#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wif s SER 2 N 0.00 -0.08 0.00 1.61 1.04 -1.26 -5.19 113.70 109.82 1wif s SER 2 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wif s SER 2 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1wif s SER 2 CO 0.00 -0.12 0.00 -1.20 0.98 0.00 0.00 173.24 172.90 1wif n SER 3 N 0.16 0.00 -3.65 7.02 7.64 -1.26 -5.20 113.62 118.34 1wif n SER 3 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wif n SER 3 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1wif n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wif s GLY 4 N 0.00 -0.17 0.24 0.23 0.00 -1.26 -5.19 107.32 101.17 1wif s GLY 4 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.68 1wif s GLY 4 CO 0.00 2.74 0.63 -0.56 0.00 0.00 0.00 173.10 175.91 1wif s SER 5 N -3.39 -0.29 -0.15 1.64 0.01 -1.26 -5.12 113.70 105.14 1wif s SER 5 Ca 0.22 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1wif s SER 5 Cb 0.01 0.66 0.13 0.00 0.21 0.00 0.00 66.02 67.02 1wif s SER 5 CO 0.00 -1.20 1.00 -0.44 0.41 0.00 0.00 173.24 173.01 1wif s SER 6 N -2.90 -0.36 0.24 2.44 0.01 -1.26 -5.15 113.70 106.72 1wif s SER 6 Ca 0.10 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1wif s SER 6 Cb -0.03 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wif s SER 6 CO 0.02 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1wif n GLY 7 N 0.66 -1.32 2.46 3.44 0.00 -1.24 -4.55 105.19 104.65 1wif n GLY 7 Ca -0.10 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.35 0.66 0.00 1.61 2.88 -1.26 -4.57 113.62 108.58 1wif n SER 8 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1wif n SER 8 Cb 0.61 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 4.47 -0.09 -0.68 -1.46 4.81 -1.26 -5.02 118.16 118.93 1wif n LYS 9 Ca 0.33 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.48 1wif n LYS 9 Cb -0.03 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.27 1wif n LYS 9 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1wif s ASN 10 N -4.00 0.27 0.33 3.14 2.47 -1.26 -4.86 114.94 111.03 1wif s ASN 10 Ca 0.00 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.26 1wif s ASN 10 Cb 0.00 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 1wif s ASN 10 CO 0.00 -4.56 0.00 -0.62 -3.72 0.00 0.00 177.10 168.20 1wif n GLU 11 N -5.10 -1.55 -0.84 0.43 1.02 -1.26 -4.84 120.64 108.49 1wif n GLU 11 Ca 0.09 1.02 -0.35 0.00 -0.02 0.00 0.00 57.16 57.91 1wif n GLU 11 Cb 0.58 -1.89 0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wif n LYS 12 N -2.81 -0.60 -1.88 3.49 4.01 -1.26 -4.85 118.16 114.26 1wif n LYS 12 Ca 0.01 -0.16 -0.40 0.00 -0.51 0.00 0.00 58.31 57.25 1wif n LYS 12 Cb 0.35 -1.46 0.01 0.00 -0.51 0.00 0.00 35.03 33.42 1wif n LYS 12 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wif s GLU 13 N -2.91 3.73 0.00 1.97 2.02 -1.26 -4.87 118.70 117.38 1wif s GLU 13 Ca 0.49 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.80 1wif s GLU 13 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1wif s GLU 13 CO 0.70 -0.74 0.35 1.04 0.02 0.00 0.00 175.26 176.62 1wif n GLN 14 N -0.16 0.00 -2.46 1.61 6.02 -1.26 -5.02 117.38 116.11 1wif n GLN 14 Ca 0.05 -0.35 -0.25 0.00 -0.01 0.00 0.00 57.00 56.45 1wif n GLN 14 Cb 0.43 -0.37 0.14 0.00 1.02 0.00 0.00 30.24 31.46 1wif n GLN 14 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1wif n LEU 15 N 0.00 0.00 -4.52 1.08 -0.00 -1.26 -3.67 117.00 108.64 1wif n LEU 15 Ca 0.00 -2.01 -0.35 0.00 -0.00 0.00 0.00 56.01 53.65 1wif n LEU 15 Cb 0.49 -0.73 0.10 0.00 -0.00 0.00 0.00 43.42 43.27 1wif n LEU 15 CO 0.00 -1.08 0.23 -1.20 -0.00 0.00 0.00 177.39 175.33 1wif n SER 16 N -3.09 -0.75 -4.96 1.45 7.64 -1.26 -4.95 113.62 107.69 1wif n SER 16 Ca 0.17 0.54 -0.22 0.00 1.01 0.00 0.00 58.87 60.37 1wif n SER 16 Cb 0.60 -1.30 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wif n SER 16 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wif s LYS 17 N -3.32 3.21 -0.31 1.43 -0.14 -1.26 -5.10 119.74 114.25 1wif s LYS 17 Ca 0.66 -0.64 -0.02 0.00 -1.36 0.00 0.00 55.97 54.61 1wif s LYS 17 Cb -0.30 -2.69 0.11 0.00 -1.68 0.00 0.00 37.83 33.26 1wif s LYS 17 CO 0.58 -0.01 0.14 0.00 -0.76 0.00 0.00 175.35 175.29 1wif s ALA 18 N -2.33 0.94 0.11 5.17 0.00 -1.26 -5.11 121.76 119.28 1wif s ALA 18 Ca 0.44 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1wif s ALA 18 Cb -0.10 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1wif s ALA 18 CO 0.35 -1.72 0.47 1.17 0.00 0.00 0.00 175.76 176.02 1wif n LYS 19 N 4.94 0.36 -1.25 0.00 3.00 -1.26 -5.17 118.16 118.77 1wif n LYS 19 Ca -0.02 -0.78 -0.29 0.00 -0.00 0.00 0.00 58.31 57.22 1wif n LYS 19 Cb 0.41 1.03 0.17 0.00 0.00 0.00 0.00 35.03 36.64 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wif s ALA 20 N -1.50 1.15 -0.02 3.14 0.00 -1.26 -4.88 121.76 118.39 1wif s ALA 20 Ca 0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1wif s ALA 20 Cb -0.02 -3.10 -0.19 0.00 0.00 0.00 0.00 23.12 19.82 1wif s ALA 20 CO 0.03 -2.70 3.19 0.45 0.00 0.00 0.00 175.76 176.73 1wif n SER 21 N -4.08 5.33 -4.63 0.00 2.88 -1.26 -4.86 113.62 107.00 1wif n SER 21 Ca 0.05 -2.50 -0.25 0.00 -1.33 0.00 0.00 58.87 54.84 1wif n SER 21 Cb 0.58 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.62 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 0.60 3.48 -0.15 2.46 1.01 -1.26 -4.84 120.40 121.70 1wif s VAL 22 Ca 0.50 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wif s VAL 22 Cb 0.25 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1wif s VAL 22 CO -0.01 -0.20 0.14 -0.24 0.00 0.00 0.00 175.10 174.79 1wif n SER 23 N -0.33 -3.16 -3.59 3.32 2.88 -1.26 -5.06 113.62 106.42 1wif n SER 23 Ca -0.09 -0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.14 1wif n SER 23 Cb 0.56 -1.86 -0.14 0.00 -0.75 0.00 0.00 64.21 62.03 1wif n SER 23 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wif s SER 24 N -2.21 3.49 0.91 -3.46 0.15 -1.26 -5.13 113.70 106.18 1wif s SER 24 Ca 0.00 -1.86 -0.14 0.00 0.70 0.00 0.00 55.95 54.65 1wif s SER 24 Cb -0.00 -0.59 0.17 0.00 -1.71 0.00 0.00 66.02 63.89 1wif s SER 24 CO 0.15 -0.37 1.27 -0.76 1.20 0.00 0.00 173.24 174.73 1wif s LEU 25 N 1.39 2.70 -0.25 3.45 1.43 -1.26 -5.07 118.68 121.07 1wif s LEU 25 Ca 0.13 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1wif s LEU 25 Cb -0.20 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.61 1wif s LEU 25 CO -0.16 -2.51 -0.08 0.20 0.23 0.00 0.00 176.35 174.03 1wif s ASN 26 N -4.82 4.12 -0.21 2.29 0.01 -1.26 -5.11 114.94 109.97 1wif s ASN 26 Ca 0.71 -1.28 -0.11 0.00 -0.71 0.00 0.00 52.86 51.46 1wif s ASN 26 Cb -0.05 -1.34 -0.05 0.00 0.41 0.00 0.00 41.25 40.21 1wif s ASN 26 CO 0.52 -0.22 0.18 -0.75 -1.51 0.00 0.00 177.10 175.32 1wif s LYS 27 N 1.26 4.15 0.32 -0.60 2.36 -1.26 -5.05 119.74 120.92 1wif s LYS 27 Ca -0.07 -0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 52.89 1wif s LYS 27 Cb -0.19 -3.48 -0.10 0.00 -1.05 0.00 0.00 37.83 33.00 1wif s LYS 27 CO -0.06 0.17 1.40 0.08 1.55 0.00 0.00 175.35 178.50 1wif s VAL 28 N 0.72 2.49 -0.16 4.02 1.01 -1.26 -4.70 120.40 122.51 1wif s VAL 28 Ca 0.10 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 1wif s VAL 28 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1wif s VAL 28 CO 0.02 0.10 0.56 -0.63 0.00 0.00 0.00 175.10 175.15 1wif s ILE 29 N -0.82 5.10 -0.19 2.22 -1.09 -0.53 -4.98 121.20 120.90 1wif s ILE 29 Ca 0.53 1.06 -0.06 0.00 -2.23 0.00 0.00 60.65 59.95 1wif s ILE 29 Cb -0.42 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.67 1wif s ILE 29 CO 0.53 0.20 0.39 0.00 -1.23 0.00 0.00 174.94 174.84 1wif s GLN 30 N 1.37 0.30 0.05 2.79 -2.07 -1.26 -0.14 119.66 120.70 1wif s GLN 30 Ca 0.27 0.93 -0.08 0.00 -1.82 0.00 0.00 55.36 54.67 1wif s GLN 30 Cb -0.16 0.18 -0.00 0.00 -1.09 0.00 0.00 33.01 31.94 1wif s GLN 30 CO 0.11 -0.31 0.16 -0.08 -1.32 0.00 0.00 175.29 173.85 1wif s THR 31 N 2.58 0.13 -0.32 3.63 -1.32 -1.13 -4.98 115.64 114.23 1wif s THR 31 Ca 0.01 -1.07 -0.14 0.00 -1.21 0.00 0.00 61.69 59.27 1wif s THR 31 Cb -0.12 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1wif s THR 31 CO -0.13 -0.59 0.31 -0.54 -2.21 0.00 0.00 174.62 171.46 1wif s LYS 32 N -3.00 3.66 0.02 7.08 3.01 -1.26 -2.16 119.74 127.09 1wif s LYS 32 Ca -0.02 -0.40 -0.12 0.00 -1.01 0.00 0.00 55.97 54.43 1wif s LYS 32 Cb 0.01 -3.76 -0.05 0.00 -1.01 0.00 0.00 37.83 33.01 1wif s LYS 32 CO -0.06 -0.42 0.37 -0.51 0.51 0.00 0.00 175.35 175.24 1wif s LEU 33 N 1.91 4.42 -0.79 3.17 1.43 -1.19 -4.92 118.68 122.71 1wif s LEU 33 Ca 0.10 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 1wif s LEU 33 Cb -0.17 -2.68 0.15 0.00 0.03 0.00 0.00 46.19 43.53 1wif s LEU 33 CO 0.11 0.28 0.88 -0.89 0.23 0.00 0.00 176.35 176.96 1wif s THR 34 N -1.20 5.04 0.06 5.49 2.01 -1.26 -3.78 115.64 122.01 1wif s THR 34 Ca 0.26 -1.69 -0.37 0.00 0.31 0.00 0.00 61.69 60.21 1wif s THR 34 Cb -0.15 -4.59 -0.19 0.00 0.01 0.00 0.00 72.50 67.58 1wif s THR 34 CO 0.14 -1.24 1.05 0.52 -0.69 0.00 0.00 174.62 174.41 1wif n VAL 35 N 5.01 0.36 -3.16 3.82 0.31 -1.20 -4.61 118.33 118.86 1wif n VAL 35 Ca 0.10 -0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 64.14 1wif n VAL 35 Cb 0.46 -0.23 0.04 0.00 -0.91 0.00 0.00 33.84 33.21 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 -0.05 1.86 0.26 2.92 0.00 -1.26 -0.26 107.32 110.79 1wif s GLY 36 Ca 0.84 -1.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 1wif s GLY 36 CO 0.55 -1.69 1.60 3.43 0.00 0.00 0.00 173.10 176.99 1wif h ASN 37 N 0.35 -0.56 0.45 1.64 2.35 -1.94 1.11 115.58 118.98 1wif h ASN 37 Ca -0.32 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1wif h ASN 37 Cb 1.29 0.45 0.00 0.00 0.05 0.00 0.00 38.32 40.11 1wif h ASN 37 CO 0.44 -0.25 -0.27 0.18 -1.65 0.00 0.00 177.43 175.88 1wif n LEU 38 N -5.46 0.57 -1.34 1.61 4.77 -1.26 -4.89 117.00 111.00 1wif n LEU 38 Ca 0.15 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1wif n LEU 38 Cb 0.50 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1wif n LEU 38 CO -0.02 0.12 -0.38 0.61 -1.33 0.00 0.00 177.39 176.39 1wif n GLY 39 N 1.40 -4.39 3.41 -0.72 0.00 0.38 -4.61 105.19 100.66 1wif n GLY 39 Ca 0.10 -0.76 -0.49 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.84 1.07 -1.97 0.99 -0.00 -1.26 -4.77 117.00 110.21 1wif n LEU 40 Ca 0.00 0.32 -0.06 0.00 -0.00 0.00 0.00 56.01 56.27 1wif n LEU 40 Cb 0.00 -1.06 0.30 0.00 -0.00 0.00 0.00 43.42 42.66 1wif n LEU 40 CO 0.00 -0.83 1.03 0.61 -0.00 0.00 0.00 177.39 178.21 1wif n GLY 41 N 6.78 3.73 1.09 1.47 0.00 -1.26 -4.95 105.19 112.05 1wif n GLY 41 Ca 0.54 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.21 -0.08 -3.81 0.99 -0.00 -1.26 -4.66 117.00 107.97 1wif n LEU 42 Ca 0.41 0.36 -0.42 0.00 -0.00 0.00 0.00 56.01 56.36 1wif n LEU 42 Cb 1.38 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 44.52 1wif n LEU 42 CO 0.43 -0.66 2.39 0.52 -0.00 0.00 0.00 177.39 180.07 1wif n VAL 43 N 0.38 3.80 -2.00 1.47 0.31 0.35 -4.89 118.33 117.74 1wif n VAL 43 Ca 0.06 -3.56 -0.31 0.00 -0.01 0.00 0.00 64.34 60.53 1wif n VAL 43 Cb 0.04 -2.51 0.01 0.00 -0.91 0.00 0.00 33.84 30.46 1wif n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wif s VAL 44 N 2.18 4.73 0.45 2.52 0.11 -1.26 -2.29 120.40 126.83 1wif s VAL 44 Ca 0.44 0.81 0.03 0.00 -2.93 0.00 0.00 61.98 60.33 1wif s VAL 44 Cb 0.12 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1wif s VAL 44 CO -0.05 -1.08 0.07 0.27 -3.33 0.00 0.00 175.10 170.98 1wif s ILE 45 N -3.09 0.85 -0.70 7.04 -4.36 -0.89 -4.79 121.20 115.27 1wif s ILE 45 Ca 0.54 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.81 1wif s ILE 45 Cb -0.11 -2.27 0.18 0.00 1.25 0.00 0.00 42.46 41.51 1wif s ILE 45 CO 0.51 0.00 0.62 -1.58 0.24 0.00 0.00 174.94 174.74 1wif s GLN 46 N -3.78 3.22 -0.49 0.37 -0.44 -1.26 -3.22 119.66 114.06 1wif s GLN 46 Ca 0.16 -2.22 0.03 0.00 -2.50 0.00 0.00 55.36 50.84 1wif s GLN 46 Cb 0.02 -4.27 0.13 0.00 -1.64 0.00 0.00 33.01 27.25 1wif s GLN 46 CO 0.10 -1.28 0.24 1.21 0.50 0.00 0.00 175.29 176.05 1wif s ASN 47 N 2.40 4.49 0.00 6.67 2.47 -1.25 -5.01 114.94 124.70 1wif s ASN 47 Ca 0.13 -2.83 0.00 0.00 0.42 0.00 0.00 52.86 50.58 1wif s ASN 47 Cb -0.18 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1wif s ASN 47 CO -0.05 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.67 1wif n GLY 48 N 3.37 -1.88 0.00 1.21 0.00 -1.26 -3.95 105.19 102.68 1wif n GLY 48 Ca 0.05 -1.44 0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 0.25 -4.94 1.61 -0.04 -1.26 -4.65 135.00 125.96 1wif n PRO 49 Ca 0.00 0.13 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 1wif n PRO 49 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.49 1.75 -0.13 0.54 2.02 -1.25 -4.01 117.35 113.78 1wif s TYR 50 Ca 0.15 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 1wif s TYR 50 Cb 0.10 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1wif s TYR 50 CO 0.22 -0.05 1.24 -0.51 -1.57 0.00 0.00 175.55 174.88 1wif s LEU 51 N -0.38 4.21 -0.23 -1.29 1.43 -1.26 -3.91 118.68 117.25 1wif s LEU 51 Ca 0.06 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 1wif s LEU 51 Cb -0.08 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1wif s LEU 51 CO -0.00 -0.70 -0.01 -1.10 0.23 0.00 0.00 176.35 174.76 1wif s GLN 52 N 3.08 3.39 0.31 1.70 -0.21 -1.20 -3.41 119.66 123.32 1wif s GLN 52 Ca 0.55 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 1wif s GLN 52 Cb -0.23 -3.10 -0.11 0.00 1.00 0.00 0.00 33.01 30.57 1wif s GLN 52 CO 0.17 -0.22 1.56 0.42 -2.12 0.00 0.00 175.29 175.10 1wif s ILE 53 N 1.50 2.11 -0.09 1.08 1.01 -1.25 -2.09 121.20 123.48 1wif s ILE 53 Ca 0.05 0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.92 1wif s ILE 53 Cb -0.15 -3.06 -0.16 0.00 0.01 0.00 0.00 42.46 39.10 1wif s ILE 53 CO -0.01 0.02 0.11 -0.24 0.00 0.00 0.00 174.94 174.81 1wif n SER 54 N 1.82 2.02 -3.62 3.58 2.88 -1.02 0.24 113.62 119.52 1wif n SER 54 Ca 0.06 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 1wif n SER 54 Cb 0.38 1.01 -0.07 0.00 -0.75 0.00 0.00 64.21 64.78 1wif n SER 54 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wif s HIS 55 N -2.45 -0.56 -0.13 0.66 5.65 -0.97 -4.79 115.29 112.69 1wif s HIS 55 Ca -0.06 1.30 -0.13 0.00 0.25 0.00 0.00 55.06 56.43 1wif s HIS 55 Cb 0.05 0.35 -0.05 0.00 -1.18 0.00 0.00 32.58 31.75 1wif s HIS 55 CO 0.51 -0.32 0.28 -0.51 -0.65 0.00 0.00 174.74 174.05 1wif s LEU 56 N -0.01 4.30 -0.40 8.88 1.43 -1.26 0.13 118.68 131.74 1wif s LEU 56 Ca 0.01 0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 1wif s LEU 56 Cb -0.04 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1wif s LEU 56 CO -0.02 0.18 1.83 -0.63 0.23 0.00 0.00 176.35 177.94 1wif s ILE 57 N 0.03 3.44 0.25 -0.59 1.09 -1.26 -4.81 121.20 119.35 1wif s ILE 57 Ca 0.17 0.41 -0.13 0.00 -1.10 0.00 0.00 60.65 60.00 1wif s ILE 57 Cb -0.13 -3.70 0.34 0.00 -1.06 0.00 0.00 42.46 37.91 1wif s ILE 57 CO 0.05 -0.52 1.57 -1.13 -0.10 0.00 0.00 174.94 174.81 1wif h ASN 58 N 13.57 -1.06 -0.72 3.58 -1.24 -1.95 0.12 115.58 127.88 1wif h ASN 58 Ca -0.31 0.29 -0.63 0.00 0.71 0.00 0.00 56.30 56.35 1wif h ASN 58 Cb 1.17 0.63 -0.09 0.00 0.73 0.00 0.00 38.32 40.77 1wif h ASN 58 CO 1.08 -0.30 2.21 0.29 -1.29 0.00 0.00 177.43 179.42 1wif n LYS 59 N -5.55 3.77 0.00 6.67 4.76 -1.26 -4.64 118.16 121.91 1wif n LYS 59 Ca 0.12 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 1wif n LYS 59 Cb 0.44 -2.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.09 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 2.16 4.52 0.08 0.72 0.00 0.03 -4.83 105.19 107.87 1wif n GLY 60 Ca 0.63 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 0.62 -0.24 4.61 0.00 -1.26 -3.94 120.51 117.30 1wif n ALA 61 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 1wif n ALA 61 Cb 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.91 0.31 -0.12 0.00 0.00 -1.92 0.93 119.26 117.54 1wif h ALA 62 Ca -0.10 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1wif h ALA 62 Cb 0.79 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wif h ALA 62 CO -0.06 -0.50 0.12 0.00 0.00 0.00 0.00 179.25 178.81 1wif h ALA 63 N 1.50 1.80 -0.00 0.00 0.00 -1.78 0.30 119.26 121.07 1wif h ALA 63 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wif h ALA 63 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wif h ALA 63 CO -0.75 -0.19 -0.09 0.45 0.00 0.00 0.00 179.25 178.68 1wif n SER 64 N -3.97 0.51 -4.55 0.00 2.88 0.31 -4.80 113.62 104.00 1wif n SER 64 Ca 0.00 -0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 56.51 1wif n SER 64 Cb 0.23 -0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.52 1wif n SER 64 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wif s ASP 65 N -2.38 4.45 -0.49 -3.46 2.15 0.11 -5.02 116.67 112.02 1wif s ASP 65 Ca 0.32 -0.08 0.03 0.00 0.43 0.00 0.00 52.55 53.25 1wif s ASP 65 Cb 0.20 -1.07 0.49 0.00 -0.30 0.00 0.00 42.92 42.25 1wif s ASP 65 CO 0.45 0.36 1.72 0.61 -0.17 0.00 0.00 175.17 178.14 1wif n GLY 66 N 2.25 5.68 0.00 2.66 0.00 -1.26 -4.37 105.19 110.15 1wif n GLY 66 Ca -0.18 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.93 0.00 -3.18 -0.61 -0.00 -1.26 -5.06 119.36 108.32 1wif n ILE 67 Ca 0.53 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 63.10 1wif n ILE 67 Cb 0.93 -0.02 0.01 0.00 -0.00 0.00 0.00 39.64 40.56 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 -3.28 3.50 0.03 1.39 2.01 -1.26 -4.90 118.68 116.17 1wif s LEU 68 Ca 0.00 -0.57 -0.18 0.00 0.01 0.00 0.00 54.13 53.39 1wif s LEU 68 Cb 0.00 -2.35 0.03 0.00 0.01 0.00 0.00 46.19 43.88 1wif s LEU 68 CO 0.00 -0.81 0.40 0.00 1.01 0.00 0.00 176.35 176.95 1wif s GLN 69 N -4.33 0.88 -1.11 1.70 -2.07 -1.26 -5.06 119.66 108.41 1wif s GLN 69 Ca 0.53 -0.33 -0.23 0.00 -1.82 0.00 0.00 55.36 53.52 1wif s GLN 69 Cb -0.08 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.13 1wif s GLN 69 CO 0.32 -0.29 1.93 -0.35 -1.32 0.00 0.00 175.29 175.58 1wif n PRO 70 N 0.63 1.57 0.00 9.60 -0.04 -1.26 -3.03 135.00 142.47 1wif n PRO 70 Ca -0.19 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 1wif n PRO 70 Cb 0.59 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 1wif n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wif n GLY 71 N 5.57 0.00 0.00 0.55 0.00 0.65 -4.43 105.19 107.53 1wif n GLY 71 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1wif n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wif n ASP 72 N 0.00 0.00 -3.37 1.61 5.75 -1.17 -4.74 116.55 114.64 1wif n ASP 72 Ca 0.00 -0.40 -0.25 0.00 -0.01 0.00 0.00 54.79 54.13 1wif n ASP 72 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1wif s VAL 73 N 0.89 0.13 0.48 2.12 1.01 -1.19 -3.77 120.40 120.07 1wif s VAL 73 Ca 0.00 -2.12 -0.22 0.00 0.00 0.00 0.00 61.98 59.64 1wif s VAL 73 Cb 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 1wif s VAL 73 CO 0.00 -1.03 0.80 0.18 0.00 0.00 0.00 175.10 175.05 1wif n LEU 74 N 3.32 1.85 -0.20 3.92 7.99 -1.22 -2.13 117.00 130.54 1wif n LEU 74 Ca 0.22 0.91 0.01 0.00 -0.01 0.00 0.00 56.01 57.14 1wif n LEU 74 Cb 0.45 -1.27 0.01 0.00 -0.11 0.00 0.00 43.42 42.50 1wif n LEU 74 CO 0.09 -2.17 0.29 -0.38 -1.51 0.00 0.00 177.39 173.72 1wif n ILE 75 N -1.02 0.22 0.00 -0.08 -0.00 0.35 -4.28 119.36 114.55 1wif n ILE 75 Ca 0.11 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 1wif n ILE 75 Cb 0.42 0.67 0.00 0.00 -0.00 0.00 0.00 39.64 40.73 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 -0.15 0.00 -4.50 4.38 3.41 -1.25 -4.27 113.62 111.24 1wif n SER 76 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 1wif n SER 76 Cb 0.57 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 4.28 -0.06 -3.33 1.01 -0.97 -4.00 120.40 117.33 1wif s VAL 77 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1wif s VAL 77 Cb 0.00 -4.65 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1wif s VAL 77 CO 0.00 -1.35 0.06 0.61 0.00 0.00 0.00 175.10 174.42 1wif n GLY 78 N 5.24 0.70 1.87 4.51 0.00 -1.20 -3.63 105.19 112.68 1wif n GLY 78 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.51 -0.60 -4.00 1.61 -0.00 -1.26 -4.88 115.22 104.59 1wif n HIS 79 Ca -0.01 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.86 1wif n HIS 79 Cb 0.51 -2.28 -0.15 0.00 -0.12 0.00 0.00 29.99 27.95 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 -1.95 2.65 -0.86 1.57 0.00 -1.24 -5.04 121.76 116.89 1wif s ALA 80 Ca 0.00 -2.23 -0.20 0.00 0.00 0.00 0.00 51.96 49.53 1wif s ALA 80 Cb 0.00 -1.83 -0.21 0.00 0.00 0.00 0.00 23.12 21.09 1wif s ALA 80 CO 0.00 -1.56 2.33 -1.71 0.00 0.00 0.00 175.76 174.83 1wif n ASN 81 N 4.37 0.68 -0.46 0.00 2.85 -1.26 -2.30 115.26 119.14 1wif n ASN 81 Ca -0.01 -1.11 0.04 0.00 -0.11 0.00 0.00 54.58 53.39 1wif n ASN 81 Cb 0.42 -1.26 0.11 0.00 1.24 0.00 0.00 39.78 40.28 1wif n ASN 81 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1wif n VAL 82 N 7.63 0.34 -0.21 3.44 0.24 -1.26 -4.30 118.33 124.22 1wif n VAL 82 Ca 0.54 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1wif n VAL 82 Cb 0.33 0.14 0.07 0.00 -1.47 0.00 0.00 33.84 32.91 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 1.40 -0.49 -3.35 1.34 6.46 -1.77 -1.13 115.31 117.77 1wif h LEU 83 Ca 0.00 0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1wif h LEU 83 Cb 0.34 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1wif h LEU 83 CO 0.01 -0.18 0.02 0.61 -0.62 0.00 0.00 178.44 178.27 1wif n GLY 84 N -1.41 4.00 3.81 3.75 0.00 -1.26 -4.01 105.19 110.07 1wif n GLY 84 Ca 0.08 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.89 2.97 0.04 1.61 1.51 -0.43 -5.01 117.35 115.14 1wif s TYR 85 Ca 0.45 1.46 0.06 0.00 -1.01 0.00 0.00 57.07 58.04 1wif s TYR 85 Cb 0.37 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1wif s TYR 85 CO 0.09 -1.37 -0.15 0.95 -1.11 0.00 0.00 175.55 173.96 1wif s THR 86 N -2.97 3.02 0.27 -0.71 -4.23 -1.26 -4.58 115.64 105.19 1wif s THR 86 Ca 0.59 -1.10 0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1wif s THR 86 Cb -0.15 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.67 1wif s THR 86 CO 0.54 0.33 1.13 -0.11 -0.54 0.00 0.00 174.62 175.98 1wif n LEU 87 N 1.49 0.23 0.18 4.79 7.94 -1.26 0.36 117.00 130.73 1wif n LEU 87 Ca -0.16 1.16 -0.08 0.00 -1.11 0.00 0.00 56.01 55.82 1wif n LEU 87 Cb 0.52 -0.57 -0.04 0.00 0.53 0.00 0.00 43.42 43.87 1wif n LEU 87 CO 0.28 -1.29 0.22 0.03 -1.11 0.00 0.00 177.39 175.51 1wif h ARG 88 N 0.00 -0.51 -0.07 1.96 2.47 -2.00 -2.32 114.38 113.92 1wif h ARG 88 Ca 0.61 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 59.39 1wif h ARG 88 Cb 1.69 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 30.12 1wif h ARG 88 CO -0.52 -0.34 0.24 0.93 0.56 0.00 0.00 179.97 180.84 1wif h GLU 89 N -1.11 0.00 0.00 0.04 5.08 -0.59 -1.42 114.58 116.58 1wif h GLU 89 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wif h GLU 89 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wif h GLU 89 CO 0.09 0.00 -0.00 0.35 -1.00 0.00 0.00 179.01 178.45 1wif h PHE 90 N 0.00 -0.01 -0.57 4.33 3.57 -0.08 -2.18 116.94 122.00 1wif h PHE 90 Ca 0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1wif h PHE 90 Cb 0.50 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1wif h PHE 90 CO 0.00 0.85 0.36 -0.07 -2.23 0.00 0.00 178.31 177.22 1wif h LEU 91 N -0.90 0.60 -1.02 0.59 -0.00 -0.70 -1.60 115.31 112.28 1wif h LEU 91 Ca -0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.77 1wif h LEU 91 Cb 0.86 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 1wif h LEU 91 CO 0.00 0.43 -0.41 0.07 -0.00 0.00 0.00 178.44 178.53 1wif h LYS 92 N 0.72 0.16 0.22 1.13 5.09 -1.47 -2.11 116.57 120.30 1wif h LYS 92 Ca 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.87 1wif h LYS 92 Cb -0.03 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 1wif h LYS 92 CO -0.07 0.55 -0.10 1.25 -2.09 0.00 0.00 179.45 178.98 1wif h LEU 93 N 0.14 -0.24 -2.18 7.07 5.85 -0.69 -3.09 115.31 122.16 1wif h LEU 93 Ca 0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1wif h LEU 93 Cb 0.78 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1wif h LEU 93 CO 0.06 -0.14 0.26 -0.07 -0.34 0.00 0.00 178.44 178.21 1wif h LEU 94 N -0.36 0.00 -0.54 2.25 3.38 -1.40 0.21 115.31 118.85 1wif h LEU 94 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wif h LEU 94 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wif h LEU 94 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1wif n GLN 95 N -3.65 0.08 -0.02 1.13 1.13 -0.79 -0.77 117.38 114.48 1wif n GLN 95 Ca 0.02 0.47 0.12 0.00 -1.94 0.00 0.00 57.00 55.67 1wif n GLN 95 Cb 0.39 -1.70 0.23 0.00 0.11 0.00 0.00 30.24 29.26 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wif n ASN 96 N -1.86 2.63 -4.81 1.08 3.02 0.72 -4.93 115.26 111.12 1wif n ASN 96 Ca 0.01 -1.87 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 1wif n ASN 96 Cb 0.10 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.94 4.62 0.48 2.41 -1.09 0.05 -5.08 121.20 120.65 1wif s ILE 97 Ca 0.32 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 60.02 1wif s ILE 97 Cb 0.20 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1wif s ILE 97 CO 0.31 0.39 0.72 -0.89 -1.23 0.00 0.00 174.94 174.24 1wif s THR 98 N -1.30 3.92 0.38 2.92 2.01 -1.26 -5.04 115.64 117.26 1wif s THR 98 Ca 0.36 -0.38 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 1wif s THR 98 Cb -0.19 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1wif s THR 98 CO 0.21 -0.37 1.16 -0.63 -0.69 0.00 0.00 174.62 174.31 1wif s ILE 99 N -2.66 3.20 -0.67 1.82 1.01 -1.26 -3.85 121.20 118.79 1wif s ILE 99 Ca 0.50 1.04 -0.01 0.00 0.00 0.00 0.00 60.65 62.17 1wif s ILE 99 Cb -0.10 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1wif s ILE 99 CO 0.40 0.12 0.57 0.61 0.00 0.00 0.00 174.94 176.63 1wif n GLY 100 N 0.69 -0.10 3.22 6.18 0.00 0.65 -4.98 105.19 110.85 1wif n GLY 100 Ca 0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.21 1.85 -0.57 2.61 2.01 -1.25 -4.90 115.64 112.18 1wif s THR 101 Ca 0.07 -0.95 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 1wif s THR 101 Cb -0.01 -1.57 0.06 0.00 0.01 0.00 0.00 72.50 70.99 1wif s THR 101 CO 0.42 0.52 0.84 -0.69 -0.69 0.00 0.00 174.62 175.02 1wif s VAL 102 N -0.11 4.54 0.09 3.82 1.01 -1.26 -3.27 120.40 125.22 1wif s VAL 102 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1wif s VAL 102 Cb -0.13 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wif s VAL 102 CO 0.03 -1.13 -0.13 -0.76 0.00 0.00 0.00 175.10 173.11 1wif s LEU 103 N 3.52 2.88 -0.42 3.92 2.01 -1.25 -5.01 118.68 124.34 1wif s LEU 103 Ca 0.22 -0.42 -0.17 0.00 0.01 0.00 0.00 54.13 53.77 1wif s LEU 103 Cb -0.17 -1.70 0.02 0.00 0.01 0.00 0.00 46.19 44.36 1wif s LEU 103 CO 0.14 0.20 0.45 -1.58 1.01 0.00 0.00 176.35 176.56 1wif s GLN 104 N -1.99 3.14 -0.48 1.70 0.74 -1.26 -3.14 119.66 118.37 1wif s GLN 104 Ca 0.19 -0.70 -0.14 0.00 0.05 0.00 0.00 55.36 54.75 1wif s GLN 104 Cb -0.11 -3.95 0.09 0.00 1.10 0.00 0.00 33.01 30.14 1wif s GLN 104 CO 0.11 -0.84 0.40 0.42 -0.55 0.00 0.00 175.29 174.83 1wif s ILE 105 N 2.18 5.02 -0.27 -2.34 -1.09 -0.92 -3.24 121.20 120.54 1wif s ILE 105 Ca 0.13 -1.28 -0.10 0.00 -2.23 0.00 0.00 60.65 57.16 1wif s ILE 105 Cb -0.17 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1wif s ILE 105 CO 0.14 -0.67 0.17 -0.75 -1.23 0.00 0.00 174.94 172.60 1wif s LYS 106 N 1.58 3.94 0.14 2.79 2.20 -1.26 -2.84 119.74 126.29 1wif s LYS 106 Ca 0.04 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1wif s LYS 106 Cb -0.26 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1wif s LYS 106 CO 0.04 -0.13 -0.10 0.00 -0.36 0.00 0.00 175.35 174.81 1wif s ALA 107 N 1.59 1.39 0.04 3.13 0.00 0.80 0.13 121.76 128.86 1wif s ALA 107 Ca 0.07 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1wif s ALA 107 Cb -0.15 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1wif s ALA 107 CO 0.09 -0.10 0.15 0.71 0.00 0.00 0.00 175.76 176.61 1wif s TYR 108 N -3.26 3.39 -0.17 0.00 2.02 -0.91 -1.46 117.35 116.97 1wif s TYR 108 Ca 0.15 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 57.14 1wif s TYR 108 Cb 0.02 -1.73 -0.15 0.00 -0.40 0.00 0.00 41.96 39.70 1wif s TYR 108 CO 0.00 0.57 -0.06 0.54 -1.57 0.00 0.00 175.55 175.04 1wif n ARG 109 N 0.59 1.04 -1.79 -0.62 5.12 -1.26 -3.17 116.66 116.57 1wif n ARG 109 Ca -0.08 0.05 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 1wif n ARG 109 Cb 0.52 -1.38 0.04 0.00 -1.16 0.00 0.00 32.46 30.48 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 2.34 6.22 0.56 -0.13 0.00 -1.26 -4.74 105.19 108.19 1wif n GLY 110 Ca -0.29 -2.55 -0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.78 0.00 -3.92 1.61 7.35 -1.26 -5.01 117.46 115.44 1wif n PHE 111 Ca 0.51 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.84 1wif n PHE 111 Cb 0.86 -0.01 -0.13 0.00 0.35 0.00 0.00 39.48 40.55 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 -5.09 3.22 0.58 -2.13 2.96 -1.26 -5.10 118.68 111.86 1wif s LEU 112 Ca -0.00 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 1wif s LEU 112 Cb 0.00 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1wif s LEU 112 CO 0.01 0.01 1.03 -1.61 -1.32 0.00 0.00 176.35 174.47 1wif s GLU 113 N 1.34 3.50 0.06 1.98 0.41 -1.26 -4.89 118.70 119.84 1wif s GLU 113 Ca 0.04 1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 55.35 1wif s GLU 113 Cb -0.15 -2.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.09 1wif s GLU 113 CO 0.01 -0.65 0.97 0.42 -0.49 0.00 0.00 175.26 175.52 1wif s ILE 114 N -2.66 4.67 0.03 -1.63 1.01 -1.26 -5.01 121.20 116.35 1wif s ILE 114 Ca 0.60 2.06 -0.30 0.00 0.00 0.00 0.00 60.65 63.01 1wif s ILE 114 Cb -0.13 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 1wif s ILE 114 CO 0.39 0.25 1.42 -2.16 0.00 0.00 0.00 174.94 174.84 1wif s PRO 115 N 0.45 4.28 0.15 2.79 0.04 -1.26 -4.93 135.00 136.52 1wif s PRO 115 Ca 0.49 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.42 1wif s PRO 115 Cb -0.22 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1wif s PRO 115 CO 0.29 -0.56 1.63 1.96 0.04 0.00 0.00 177.00 180.37 1wif h GLN 116 N 7.65 0.81 -1.87 4.56 1.08 -1.93 -2.81 115.11 122.60 1wif h GLN 116 Ca -0.39 -0.22 0.56 0.00 -1.45 0.00 0.00 58.65 57.15 1wif h GLN 116 Cb 1.19 -0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 28.43 1wif h GLN 116 CO 0.90 0.81 1.33 -0.85 -0.95 0.00 0.00 178.83 180.06 1wif n GLU 117 N -4.43 -0.01 0.00 1.46 0.28 -1.26 -1.45 120.64 115.23 1wif n GLU 117 Ca 0.01 1.12 0.00 0.00 -0.16 0.00 0.00 57.16 58.13 1wif n GLU 117 Cb 0.25 -2.50 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1wif n TRP 118 N -4.07 0.00 -1.50 -1.84 7.02 -1.06 -4.85 117.44 111.14 1wif n TRP 118 Ca 0.44 0.00 -0.51 0.00 -1.02 0.00 0.00 57.50 56.41 1wif n TRP 118 Cb 1.94 -0.46 -0.04 0.00 -2.42 0.00 0.00 31.31 30.32 1wif n TRP 118 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1wif n GLN 119 N -1.89 0.47 -0.05 -0.99 1.13 -0.53 -4.85 117.38 110.68 1wif n GLN 119 Ca 0.00 0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 1wif n GLN 119 Cb 0.00 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 1wif n GLN 119 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1wif h ASP 120 N 2.29 -1.01 -4.02 1.08 3.32 -1.89 -3.41 116.42 112.79 1wif h ASP 120 Ca -0.39 0.16 -0.53 0.00 0.02 0.00 0.00 57.03 56.29 1wif h ASP 120 Cb 1.40 0.45 0.10 0.00 0.22 0.00 0.00 39.33 41.50 1wif h ASP 120 CO 0.63 -0.34 0.57 -0.44 -1.72 0.00 0.00 179.24 177.95 1wif s SER 121 N -4.99 5.75 0.00 6.45 0.01 -1.26 -4.98 113.70 114.69 1wif s SER 121 Ca -0.15 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1wif s SER 121 Cb 0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1wif s SER 121 CO 0.67 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1wif n GLY 122 N 0.61 -1.59 3.65 3.44 0.00 -1.26 -4.89 105.19 105.15 1wif n GLY 122 Ca 0.08 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 4.08 -0.12 1.61 0.04 -1.26 -4.93 135.00 134.42 1wif s PRO 123 Ca 0.00 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1wif s PRO 123 Cb 0.00 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.45 1wif s PRO 123 CO 0.00 -0.94 0.40 1.03 0.04 0.00 0.00 177.00 177.53 1wif h SER 124 N 9.56 0.00 0.00 6.66 0.87 -2.03 -3.47 113.55 125.14 1wif h SER 124 Ca -0.35 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1wif h SER 124 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1wif h SER 124 CO 0.97 0.77 0.00 -1.20 -0.53 0.00 0.00 176.83 176.84 1wif n SER 125 N -4.69 0.00 0.00 6.23 7.64 -1.26 -5.34 113.62 116.20 1wif n SER 125 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1wif n SER 125 Cb 0.26 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64