#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wif n SER 2 N 0.00 -0.50 -3.73 1.61 2.88 -1.26 -5.14 113.62 107.48 1wif n SER 2 Ca 0.00 0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.37 1wif n SER 2 Cb 0.00 0.76 0.27 0.00 -0.75 0.00 0.00 64.21 64.49 1wif n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wif s SER 3 N -2.99 -0.14 0.00 -3.46 0.01 -1.26 -5.04 113.70 100.83 1wif s SER 3 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1wif s SER 3 Cb 0.00 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1wif s SER 3 CO 0.00 -4.80 0.00 0.61 0.41 0.00 0.00 173.24 169.46 1wif n GLY 4 N 0.56 -1.92 0.80 3.44 0.00 -1.26 -5.06 105.19 101.76 1wif n GLY 4 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1wif n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wif n SER 5 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.17 113.62 116.44 1wif n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wif n SER 5 Cb 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1wif n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wif n SER 6 N -1.94 0.00 -3.36 6.43 7.64 -1.26 -5.17 113.62 115.96 1wif n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wif n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wif n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wif n GLY 7 N -0.30 -1.11 1.76 0.23 0.00 -1.26 -4.71 105.19 99.80 1wif n GLY 7 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1wif n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wif n SER 8 N 0.00 -2.07 -2.13 1.61 2.88 -1.26 -4.68 113.62 107.97 1wif n SER 8 Ca 0.00 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1wif n SER 8 Cb 0.00 -0.84 -0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wif n LYS 9 N -0.92 -4.33 0.00 -1.46 3.00 -1.26 -5.04 118.16 108.15 1wif n LYS 9 Ca -0.00 3.23 0.00 0.00 -0.00 0.00 0.00 58.31 61.53 1wif n LYS 9 Cb 0.51 -4.04 0.00 0.00 0.00 0.00 0.00 35.03 31.50 1wif n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1wif n ASN 10 N 1.52 0.00 0.00 3.14 2.85 -1.26 -5.13 115.26 116.38 1wif n ASN 10 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1wif n ASN 10 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1wif n ASN 10 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1wif n GLU 11 N 0.00 -2.68 -1.13 1.20 0.28 -1.26 -4.97 120.64 112.08 1wif n GLU 11 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 1wif n GLU 11 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wif n LYS 12 N -0.35 0.03 -1.49 3.44 5.02 -1.26 -4.43 118.16 119.12 1wif n LYS 12 Ca 0.00 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 1wif n LYS 12 Cb 0.00 -1.14 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 1wif n LYS 12 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wif n GLU 13 N 1.50 0.19 0.00 1.97 2.13 -1.26 -4.36 120.64 120.81 1wif n GLU 13 Ca 0.04 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.52 1wif n GLU 13 Cb 0.51 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1wif n GLN 14 N 6.63 0.00 -1.77 5.31 7.27 -1.26 -5.11 117.38 128.44 1wif n GLN 14 Ca 0.56 -0.34 -0.29 0.00 0.07 0.00 0.00 57.00 57.00 1wif n GLN 14 Cb 0.27 -0.45 0.15 0.00 2.41 0.00 0.00 30.24 32.62 1wif n GLN 14 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1wif s LEU 15 N 0.00 2.33 0.43 1.69 2.34 -1.26 -4.85 118.68 119.36 1wif s LEU 15 Ca 0.00 0.59 -0.15 0.00 0.06 0.00 0.00 54.13 54.63 1wif s LEU 15 Cb 0.00 -2.80 -0.08 0.00 -0.56 0.00 0.00 46.19 42.75 1wif s LEU 15 CO 0.00 -2.57 0.86 -0.44 -1.06 0.00 0.00 176.35 173.14 1wif s SER 16 N -4.55 6.66 0.45 1.48 0.01 -1.26 -4.99 113.70 111.51 1wif s SER 16 Ca 0.68 1.38 -0.22 0.00 1.31 0.00 0.00 55.95 59.10 1wif s SER 16 Cb -0.09 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 1wif s SER 16 CO 0.52 -0.42 1.07 -0.75 0.41 0.00 0.00 173.24 174.07 1wif s LYS 17 N -3.67 3.89 -1.01 12.44 2.47 -1.26 -4.99 119.74 127.62 1wif s LYS 17 Ca 0.56 1.50 -0.10 0.00 -1.56 0.00 0.00 55.97 56.36 1wif s LYS 17 Cb -0.10 -2.30 0.26 0.00 -1.46 0.00 0.00 37.83 34.23 1wif s LYS 17 CO 0.26 -0.37 0.98 0.00 0.16 0.00 0.00 175.35 176.38 1wif s ALA 18 N -1.78 4.50 0.12 3.13 0.00 -1.26 -4.98 121.76 121.49 1wif s ALA 18 Ca 0.64 -3.68 -0.25 0.00 0.00 0.00 0.00 51.96 48.66 1wif s ALA 18 Cb -0.21 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.48 1wif s ALA 18 CO 0.25 -2.22 0.87 0.15 0.00 0.00 0.00 175.76 174.81 1wif s LYS 19 N -0.82 1.16 0.01 0.00 -0.14 -1.26 -5.17 119.74 113.51 1wif s LYS 19 Ca 0.26 -0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 54.26 1wif s LYS 19 Cb -0.10 0.44 -0.04 0.00 -1.68 0.00 0.00 37.83 36.45 1wif s LYS 19 CO -0.08 -0.52 0.24 0.00 -0.76 0.00 0.00 175.35 174.22 1wif s ALA 20 N -3.36 3.89 -0.33 5.17 0.00 -1.26 -5.02 121.76 120.85 1wif s ALA 20 Ca 0.09 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1wif s ALA 20 Cb -0.02 -1.99 0.45 0.00 0.00 0.00 0.00 23.12 21.56 1wif s ALA 20 CO -0.02 0.69 1.16 0.45 0.00 0.00 0.00 175.76 178.04 1wif n SER 21 N 1.00 4.73 -4.88 0.00 2.88 -1.26 -5.06 113.62 111.04 1wif n SER 21 Ca -0.11 -3.68 -0.31 0.00 -1.33 0.00 0.00 58.87 53.45 1wif n SER 21 Cb 0.53 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 1wif n SER 21 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wif s VAL 22 N -4.83 4.90 0.00 2.46 1.01 -1.26 -4.95 120.40 117.73 1wif s VAL 22 Ca 0.49 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1wif s VAL 22 Cb 0.41 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1wif s VAL 22 CO -0.03 -0.25 0.00 -0.24 0.00 0.00 0.00 175.10 174.59 1wif n SER 23 N -0.62 0.00 -3.12 3.32 2.88 -1.26 -5.06 113.62 109.76 1wif n SER 23 Ca 0.01 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wif n SER 23 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wif n SER 24 N 0.00 -6.78 -3.49 -3.46 2.88 -1.26 -4.97 113.62 96.54 1wif n SER 24 Ca 0.00 0.55 -0.28 0.00 -1.33 0.00 0.00 58.87 57.81 1wif n SER 24 Cb 0.00 -2.16 -0.11 0.00 -0.75 0.00 0.00 64.21 61.19 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wif s LEU 25 N -1.12 1.65 -0.24 2.46 1.43 -1.26 -5.08 118.68 116.52 1wif s LEU 25 Ca 0.01 -2.79 0.01 0.00 -1.03 0.00 0.00 54.13 50.33 1wif s LEU 25 Cb -0.00 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.71 1wif s LEU 25 CO 0.13 -0.22 -0.05 0.20 0.23 0.00 0.00 176.35 176.64 1wif s ASN 26 N 0.31 3.93 0.23 2.29 0.01 -1.26 -4.98 114.94 115.47 1wif s ASN 26 Ca 0.26 -1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 50.88 1wif s ASN 26 Cb -0.09 -1.21 -0.09 0.00 0.41 0.00 0.00 41.25 40.27 1wif s ASN 26 CO -0.11 -0.24 0.92 -0.75 -1.51 0.00 0.00 177.10 175.42 1wif s LYS 27 N 1.36 4.83 -0.02 -0.60 2.20 -1.26 -4.95 119.74 121.30 1wif s LYS 27 Ca -0.05 1.45 -0.01 0.00 -0.36 0.00 0.00 55.97 57.00 1wif s LYS 27 Cb -0.19 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1wif s LYS 27 CO -0.06 0.52 0.10 0.08 -0.36 0.00 0.00 175.35 175.63 1wif s VAL 28 N -1.16 4.93 -0.09 4.02 1.01 -1.26 -3.09 120.40 124.75 1wif s VAL 28 Ca 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1wif s VAL 28 Cb -0.26 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1wif s VAL 28 CO 0.31 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 175.17 1wif s ILE 29 N -1.20 4.37 -0.24 2.22 -1.09 0.65 -4.98 121.20 120.94 1wif s ILE 29 Ca 0.23 -0.22 -0.08 0.00 -2.23 0.00 0.00 60.65 58.35 1wif s ILE 29 Cb -0.12 -2.85 0.10 0.00 -1.58 0.00 0.00 42.46 38.01 1wif s ILE 29 CO 0.14 0.60 0.51 0.00 -1.23 0.00 0.00 174.94 174.95 1wif s GLN 30 N -0.78 0.42 0.05 2.79 -2.07 -1.25 -0.30 119.66 118.52 1wif s GLN 30 Ca 0.12 1.19 -0.06 0.00 -1.82 0.00 0.00 55.36 54.79 1wif s GLN 30 Cb -0.12 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 1wif s GLN 30 CO 0.02 -0.23 0.11 -0.08 -1.32 0.00 0.00 175.29 173.79 1wif s THR 31 N 2.71 0.14 -0.38 3.63 -1.32 -1.16 -4.97 115.64 114.29 1wif s THR 31 Ca -0.03 -1.14 -0.15 0.00 -1.21 0.00 0.00 61.69 59.16 1wif s THR 31 Cb -0.12 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1wif s THR 31 CO -0.15 -0.63 0.31 -0.54 -2.21 0.00 0.00 174.62 171.40 1wif s LYS 32 N -2.89 3.27 0.20 7.08 3.01 -1.26 -2.26 119.74 126.89 1wif s LYS 32 Ca -0.03 -0.75 -0.09 0.00 -1.01 0.00 0.00 55.97 54.09 1wif s LYS 32 Cb 0.00 -3.89 -0.07 0.00 -1.01 0.00 0.00 37.83 32.87 1wif s LYS 32 CO -0.06 -0.62 0.51 -0.51 0.51 0.00 0.00 175.35 175.18 1wif s LEU 33 N 1.82 4.21 -0.67 3.17 1.43 -1.23 -4.94 118.68 122.46 1wif s LEU 33 Ca 0.08 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1wif s LEU 33 Cb -0.18 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 42.67 1wif s LEU 33 CO 0.11 -0.02 0.59 -0.89 0.23 0.00 0.00 176.35 176.37 1wif s THR 34 N -1.74 5.06 0.05 5.49 2.01 -1.26 -4.05 115.64 121.20 1wif s THR 34 Ca 0.45 -2.16 -0.37 0.00 0.31 0.00 0.00 61.69 59.92 1wif s THR 34 Cb -0.12 -4.20 -0.19 0.00 0.01 0.00 0.00 72.50 68.00 1wif s THR 34 CO 0.22 -0.93 0.94 0.52 -0.69 0.00 0.00 174.62 174.68 1wif n VAL 35 N 4.41 0.50 -3.12 3.82 0.31 -1.25 -4.60 118.33 118.39 1wif n VAL 35 Ca 0.02 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 1wif n VAL 35 Cb 0.43 -0.03 0.03 0.00 -0.91 0.00 0.00 33.84 33.36 1wif n VAL 35 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wif s GLY 36 N -0.23 1.89 0.33 2.92 0.00 -1.26 -2.69 107.32 108.28 1wif s GLY 36 Ca 0.84 -1.89 0.12 0.00 0.00 0.00 0.00 44.72 43.80 1wif s GLY 36 CO 0.56 -1.63 1.68 3.43 0.00 0.00 0.00 173.10 177.15 1wif h ASN 37 N 0.46 0.55 0.15 1.64 2.35 -1.92 0.41 115.58 119.22 1wif h ASN 37 Ca -0.35 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1wif h ASN 37 Cb 1.28 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1wif h ASN 37 CO 0.45 -0.06 -1.26 0.18 -1.65 0.00 0.00 177.43 175.09 1wif n LEU 38 N -5.00 0.60 -0.39 1.61 4.32 -1.26 -4.94 117.00 111.94 1wif n LEU 38 Ca 0.30 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1wif n LEU 38 Cb 0.89 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.65 1wif n LEU 38 CO 0.12 0.11 -0.12 0.61 -1.22 0.00 0.00 177.39 176.90 1wif n GLY 39 N 1.39 -3.19 3.49 -0.72 0.00 0.14 -4.70 105.19 101.61 1wif n GLY 39 Ca 0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1wif n GLY 39 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 40 N -1.52 1.28 -1.02 0.99 -0.00 -1.26 -4.75 117.00 110.71 1wif n LEU 40 Ca 0.00 0.03 0.08 0.00 -0.00 0.00 0.00 56.01 56.12 1wif n LEU 40 Cb 0.08 -1.19 0.24 0.00 -0.00 0.00 0.00 43.42 42.55 1wif n LEU 40 CO 0.00 -1.00 0.70 0.61 -0.00 0.00 0.00 177.39 177.70 1wif n GLY 41 N 6.41 1.58 0.20 1.47 0.00 -1.26 -4.92 105.19 108.67 1wif n GLY 41 Ca 0.52 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1wif n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 42 N 1.04 -0.00 -4.56 0.99 -0.00 -1.26 -4.64 117.00 108.57 1wif n LEU 42 Ca 0.18 0.07 -0.41 0.00 -0.00 0.00 0.00 56.01 55.85 1wif n LEU 42 Cb 0.48 -0.05 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 1wif n LEU 42 CO 0.13 -0.11 1.57 -0.69 -0.00 0.00 0.00 177.39 178.29 1wif s VAL 43 N -0.00 3.95 0.77 1.47 1.01 0.58 -4.86 120.40 123.32 1wif s VAL 43 Ca 0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1wif s VAL 43 Cb -0.07 -5.08 0.08 0.00 0.00 0.00 0.00 36.38 31.31 1wif s VAL 43 CO 0.03 -1.95 1.11 -0.69 0.00 0.00 0.00 175.10 173.61 1wif s VAL 44 N 4.90 2.13 0.03 2.92 1.01 -1.26 -1.16 120.40 128.96 1wif s VAL 44 Ca 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1wif s VAL 44 Cb 0.01 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1wif s VAL 44 CO -0.07 0.00 0.02 0.27 0.00 0.00 0.00 175.10 175.33 1wif s ILE 45 N -3.44 0.13 -1.07 2.22 -4.36 -0.99 -4.69 121.20 109.01 1wif s ILE 45 Ca 0.62 -1.07 -0.22 0.00 -0.26 0.00 0.00 60.65 59.72 1wif s ILE 45 Cb -0.10 -0.63 0.05 0.00 1.25 0.00 0.00 42.46 43.02 1wif s ILE 45 CO 0.47 -0.59 1.51 -1.58 0.24 0.00 0.00 174.94 175.00 1wif s GLN 46 N -2.11 3.63 -0.57 0.37 -0.44 -1.26 -3.16 119.66 116.13 1wif s GLN 46 Ca -0.10 -1.25 0.04 0.00 -2.50 0.00 0.00 55.36 51.55 1wif s GLN 46 Cb -0.05 -5.38 0.14 0.00 -1.64 0.00 0.00 33.01 26.08 1wif s GLN 46 CO -0.03 -2.25 0.32 1.21 0.50 0.00 0.00 175.29 175.04 1wif s ASN 47 N 4.92 4.46 0.00 6.67 2.47 -1.24 -5.04 114.94 127.18 1wif s ASN 47 Ca 0.48 -3.22 0.00 0.00 0.42 0.00 0.00 52.86 50.54 1wif s ASN 47 Cb 0.01 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1wif s ASN 47 CO -0.07 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 1wif n GLY 48 N 2.84 -1.87 0.00 1.21 0.00 -1.26 -3.93 105.19 102.17 1wif n GLY 48 Ca 0.09 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.69 1wif n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 49 N 0.00 0.49 -4.21 1.61 -0.04 -1.26 -4.70 135.00 126.89 1wif n PRO 49 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1wif n PRO 49 Cb 0.00 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 1wif n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wif s TYR 50 N -2.00 1.31 -0.57 0.54 2.02 -1.25 -3.81 117.35 113.58 1wif s TYR 50 Ca 0.16 -0.53 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 1wif s TYR 50 Cb 0.07 -0.70 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 1wif s TYR 50 CO 0.12 0.10 0.76 -0.51 -1.57 0.00 0.00 175.55 174.45 1wif s LEU 51 N -2.21 4.87 -0.29 -1.29 2.01 -1.26 -3.64 118.68 116.87 1wif s LEU 51 Ca 0.05 -1.02 -0.23 0.00 0.01 0.00 0.00 54.13 52.94 1wif s LEU 51 Cb -0.06 -2.45 -0.00 0.00 0.01 0.00 0.00 46.19 43.69 1wif s LEU 51 CO 0.02 -1.12 0.79 -1.10 1.01 0.00 0.00 176.35 175.95 1wif s GLN 52 N 3.12 4.01 -0.03 1.70 -0.21 -1.19 -4.13 119.66 122.93 1wif s GLN 52 Ca 0.17 0.65 -0.30 0.00 0.02 0.00 0.00 55.36 55.90 1wif s GLN 52 Cb -0.19 -3.71 -0.09 0.00 1.00 0.00 0.00 33.01 30.02 1wif s GLN 52 CO 0.11 -0.63 2.01 -0.89 -2.12 0.00 0.00 175.29 173.76 1wif n ILE 53 N 5.47 0.67 -0.01 1.08 5.41 -1.21 -2.35 119.36 128.42 1wif n ILE 53 Ca 0.04 -0.19 -0.09 0.00 1.00 0.00 0.00 62.75 63.51 1wif n ILE 53 Cb 0.48 -2.29 -0.14 0.00 -0.71 0.00 0.00 39.64 36.99 1wif n ILE 53 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1wif h SER 54 N 11.17 0.01 -4.36 4.38 0.87 -1.43 0.54 113.55 124.74 1wif h SER 54 Ca -0.48 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.13 1wif h SER 54 Cb 1.25 -0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 63.00 1wif h SER 54 CO 0.95 1.02 0.49 -2.28 -0.53 0.00 0.00 176.83 176.47 1wif s HIS 55 N -2.62 -0.40 -0.14 2.24 5.65 -0.31 -4.87 115.29 114.85 1wif s HIS 55 Ca -0.04 0.59 -0.06 0.00 0.25 0.00 0.00 55.06 55.81 1wif s HIS 55 Cb 0.08 0.47 -0.04 0.00 -1.18 0.00 0.00 32.58 31.91 1wif s HIS 55 CO 0.82 -0.42 0.05 -0.51 -0.65 0.00 0.00 174.74 174.03 1wif s LEU 56 N -1.45 3.82 -0.54 8.88 1.43 -1.26 0.22 118.68 129.79 1wif s LEU 56 Ca -0.01 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 1wif s LEU 56 Cb -0.01 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1wif s LEU 56 CO 0.00 0.28 1.63 -0.63 0.23 0.00 0.00 176.35 177.86 1wif s ILE 57 N -0.24 3.58 0.25 -0.59 1.09 -1.26 -4.82 121.20 119.21 1wif s ILE 57 Ca 0.08 0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 60.07 1wif s ILE 57 Cb -0.12 -4.13 0.38 0.00 -1.06 0.00 0.00 42.46 37.54 1wif s ILE 57 CO 0.02 -0.95 1.35 -3.20 -0.10 0.00 0.00 174.94 172.06 1wif n ASN 58 N 10.76 -0.23 -1.57 3.58 5.15 -1.26 0.16 115.26 131.85 1wif n ASN 58 Ca 0.17 1.48 -0.02 0.00 -0.60 0.00 0.00 54.58 55.60 1wif n ASN 58 Cb 0.50 -0.48 -0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1wif n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wif n LYS 59 N -5.35 1.13 -0.79 1.20 4.76 -1.26 -4.68 118.16 113.17 1wif n LYS 59 Ca 0.16 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1wif n LYS 59 Cb 0.52 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wif n GLY 60 N 1.44 5.44 0.10 0.72 0.00 0.43 -4.78 105.19 108.55 1wif n GLY 60 Ca 0.05 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 1wif n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wif n ALA 61 N -3.00 0.81 -0.34 4.61 0.00 -1.26 -4.18 120.51 117.15 1wif n ALA 61 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 53.44 52.88 1wif n ALA 61 Cb 0.00 -0.24 0.24 0.00 0.00 0.00 0.00 19.45 19.46 1wif n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wif h ALA 62 N -0.76 1.45 -0.73 0.00 0.00 -1.92 0.35 119.26 117.66 1wif h ALA 62 Ca -0.32 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1wif h ALA 62 Cb 1.17 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1wif h ALA 62 CO -0.19 0.08 0.48 0.00 0.00 0.00 0.00 179.25 179.62 1wif h ALA 63 N 1.55 2.01 -0.38 0.00 0.00 -1.76 0.35 119.26 121.04 1wif h ALA 63 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1wif h ALA 63 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wif h ALA 63 CO -0.31 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.18 1wif n SER 64 N -4.49 2.75 -4.32 0.00 7.64 0.09 -4.79 113.62 110.51 1wif n SER 64 Ca 0.13 -2.19 -0.37 0.00 1.01 0.00 0.00 58.87 57.45 1wif n SER 64 Cb 0.45 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.12 1wif n SER 64 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wif s ASP 65 N -0.79 5.04 -0.02 6.43 2.15 0.12 -4.96 116.67 124.64 1wif s ASP 65 Ca 0.29 -0.78 0.04 0.00 0.43 0.00 0.00 52.55 52.52 1wif s ASP 65 Cb 0.18 -1.85 0.14 0.00 -0.30 0.00 0.00 42.92 41.09 1wif s ASP 65 CO 0.15 -0.20 0.92 0.61 -0.17 0.00 0.00 175.17 176.49 1wif n GLY 66 N 4.83 0.71 0.05 2.66 0.00 -1.26 -3.43 105.19 108.76 1wif n GLY 66 Ca -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 0.02 0.74 -4.18 -0.61 -0.00 -1.26 -4.97 119.36 109.10 1wif n ILE 67 Ca 0.05 -0.50 -0.35 0.00 -0.00 0.00 0.00 62.75 61.96 1wif n ILE 67 Cb 0.27 -0.55 -0.10 0.00 -0.00 0.00 0.00 39.64 39.27 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1wif s LEU 68 N -4.78 3.67 0.18 1.39 1.43 -1.22 -4.94 118.68 114.41 1wif s LEU 68 Ca -0.06 0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1wif s LEU 68 Cb 0.04 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1wif s LEU 68 CO 0.52 0.24 -0.17 -1.10 0.23 0.00 0.00 176.35 176.07 1wif s GLN 69 N -0.03 1.79 -1.19 1.70 -0.21 -1.26 -4.88 119.66 115.58 1wif s GLN 69 Ca 0.05 -1.39 -0.23 0.00 0.02 0.00 0.00 55.36 53.81 1wif s GLN 69 Cb -0.12 -2.01 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 1wif s GLN 69 CO 0.01 0.42 1.93 -1.25 -2.12 0.00 0.00 175.29 174.29 1wif s PRO 70 N -2.72 2.49 0.00 2.91 0.04 -1.26 -3.36 135.00 133.10 1wif s PRO 70 Ca 0.23 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 60.08 1wif s PRO 70 Cb -0.08 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wif s PRO 70 CO 0.12 -4.00 0.00 0.41 0.04 0.00 0.00 177.00 173.58 1wif n GLY 71 N 5.79 0.00 3.85 0.56 0.00 0.19 -4.53 105.19 111.05 1wif n GLY 71 Ca 0.45 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 1wif n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wif s ASP 72 N 0.00 5.02 -0.55 1.61 1.01 -1.21 -4.64 116.67 117.91 1wif s ASP 72 Ca 0.00 -0.73 -0.01 0.00 0.71 0.00 0.00 52.55 52.51 1wif s ASP 72 Cb 0.00 -0.63 0.14 0.00 1.01 0.00 0.00 42.92 43.44 1wif s ASP 72 CO 0.00 -0.58 0.34 -0.69 0.21 0.00 0.00 175.17 174.45 1wif s VAL 73 N -2.45 3.37 0.43 -1.27 1.01 -1.23 -3.31 120.40 116.95 1wif s VAL 73 Ca 0.46 -2.80 -0.26 0.00 0.00 0.00 0.00 61.98 59.38 1wif s VAL 73 Cb -0.03 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1wif s VAL 73 CO 0.27 -0.81 1.42 0.18 0.00 0.00 0.00 175.10 176.16 1wif n LEU 74 N 3.69 4.86 -0.53 3.92 7.99 -1.26 -2.37 117.00 133.31 1wif n LEU 74 Ca 0.05 1.14 0.02 0.00 -0.01 0.00 0.00 56.01 57.22 1wif n LEU 74 Cb 0.38 -1.59 0.03 0.00 -0.11 0.00 0.00 43.42 42.13 1wif n LEU 74 CO 0.33 -0.16 0.29 -0.38 -1.51 0.00 0.00 177.39 175.96 1wif n ILE 75 N -0.06 0.40 0.00 -0.08 -0.00 0.18 -3.99 119.36 115.82 1wif n ILE 75 Ca 0.04 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.19 1wif n ILE 75 Cb 0.40 0.40 0.00 0.00 -0.00 0.00 0.00 39.64 40.44 1wif n ILE 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1wif n SER 76 N -0.24 0.00 -4.38 4.38 3.41 -1.26 -4.36 113.62 111.17 1wif n SER 76 Ca 0.04 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.20 1wif n SER 76 Cb 0.74 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 1wif n SER 76 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wif s VAL 77 N 0.00 5.00 0.00 -3.33 1.01 -1.05 -3.74 120.40 118.29 1wif s VAL 77 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1wif s VAL 77 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1wif s VAL 77 CO 0.00 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.84 1wif n GLY 78 N 5.23 0.63 2.78 4.51 0.00 -1.26 -3.67 105.19 113.41 1wif n GLY 78 Ca -0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1wif n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wif n HIS 79 N -1.32 -0.00 -4.00 1.61 -0.00 -1.26 -4.92 115.22 105.32 1wif n HIS 79 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1wif n HIS 79 Cb 0.43 -2.81 -0.15 0.00 -0.12 0.00 0.00 29.99 27.34 1wif n HIS 79 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wif s ALA 80 N -1.96 2.86 -0.80 1.57 0.00 -1.24 -5.03 121.76 117.15 1wif s ALA 80 Ca 0.00 -2.54 -0.16 0.00 0.00 0.00 0.00 51.96 49.25 1wif s ALA 80 Cb 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 23.12 20.94 1wif s ALA 80 CO 0.00 -1.71 2.09 -1.71 0.00 0.00 0.00 175.76 174.43 1wif n ASN 81 N 4.21 0.00 -0.81 0.00 5.15 -1.26 -2.52 115.26 120.03 1wif n ASN 81 Ca 0.04 -1.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 1wif n ASN 81 Cb 0.41 -1.11 0.06 0.00 -0.53 0.00 0.00 39.78 38.62 1wif n ASN 81 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wif n VAL 82 N 7.03 0.62 0.28 3.44 0.24 -1.26 -4.32 118.33 124.35 1wif n VAL 82 Ca 0.48 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.34 62.36 1wif n VAL 82 Cb 0.33 -0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 32.08 1wif n VAL 82 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1wif h LEU 83 N 0.73 -1.14 -3.98 1.34 6.46 -1.80 -2.81 115.31 114.11 1wif h LEU 83 Ca 0.02 0.09 -0.55 0.00 -0.12 0.00 0.00 57.88 57.31 1wif h LEU 83 Cb 0.84 0.37 -0.30 0.00 -0.73 0.00 0.00 40.66 40.85 1wif h LEU 83 CO 0.10 -0.59 0.71 0.61 -0.62 0.00 0.00 178.44 178.65 1wif n GLY 84 N -1.52 4.83 3.79 3.75 0.00 -1.25 -3.92 105.19 110.87 1wif n GLY 84 Ca -0.11 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1wif n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wif s TYR 85 N -3.40 3.78 0.75 1.61 1.51 -1.06 -5.01 117.35 115.53 1wif s TYR 85 Ca 0.58 1.29 -0.09 0.00 -1.01 0.00 0.00 57.07 57.84 1wif s TYR 85 Cb 0.48 -2.55 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1wif s TYR 85 CO 0.08 0.51 1.09 0.95 -1.11 0.00 0.00 175.55 177.07 1wif s THR 86 N -0.85 2.25 0.36 -0.71 -4.23 -1.26 -4.35 115.64 106.85 1wif s THR 86 Ca 0.30 -0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 1wif s THR 86 Cb -0.19 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.74 1wif s THR 86 CO 0.19 -0.04 1.86 0.25 -0.54 0.00 0.00 174.62 176.34 1wif h LEU 87 N -0.79 0.26 0.00 4.79 5.85 -1.96 0.42 115.31 123.87 1wif h LEU 87 Ca -0.45 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1wif h LEU 87 Cb 1.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1wif h LEU 87 CO 0.63 0.46 -0.00 0.08 -0.34 0.00 0.00 178.44 179.27 1wif h ARG 88 N 0.25 0.00 0.04 1.25 0.11 -2.00 -3.00 114.38 111.03 1wif h ARG 88 Ca 0.05 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.78 1wif h ARG 88 Cb 0.48 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.51 1wif h ARG 88 CO 0.03 0.00 -2.09 0.39 0.10 0.00 0.00 179.97 178.41 1wif n GLU 89 N -3.02 0.69 0.00 0.08 -0.58 -0.80 -3.76 120.64 113.25 1wif n GLU 89 Ca 0.04 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.85 1wif n GLU 89 Cb 0.52 -1.66 -0.09 0.00 -0.57 0.00 0.00 31.44 29.64 1wif n GLU 89 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1wif h PHE 90 N 0.02 0.02 0.00 -0.32 3.57 -0.26 -0.98 116.94 118.99 1wif h PHE 90 Ca -0.44 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1wif h PHE 90 Cb 2.04 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.78 1wif h PHE 90 CO 0.03 0.32 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.27 1wif h LEU 91 N -0.29 0.00 0.00 0.59 -0.00 -1.73 -0.36 115.31 113.52 1wif h LEU 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1wif h LEU 91 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1wif h LEU 91 CO 0.00 0.09 -0.39 2.29 -0.00 0.00 0.00 178.44 180.43 1wif n LYS 92 N -4.01 0.10 -0.04 1.13 -0.00 -1.09 -3.39 118.16 110.87 1wif n LYS 92 Ca -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 58.31 58.31 1wif n LYS 92 Cb 0.18 -1.58 -0.00 0.00 -0.00 0.00 0.00 35.03 33.62 1wif n LYS 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1wif h LEU 93 N 0.00 0.00 -2.17 -5.58 5.85 0.32 -3.25 115.31 110.49 1wif h LEU 93 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1wif h LEU 93 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1wif h LEU 93 CO 0.00 0.40 0.24 -0.07 -0.34 0.00 0.00 178.44 178.67 1wif h LEU 94 N -0.67 0.00 -0.78 2.25 -0.00 -1.64 0.73 115.31 115.20 1wif h LEU 94 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 1wif h LEU 94 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1wif h LEU 94 CO 0.00 0.00 -0.49 0.06 -0.00 0.00 0.00 178.44 178.01 1wif h GLN 95 N 0.00 0.30 0.00 1.13 3.07 -1.70 -2.51 115.11 115.40 1wif h GLN 95 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1wif h GLN 95 Cb 0.58 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1wif h GLN 95 CO -0.00 0.73 0.00 0.09 0.09 0.00 0.00 178.83 179.73 1wif n ASN 96 N -3.97 0.00 -4.91 0.06 3.02 0.25 -4.79 115.26 104.92 1wif n ASN 96 Ca -0.02 -1.04 -0.27 0.00 -0.03 0.00 0.00 54.58 53.21 1wif n ASN 96 Cb 0.54 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wif s ILE 97 N -2.00 4.94 0.26 2.41 -1.09 -0.95 -5.10 121.20 119.67 1wif s ILE 97 Ca 0.22 0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1wif s ILE 97 Cb 0.10 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1wif s ILE 97 CO 0.17 -0.68 0.30 -0.89 -1.23 0.00 0.00 174.94 172.62 1wif s THR 98 N -2.52 4.74 0.33 2.92 2.01 -1.26 -5.04 115.64 116.82 1wif s THR 98 Ca 0.46 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1wif s THR 98 Cb -0.10 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1wif s THR 98 CO 0.39 -0.32 1.31 -0.63 -0.69 0.00 0.00 174.62 174.69 1wif s ILE 99 N -2.08 2.69 -0.32 1.82 1.01 -1.26 -3.72 121.20 119.35 1wif s ILE 99 Ca 0.35 0.69 -0.00 0.00 0.00 0.00 0.00 60.65 61.69 1wif s ILE 99 Cb -0.08 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 1wif s ILE 99 CO 0.27 0.17 0.26 0.61 0.00 0.00 0.00 174.94 176.25 1wif n GLY 100 N 0.79 0.25 3.13 6.18 0.00 -1.09 -5.00 105.19 109.44 1wif n GLY 100 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1wif n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wif s THR 101 N -3.10 2.02 -0.51 2.61 2.01 -1.24 -4.94 115.64 112.48 1wif s THR 101 Ca 0.02 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1wif s THR 101 Cb -0.00 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.73 1wif s THR 101 CO 0.20 0.54 0.91 -0.69 -0.69 0.00 0.00 174.62 174.88 1wif s VAL 102 N 1.13 4.46 0.21 3.82 1.01 -1.26 -3.82 120.40 125.95 1wif s VAL 102 Ca 0.01 0.44 0.11 0.00 0.00 0.00 0.00 61.98 62.53 1wif s VAL 102 Cb -0.14 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1wif s VAL 102 CO -0.09 -0.96 -0.17 -0.76 0.00 0.00 0.00 175.10 173.12 1wif s LEU 103 N 3.77 2.68 -0.61 3.92 2.01 -1.26 -5.02 118.68 124.16 1wif s LEU 103 Ca 0.32 -0.78 -0.12 0.00 0.01 0.00 0.00 54.13 53.56 1wif s LEU 103 Cb -0.12 -1.35 0.16 0.00 0.01 0.00 0.00 46.19 44.89 1wif s LEU 103 CO 0.22 0.10 0.52 -1.58 1.01 0.00 0.00 176.35 176.62 1wif s GLN 104 N -2.90 2.95 -0.68 1.70 0.74 -1.26 -3.54 119.66 116.66 1wif s GLN 104 Ca 0.24 -2.06 -0.26 0.00 0.05 0.00 0.00 55.36 53.33 1wif s GLN 104 Cb -0.08 -4.15 0.04 0.00 1.10 0.00 0.00 33.01 29.93 1wif s GLN 104 CO 0.13 -1.26 1.17 0.42 -0.55 0.00 0.00 175.29 175.21 1wif s ILE 105 N 0.89 3.94 -0.32 -2.34 -1.09 -0.96 -4.26 121.20 117.07 1wif s ILE 105 Ca 0.10 0.33 -0.13 0.00 -2.23 0.00 0.00 60.65 58.72 1wif s ILE 105 Cb -0.22 -4.81 -0.03 0.00 -1.58 0.00 0.00 42.46 35.83 1wif s ILE 105 CO -0.02 -1.63 0.27 -0.75 -1.23 0.00 0.00 174.94 171.58 1wif s LYS 106 N 5.13 3.69 0.24 2.79 2.20 -1.25 -3.00 119.74 129.54 1wif s LYS 106 Ca 0.33 -0.42 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1wif s LYS 106 Cb -0.10 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 1wif s LYS 106 CO 0.16 -0.38 -0.08 0.00 -0.36 0.00 0.00 175.35 174.70 1wif s ALA 107 N 1.85 2.07 0.09 3.13 0.00 0.59 0.50 121.76 129.98 1wif s ALA 107 Ca 0.09 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.30 1wif s ALA 107 Cb -0.17 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1wif s ALA 107 CO 0.11 -0.07 0.17 0.71 0.00 0.00 0.00 175.76 176.68 1wif s TYR 108 N -3.11 3.38 -0.04 0.00 2.02 -1.00 -0.26 117.35 118.35 1wif s TYR 108 Ca 0.26 0.16 0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1wif s TYR 108 Cb 0.03 -1.68 -0.14 0.00 -0.40 0.00 0.00 41.96 39.76 1wif s TYR 108 CO 0.09 0.55 0.22 0.54 -1.57 0.00 0.00 175.55 175.38 1wif n ARG 109 N 0.18 0.54 -0.01 -0.62 5.12 -1.18 -3.54 116.66 117.15 1wif n ARG 109 Ca -0.07 -0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 55.76 1wif n ARG 109 Cb 0.52 -1.20 -0.01 0.00 -1.16 0.00 0.00 32.46 30.61 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wif n GLY 110 N 1.92 -0.04 0.00 -0.13 0.00 -1.26 -4.81 105.19 100.87 1wif n GLY 110 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wif n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wif n PHE 111 N -2.52 -0.00 -3.94 1.61 7.35 -1.26 -4.17 117.46 114.53 1wif n PHE 111 Ca -0.04 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.37 1wif n PHE 111 Cb 0.54 -0.35 -0.16 0.00 0.35 0.00 0.00 39.48 39.86 1wif n PHE 111 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1wif s LEU 112 N -5.39 1.65 0.97 -2.13 0.20 -1.26 -5.14 118.68 107.58 1wif s LEU 112 Ca -0.00 -0.58 -0.16 0.00 0.69 0.00 0.00 54.13 54.08 1wif s LEU 112 Cb 0.00 -1.01 0.20 0.00 -0.43 0.00 0.00 46.19 44.95 1wif s LEU 112 CO 0.00 -0.13 1.33 -1.61 -0.29 0.00 0.00 176.35 175.64 1wif s GLU 113 N 1.58 0.61 0.18 1.98 2.02 -1.26 -4.75 118.70 119.06 1wif s GLU 113 Ca 0.02 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 1wif s GLU 113 Cb -0.14 -1.84 -0.08 0.00 0.10 0.00 0.00 34.13 32.17 1wif s GLU 113 CO -0.09 -2.43 1.18 0.42 0.02 0.00 0.00 175.26 174.36 1wif s ILE 114 N -3.89 3.65 -0.53 -1.63 1.01 -1.26 -4.95 121.20 113.59 1wif s ILE 114 Ca 0.74 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 62.51 1wif s ILE 114 Cb -0.04 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1wif s ILE 114 CO 0.53 0.22 1.81 -2.16 0.00 0.00 0.00 174.94 175.35 1wif s PRO 115 N -0.24 2.87 0.19 2.79 0.04 -1.26 -4.89 135.00 134.51 1wif s PRO 115 Ca 0.52 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 1wif s PRO 115 Cb -0.32 -4.31 0.12 0.00 0.04 0.00 0.00 34.50 30.03 1wif s PRO 115 CO 0.36 -2.43 1.48 0.00 0.04 0.00 0.00 177.00 176.45 1wif n GLN 116 N 8.92 -0.30 -0.19 4.56 10.64 -1.26 0.36 117.38 140.10 1wif n GLN 116 Ca 0.21 1.46 0.18 0.00 -1.83 0.00 0.00 57.00 57.02 1wif n GLN 116 Cb 0.50 -2.16 0.32 0.00 -0.86 0.00 0.00 30.24 28.04 1wif n GLN 116 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1wif n GLU 117 N -5.33 -0.03 0.09 2.61 -0.58 -1.26 0.32 120.64 116.46 1wif n GLU 117 Ca 0.07 0.69 -0.04 0.00 -0.42 0.00 0.00 57.16 57.46 1wif n GLU 117 Cb 0.33 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.91 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1wif h TRP 118 N 0.00 -0.24 -1.98 -0.32 4.06 -0.49 -3.45 115.95 113.53 1wif h TRP 118 Ca 0.44 -0.01 -0.64 0.00 2.06 0.00 0.00 58.89 60.75 1wif h TRP 118 Cb 1.26 0.08 0.09 0.00 -1.00 0.00 0.00 29.16 29.59 1wif h TRP 118 CO -0.00 -0.15 0.12 1.04 -3.56 0.00 0.00 178.44 175.88 1wif n GLN 119 N -3.30 1.05 -0.13 0.49 1.13 0.15 -4.92 117.38 111.85 1wif n GLN 119 Ca -0.03 0.37 -0.25 0.00 -1.94 0.00 0.00 57.00 55.15 1wif n GLN 119 Cb 0.10 -1.76 -0.10 0.00 0.11 0.00 0.00 30.24 28.59 1wif n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wif n ASP 120 N 1.72 1.92 -2.77 1.08 -0.08 -1.26 -4.93 116.55 112.23 1wif n ASP 120 Ca 0.14 0.20 -0.03 0.00 -1.51 0.00 0.00 54.79 53.59 1wif n ASP 120 Cb 0.27 -0.67 -0.02 0.00 2.34 0.00 0.00 41.12 43.04 1wif n ASP 120 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wif n SER 121 N -3.92 -4.51 -1.50 1.67 2.88 -1.26 -5.04 113.62 101.95 1wif n SER 121 Ca -0.50 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1wif n SER 121 Cb 0.90 -4.44 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 122 N 1.45 0.72 3.55 0.46 0.00 -1.26 -4.96 105.19 105.15 1wif n GLY 122 Ca -0.19 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1wif n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wif s PRO 123 N 1.58 2.62 -0.21 1.61 0.04 -1.26 -4.79 135.00 134.60 1wif s PRO 123 Ca 0.00 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1wif s PRO 123 Cb 0.00 -4.49 -0.08 0.00 0.04 0.00 0.00 34.50 29.97 1wif s PRO 123 CO 0.00 -2.83 -0.32 0.43 0.04 0.00 0.00 177.00 174.32 1wif n SER 124 N 12.93 1.93 -4.17 6.66 7.64 -1.26 -4.95 113.62 132.40 1wif n SER 124 Ca 0.23 0.36 -0.33 0.00 1.01 0.00 0.00 58.87 60.14 1wif n SER 124 Cb 0.51 -0.78 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 1wif n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wif s SER 125 N -6.39 3.32 0.00 6.43 0.01 -1.26 -5.33 113.70 110.47 1wif s SER 125 Ca -0.31 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1wif s SER 125 Cb 0.07 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1wif s SER 125 CO 0.44 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.72