.63 -1.30 1.96 0.00 0.00 0.00 179.25 180.53 1whg h GLN 29 N 0.15 0.16 0.01 0.00 4.20 -1.21 -3.27 115.11 115.15 1whg h GLN 29 Ca 0.01 -0.28 -0.20 0.00 0.06 0.00 0.00 58.65 58.24 1whg h GLN 29 Cb 0.90 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1whg h GLN 29 CO 0.07 1.07 -0.94 0.00 -0.67 0.00 0.00 178.83 178.36 1whg h ALA 30 N 0.71 0.46 -0.89 3.87 0.00 -0.59 -3.24 119.26 119.58 1whg h ALA 30 Ca -0.14 -0.83 -0.57 0.00 0.00 0.00 0.00 54.91 53.37 1whg h ALA 30 Cb 1.93 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 19.33 1whg h ALA 30 CO 0.16 1.11 0.74 0.43 0.00 0.00 0.00 179.25 181.69 1whg n SER 31 N -3.47 6.59 0.00 0.00 7.64 0.24 -4.27 113.62 120.34 1whg n SER 31 Ca -0.01 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1whg n SER 31 Cb 0.88 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.73 2.68 -2.46 -0.43 0.00 -1.23 -4.94 120.51 113.40 1whg n ALA 32 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 1whg n ALA 32 Cb 0.85 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 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 4.18 0.78 0.00 1.01 -1.22 -5.04 121.20 119.18 1whg s ILE 33 Ca 0.00 1.55 -0.03 0.00 0.00 0.00 0.00 60.65 62.17 1whg s ILE 33 Cb 0.00 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.63 1whg s ILE 33 CO 0.00 0.08 1.07 -0.44 0.00 0.00 0.00 174.94 175.65 1whg s SER 34 N 1.19 4.03 -0.14 3.58 0.01 -1.26 -4.98 113.70 116.14 1whg s SER 34 Ca 0.57 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.44 1whg s SER 34 Cb -0.27 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1whg s SER 34 CO 0.27 -2.09 0.08 -0.69 0.41 0.00 0.00 173.24 171.22 1whg s VAL 35 N -3.30 5.00 0.00 3.43 1.01 -1.26 -4.46 120.40 120.82 1whg s VAL 35 Ca 0.69 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1whg s VAL 35 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1whg s VAL 35 CO 0.46 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.73 1whg n GLY 36 N 2.59 1.36 3.16 4.51 0.00 0.99 -4.97 105.19 112.82 1whg n GLY 36 Ca -0.18 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.38 3.09 -0.34 1.61 0.01 -1.26 -4.88 113.70 109.54 1whg s SER 37 Ca 0.00 -0.60 -0.28 0.00 1.31 0.00 0.00 55.95 56.38 1whg s SER 37 Cb 0.00 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1whg s SER 37 CO 0.00 0.06 2.03 -0.13 0.41 0.00 0.00 173.24 175.61 1whg s ARG 38 N 0.91 3.03 0.53 12.44 1.81 -1.26 -2.89 118.95 133.51 1whg s ARG 38 Ca -0.05 1.54 0.01 0.00 -1.72 0.00 0.00 55.73 55.51 1whg s ARG 38 Cb -0.15 -4.33 0.00 0.00 -0.45 0.00 0.00 34.95 30.02 1whg s ARG 38 CO -0.04 -2.22 0.07 0.00 -0.68 0.00 0.00 175.30 172.42 1whg s GLU 40 N -3.96 2.84 -0.06 0.00 2.02 0.22 -1.76 118.70 118.01 1whg s GLU 40 Ca 0.07 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 1whg s GLU 40 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1whg s GLU 40 CO 0.04 0.09 0.13 0.08 0.02 0.00 0.00 175.26 175.62 1whg s VAL 41 N 0.57 5.21 -0.08 2.63 1.01 -1.06 -0.30 120.40 128.39 1whg s VAL 41 Ca -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1whg s VAL 41 Cb -0.17 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1whg s VAL 41 CO 0.04 0.47 -0.01 -0.60 0.00 0.00 0.00 175.10 174.99 1whg s ARG 42 N -1.46 0.81 0.13 2.72 3.52 -1.16 -3.14 118.95 120.36 1whg s ARG 42 Ca 0.21 0.02 -0.21 0.00 -0.13 0.00 0.00 55.73 55.61 1whg s ARG 42 Cb -0.12 -1.12 0.06 0.00 -1.56 0.00 0.00 34.95 32.21 1whg s ARG 42 CO 0.11 -0.30 0.54 0.00 -0.81 0.00 0.00 175.30 174.84 1whg s ALA 43 N 1.91 -1.39 -0.85 6.12 0.00 -1.26 -4.89 121.76 121.40 1whg s ALA 43 Ca 0.05 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 1whg s ALA 43 Cb -0.12 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.65 1whg s ALA 43 CO -0.06 -0.68 2.03 -0.35 0.00 0.00 0.00 175.76 176.70 1whg n PRO 44 N -0.17 1.88 0.03 0.00 -0.04 -1.26 -3.90 135.00 131.53 1whg n PRO 44 Ca -0.17 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1whg n PRO 44 Cb 0.64 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1whg n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1whg n ASP 45 N 5.05 0.31 0.08 3.54 8.00 -1.26 -5.08 116.55 127.20 1whg n ASP 45 Ca 0.44 0.09 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1whg n ASP 45 Cb 0.20 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1whg n HIS 46 N -3.12 -2.33 -3.83 1.24 -0.00 -1.25 -5.18 115.22 100.75 1whg n HIS 46 Ca 0.00 0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1whg n HIS 46 Cb 0.23 1.30 0.00 0.00 -0.12 0.00 0.00 29.99 31.41 1whg n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1whg n SER 47 N -2.88 -0.05 -4.67 0.26 2.88 -1.26 -5.08 113.62 102.80 1whg n SER 47 Ca 0.00 -1.01 -0.42 0.00 -1.33 0.00 0.00 58.87 56.10 1whg n SER 47 Cb 0.00 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1whg s LEU 48 N 0.00 4.28 -0.02 2.46 1.43 -1.26 -4.68 118.68 120.88 1whg s LEU 48 Ca 0.01 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.18 1whg s LEU 48 Cb -0.00 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1whg s LEU 48 CO -0.00 -0.76 -0.26 -0.13 0.23 0.00 0.00 176.35 175.43 1whg s ARG 49 N 3.05 2.15 -0.34 1.70 0.52 -1.19 -4.97 118.95 119.87 1whg s ARG 49 Ca 0.63 -0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 54.67 1whg s ARG 49 Cb -0.28 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1whg s ARG 49 CO 0.23 0.55 0.85 1.03 0.02 0.00 0.00 175.30 177.97 1whg s ARG 50 N -0.57 3.87 0.18 3.54 1.81 -1.26 -2.55 118.95 123.96 1whg s ARG 50 Ca 0.09 0.53 0.02 0.00 -1.72 0.00 0.00 55.73 54.65 1whg s ARG 50 Cb -0.10 -3.78 -0.01 0.00 -0.45 0.00 0.00 34.95 30.61 1whg s ARG 50 CO -0.01 -0.83 0.07 0.41 -0.68 0.00 0.00 175.30 174.27 1whg n GLY 51 N 4.33 3.72 2.99 -3.53 0.00 -0.72 -4.03 105.19 107.95 1whg n GLY 51 Ca 0.05 -2.00 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.23 0.69 0.16 2.61 2.01 -1.09 -0.83 115.64 116.97 1whg s THR 52 Ca 0.09 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.46 1whg s THR 52 Cb 0.00 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 1whg s THR 52 CO 0.07 0.22 1.49 -0.69 -0.69 0.00 0.00 174.62 175.01 1whg s VAL 53 N 0.12 2.84 -0.01 3.82 1.01 -1.14 -2.88 120.40 124.16 1whg s VAL 53 Ca -0.02 0.62 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1whg s VAL 53 Cb -0.07 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1whg s VAL 53 CO 0.00 0.06 -0.01 0.23 0.00 0.00 0.00 175.10 175.38 1whg n MET 54 N 3.70 0.02 -3.86 2.72 2.81 0.35 -0.01 117.12 122.85 1whg n MET 54 Ca 0.12 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 1whg n MET 54 Cb 0.40 -0.94 -0.14 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.01 -0.27 2.03 6.14 -1.23 -4.90 117.35 117.09 1whg s TYR 55 Ca -0.01 0.03 -0.02 0.00 0.64 0.00 0.00 57.07 57.71 1whg s TYR 55 Cb 0.00 -0.01 0.11 0.00 0.42 0.00 0.00 41.96 42.48 1whg s TYR 55 CO 0.02 -0.01 0.22 0.08 0.64 0.00 0.00 175.55 176.50 1whg s VAL 56 N 0.08 -0.28 0.00 3.14 1.01 -1.26 0.54 120.40 123.63 1whg s VAL 56 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1whg s VAL 56 Cb -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1whg s VAL 56 CO -0.00 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.22 1whg n GLY 57 N 5.29 1.37 3.71 4.51 0.00 -0.81 -4.97 105.19 114.30 1whg n GLY 57 Ca -0.04 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 4.22 0.00 0.99 1.43 -1.26 0.17 118.68 124.23 1whg s LEU 58 Ca 0.00 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1whg s LEU 58 Cb 0.00 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1whg s LEU 58 CO 0.00 0.06 0.39 0.35 0.23 0.00 0.00 176.35 177.38 1whg n THR 59 N 3.76 0.00 -0.14 5.49 -2.24 -1.26 -4.98 114.28 114.92 1whg n THR 59 Ca -0.11 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1whg n THR 59 Cb 0.52 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.18 1.03 -0.04 3.42 9.92 -1.26 -4.71 116.55 121.72 1whg n ASP 60 Ca 0.05 -1.17 -0.05 0.00 -0.53 0.00 0.00 54.79 53.10 1whg n ASP 60 Cb 0.18 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.60 1whg n ASP 60 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1whg n PHE 61 N -0.08 0.00 -3.99 1.24 1.16 -1.26 -5.01 117.46 109.52 1whg n PHE 61 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.42 1whg n PHE 61 Cb 0.08 -0.44 -0.15 0.00 -1.61 0.00 0.00 39.48 37.36 1whg n PHE 61 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1whg s LYS 62 N -2.22 0.29 0.12 3.97 2.36 -1.26 -5.16 119.74 117.84 1whg s LYS 62 Ca -0.05 -0.02 -0.02 0.00 -2.55 0.00 0.00 55.97 53.33 1whg s LYS 62 Cb 0.03 -0.37 0.03 0.00 -1.05 0.00 0.00 37.83 36.46 1whg s LYS 62 CO 0.36 -0.04 0.06 -2.30 1.55 0.00 0.00 175.35 174.98 1whg n PRO 63 N 3.60 -1.12 -1.37 4.03 -0.02 -1.26 -4.28 135.00 134.58 1whg n PRO 63 Ca -0.20 -0.10 0.18 0.00 -2.02 0.00 0.00 63.50 61.36 1whg n PRO 63 Cb 0.54 -0.16 -0.05 0.00 -0.02 0.00 0.00 33.50 33.81 1whg n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whg n GLY 64 N -0.33 -1.95 3.92 -1.23 0.00 -1.26 -4.80 105.19 99.53 1whg n GLY 64 Ca 0.01 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.46 3.55 0.05 1.61 2.02 -1.26 -4.12 117.35 116.73 1whg s TYR 65 Ca 0.00 0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 57.37 1whg s TYR 65 Cb 0.00 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1whg s TYR 65 CO 0.00 -0.17 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.20 1whg s TRP 66 N -2.62 0.53 -0.09 2.71 0.52 0.13 -4.70 118.94 115.41 1whg s TRP 66 Ca 0.45 -1.04 -0.01 0.00 0.02 0.00 0.00 56.10 55.52 1whg s TRP 66 Cb -0.10 -0.39 0.03 0.00 -1.15 0.00 0.00 33.47 31.86 1whg s TRP 66 CO 0.42 -0.36 -0.04 0.08 0.02 0.00 0.00 176.95 177.08 1whg s VAL 67 N -3.80 0.68 -0.06 4.03 1.01 0.17 -1.92 120.40 120.50 1whg s VAL 67 Ca 0.06 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1whg s VAL 67 Cb 0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1whg s VAL 67 CO -0.09 0.31 0.64 -0.83 0.00 0.00 0.00 175.10 175.13 1whg s GLY 68 N 1.80 2.58 -0.02 4.51 0.00 0.19 -2.24 107.32 114.14 1whg s GLY 68 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1whg s GLY 68 CO -0.06 1.03 0.02 0.14 0.00 0.00 0.00 173.10 174.23 1whg s VAL 69 N 0.59 -0.02 -0.10 1.40 1.01 -1.08 -0.50 120.40 121.70 1whg s VAL 69 Ca 0.34 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1whg s VAL 69 Cb -0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1whg s VAL 69 CO 0.17 0.08 0.08 -0.60 0.00 0.00 0.00 175.10 174.82 1whg s ARG 70 N 0.83 3.24 0.17 2.72 3.52 -1.14 -1.63 118.95 126.66 1whg s ARG 70 Ca -0.07 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1whg s ARG 70 Cb -0.10 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1whg s ARG 70 CO -0.02 0.74 0.30 0.71 -0.81 0.00 0.00 175.30 176.22 1whg s TYR 71 N -0.98 3.47 0.30 5.12 2.02 -0.66 -2.67 117.35 123.95 1whg s TYR 71 Ca 0.15 0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1whg s TYR 71 Cb -0.12 -1.64 0.47 0.00 -0.40 0.00 0.00 41.96 40.28 1whg s TYR 71 CO 0.04 0.50 1.76 0.22 -1.57 0.00 0.00 175.55 176.49 1whg h ASP 72 N 1.90 0.44 -3.01 2.29 1.82 -1.92 -3.44 116.42 114.51 1whg h ASP 72 Ca -0.49 -0.14 -0.61 0.00 -0.39 0.00 0.00 57.03 55.40 1whg h ASP 72 Cb 1.20 -0.12 -0.10 0.00 0.68 0.00 0.00 39.33 40.99 1whg h ASP 72 CO 0.67 0.67 -0.63 -1.61 -1.61 0.00 0.00 179.24 176.72 1whg s GLU 73 N -4.56 2.60 -0.84 0.28 2.02 -1.26 -5.04 118.70 111.90 1whg s GLU 73 Ca -0.07 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 53.74 1whg s GLU 73 Cb 0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1whg s GLU 73 CO 0.78 0.50 1.91 -1.25 0.02 0.00 0.00 175.26 177.22 1whg s PRO 74 N -2.74 2.60 -0.04 0.39 0.04 -1.26 -4.60 135.00 129.40 1whg s PRO 74 Ca 0.28 -0.12 0.16 0.00 0.04 0.00 0.00 61.00 61.37 1whg s PRO 74 Cb -0.10 -4.92 0.29 0.00 0.04 0.00 0.00 34.50 29.81 1whg s PRO 74 CO 0.20 -3.20 1.13 1.28 0.04 0.00 0.00 177.00 176.45 1whg n LEU 75 N 13.53 0.25 -4.93 -3.56 4.77 -1.23 -5.00 117.00 120.83 1whg n LEU 75 Ca 0.35 -2.14 -0.22 0.00 -0.03 0.00 0.00 56.01 53.97 1whg n LEU 75 Cb 0.48 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1whg n LEU 75 CO 0.63 0.94 0.12 -0.83 -1.33 0.00 0.00 177.39 176.91 1whg s GLY 76 N -1.76 2.11 -0.09 -0.72 0.00 -1.23 -4.95 107.32 100.68 1whg s GLY 76 Ca 0.21 -1.71 0.13 0.00 0.00 0.00 0.00 44.72 43.35 1whg s GLY 76 CO -0.10 -1.78 1.12 0.28 0.00 0.00 0.00 173.10 172.62 1whg n LYS 77 N -1.83 0.77 -3.68 2.90 4.76 -1.26 -4.56 118.16 115.27 1whg n LYS 77 Ca 0.05 -2.14 -0.09 0.00 -2.87 0.00 0.00 58.31 53.26 1whg n LYS 77 Cb 0.62 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.70 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 -2.25 -0.63 0.07 4.39 -0.87 -1.26 -4.97 114.94 109.42 1whg s ASN 78 Ca 0.23 1.10 0.05 0.00 -1.57 0.00 0.00 52.86 52.68 1whg s ASN 78 Cb 0.22 1.04 -0.23 0.00 -0.02 0.00 0.00 41.25 42.26 1whg s ASN 78 CO -0.02 -0.21 1.08 -2.24 -2.57 0.00 0.00 177.10 173.14 1whg h ASP 79 N 7.21 0.10 0.00 -1.22 2.03 -1.81 -2.79 116.42 119.94 1whg h ASP 79 Ca -0.32 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1whg h ASP 79 Cb 1.19 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1whg h ASP 79 CO 0.24 1.10 0.00 0.61 -1.03 0.00 0.00 179.24 180.16 1whg n GLY 80 N 1.45 2.50 3.65 7.15 0.00 -1.26 -4.54 105.19 114.14 1whg n GLY 80 Ca -0.07 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 6.94 -0.11 1.61 1.04 -1.26 -4.08 113.70 117.85 1whg s SER 81 Ca 0.00 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1whg s SER 81 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1whg s SER 81 CO 0.00 -0.82 -0.09 -0.69 0.98 0.00 0.00 173.24 172.62 1whg s VAL 82 N 3.61 1.07 -1.45 5.02 1.01 -0.29 -4.76 120.40 124.61 1whg s VAL 82 Ca 0.49 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1whg s VAL 82 Cb -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1whg s VAL 82 CO 0.14 0.37 0.79 0.59 0.00 0.00 0.00 175.10 176.98 1whg n ASN 83 N 4.70 -6.11 -0.94 3.32 5.03 -1.26 -1.80 115.26 118.21 1whg n ASN 83 Ca -0.15 -0.36 -0.09 0.00 0.87 0.00 0.00 54.58 54.85 1whg n ASN 83 Cb 0.50 -4.86 -0.01 0.00 -1.02 0.00 0.00 39.78 34.40 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 -1.67 0.16 2.87 7.41 0.00 -1.26 -5.02 105.19 107.68 1whg n GLY 84 Ca -0.07 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.19 1.32 0.27 1.61 2.36 -0.75 -5.13 119.74 115.24 1whg s LYS 85 Ca 0.00 -0.47 -0.12 0.00 -2.55 0.00 0.00 55.97 52.83 1whg s LYS 85 Cb 0.00 -1.94 -0.08 0.00 -1.05 0.00 0.00 37.83 34.76 1whg s LYS 85 CO 0.00 -0.44 0.63 0.50 1.55 0.00 0.00 175.35 177.60 1whg s ARG 86 N 1.67 3.88 0.00 4.03 3.52 -1.26 -1.13 118.95 129.66 1whg s ARG 86 Ca 0.01 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1whg s ARG 86 Cb -0.15 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 1whg s ARG 86 CO -0.08 0.24 0.00 0.66 -0.81 0.00 0.00 175.30 175.31 1whg n TYR 87 N -0.27 0.00 -4.21 5.12 4.02 -1.26 -4.99 117.16 115.57 1whg n TYR 87 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.79 1whg n TYR 87 Cb 0.53 0.20 -0.10 0.00 -0.02 0.00 0.00 39.34 39.94 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 -1.89 1.14 -0.51 -0.72 -0.12 -1.26 -4.76 117.98 109.85 1whg s PHE 88 Ca 0.00 -1.27 -0.07 0.00 -0.05 0.00 0.00 56.93 55.54 1whg s PHE 88 Cb 0.00 -0.60 0.13 0.00 -0.63 0.00 0.00 43.02 41.92 1whg s PHE 88 CO 0.00 -0.51 0.36 -1.21 -0.05 0.00 0.00 175.22 173.81 1whg s GLU 89 N -4.08 2.45 0.37 1.99 2.02 -1.26 -4.80 118.70 115.39 1whg s GLU 89 Ca 0.33 -1.97 -0.05 0.00 0.02 0.00 0.00 54.97 53.29 1whg s GLU 89 Cb 0.07 -3.84 0.02 0.00 0.10 0.00 0.00 34.13 30.48 1whg s GLU 89 CO 0.08 -1.17 0.57 0.00 0.02 0.00 0.00 175.26 174.77 1whg s GLN 91 N -2.64 0.81 0.37 0.00 -0.44 -1.26 -4.91 119.66 111.59 1whg s GLN 91 Ca 0.26 -0.52 -0.18 0.00 -2.50 0.00 0.00 55.36 52.43 1whg s GLN 91 Cb -0.02 -1.92 -0.10 0.00 -1.64 0.00 0.00 33.01 29.33 1whg s GLN 91 CO 0.19 -2.26 0.83 0.00 0.50 0.00 0.00 175.29 174.56 1whg s ALA 92 N -3.77 3.20 -1.09 1.58 0.00 -1.26 -4.22 121.76 116.20 1whg s ALA 92 Ca 0.73 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1whg s ALA 92 Cb -0.04 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1whg s ALA 92 CO 0.52 0.23 0.92 1.63 0.00 0.00 0.00 175.76 179.07 1whg n LYS 93 N -0.51 -4.41 0.00 0.00 4.01 -1.26 -4.87 118.16 111.12 1whg n LYS 93 Ca 0.05 0.83 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 1whg n LYS 93 Cb 0.54 -5.70 0.00 0.00 -0.51 0.00 0.00 35.03 29.35 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 -3.61 -1.42 -3.13 2.13 4.01 -1.25 -3.47 117.16 110.42 1whg n TYR 94 Ca -0.18 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.11 1whg n TYR 94 Cb 0.64 0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 40.05 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 -2.54 2.46 0.99 2.72 0.00 -1.05 -1.65 107.32 108.24 1whg s GLY 95 Ca 0.00 -3.22 -0.15 0.00 0.00 0.00 0.00 44.72 41.35 1whg s GLY 95 CO 0.00 1.66 1.17 0.00 0.00 0.00 0.00 173.10 175.93 1whg s ALA 96 N 1.05 1.58 -0.21 3.20 0.00 -0.64 -4.13 121.76 122.60 1whg s ALA 96 Ca 0.29 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1whg s ALA 96 Cb -0.07 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1whg s ALA 96 CO -0.08 -2.64 -0.09 -0.06 0.00 0.00 0.00 175.76 172.89 1whg s PHE 97 N -3.34 2.39 0.40 0.00 0.08 -1.26 -2.64 117.98 113.61 1whg s PHE 97 Ca 0.68 -1.62 0.04 0.00 0.12 0.00 0.00 56.93 56.15 1whg s PHE 97 Cb -0.11 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 1whg s PHE 97 CO 0.54 -0.75 0.04 0.14 -0.10 0.00 0.00 175.22 175.09 1whg s VAL 98 N 1.40 1.40 0.10 -0.44 -7.23 -0.95 -4.97 120.40 109.71 1whg s VAL 98 Ca -0.02 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1whg s VAL 98 Cb -0.17 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1whg s VAL 98 CO -0.08 0.00 0.29 -0.54 -0.31 0.00 0.00 175.10 174.46 1whg s LYS 99 N -3.80 3.51 0.20 4.82 -0.14 -1.26 -0.66 119.74 122.42 1whg s LYS 99 Ca 0.28 -0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.42 1whg s LYS 99 Cb 0.07 -2.95 0.19 0.00 -1.68 0.00 0.00 37.83 33.46 1whg s LYS 99 CO 0.14 0.54 1.60 -1.35 -0.76 0.00 0.00 175.35 175.52 1whg h PRO 100 N 2.90 -0.09 -0.15 -1.68 0.11 -1.90 1.62 132.00 132.81 1whg h PRO 100 Ca -0.46 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1whg h PRO 100 Cb 1.16 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1whg h PRO 100 CO 0.74 -0.06 0.23 1.03 -0.21 0.00 0.00 178.00 179.73 1whg h SER 101 N -0.09 0.00 0.62 -2.05 0.87 -1.95 0.83 113.55 111.78 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1whg h SER 101 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1whg h SER 101 CO -0.68 0.00 -0.76 0.00 -0.53 0.00 0.00 176.83 174.86 1whg n ALA 102 N -2.22 3.24 -2.59 6.23 0.00 0.52 -4.81 120.51 120.89 1whg n ALA 102 Ca 0.01 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 1whg n ALA 102 Cb 0.33 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.15 5.16 -0.38 0.00 1.01 0.29 -2.99 120.40 120.34 1whg s VAL 103 Ca 0.06 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1whg s VAL 103 Cb 0.15 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1whg s VAL 103 CO 0.75 0.07 0.19 -0.89 0.00 0.00 0.00 175.10 175.21 1whg s THR 104 N 2.09 3.94 0.45 3.92 2.01 0.59 -4.89 115.64 123.75 1whg s THR 104 Ca 0.15 -1.36 -0.22 0.00 0.31 0.00 0.00 61.69 60.56 1whg s THR 104 Cb -0.16 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 1whg s THR 104 CO 0.11 -0.39 1.09 -0.69 -0.69 0.00 0.00 174.62 174.04 1whg s VAL 105 N 1.39 3.51 0.00 3.82 1.01 -1.26 0.70 120.40 129.57 1whg s VAL 105 Ca 0.02 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1whg s VAL 105 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1whg s VAL 105 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1whg n GLY 106 N 0.22 -0.03 3.85 4.51 0.00 -1.25 -4.85 105.19 107.63 1whg n GLY 106 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1whg n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whg s ASP 107 N -0.67 6.78 -0.24 1.61 -1.08 -1.26 -5.06 116.67 116.75 1whg s ASP 107 Ca 0.00 1.14 -0.17 0.00 -0.52 0.00 0.00 52.55 53.00 1whg s ASP 107 Cb 0.00 -2.31 -0.03 0.00 -1.46 0.00 0.00 42.92 39.11 1whg s ASP 107 CO 0.00 -0.06 0.46 -0.44 0.52 0.00 0.00 175.17 175.65 1whg s SER 108 N -2.08 6.41 -0.73 -0.34 0.01 -1.26 -4.79 113.70 110.92 1whg s SER 108 Ca 0.47 0.49 0.04 0.00 1.31 0.00 0.00 55.95 58.25 1whg s SER 108 Cb -0.13 -2.26 0.23 0.00 0.21 0.00 0.00 66.02 64.08 1whg s SER 108 CO 0.19 -0.21 0.77 0.61 0.41 0.00 0.00 173.24 175.02 1whg n GLY 109 N 4.30 4.61 0.57 3.44 0.00 -1.26 -5.08 105.19 111.77 1whg n GLY 109 Ca -0.06 -2.71 -0.05 0.00 0.00 0.00 0.00 46.02 43.20 1whg n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whg n PRO 110 N 1.30 -1.36 -2.27 1.61 -0.04 -1.26 -5.00 135.00 127.97 1whg n PRO 110 Ca 0.26 -0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1whg n PRO 110 Cb 0.38 -0.27 0.05 0.00 -0.04 0.00 0.00 33.50 33.63 1whg n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whg n SER 111 N -3.31 0.22 -3.26 3.54 7.64 -1.26 -5.04 113.62 112.16 1whg n SER 111 Ca 0.02 -2.07 -0.05 0.00 1.01 0.00 0.00 58.87 57.79 1whg n SER 111 Cb 0.10 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 1whg n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whg s SER 112 N -2.29 -0.29 0.00 6.43 0.15 -1.26 -5.36 113.70 111.08 1whg s SER 112 Ca 0.19 -0.10 0.28 0.00 0.70 0.00 0.00 55.95 57.02 1whg s SER 112 Cb 0.32 1.43 0.98 0.00 -1.71 0.00 0.00 66.02 67.04 1whg s SER 112 CO -0.08 -0.33 1.71 0.61 1.20 0.00 0.00 173.24 176.34