#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 -0.03 0.50 1.61 0.15 -1.26 -5.19 113.70 109.49 1wif s SER 2 Ca 0.00 -1.02 0.05 0.00 0.70 0.00 0.00 55.95 55.68 1wif s SER 2 Cb 0.00 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1wif s SER 2 CO 0.00 -1.56 0.25 -0.55 1.20 0.00 0.00 173.24 172.58 1wif s SER 3 N -3.09 4.47 0.30 5.45 0.15 -1.26 -5.16 113.70 114.57 1wif s SER 3 Ca 0.16 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.53 1wif s SER 3 Cb -0.05 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1wif s SER 3 CO 0.10 -0.91 0.34 0.61 1.20 0.00 0.00 173.24 174.57 1wif n GLY 4 N -1.52 2.66 0.00 9.45 0.00 -1.26 -5.17 105.19 109.35 1wif n GLY 4 Ca -0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1wif n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wif n SER 5 N -1.77 0.00 -4.70 1.61 2.88 -1.26 -5.15 113.62 105.23 1wif n SER 5 Ca 0.04 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.23 1wif n SER 5 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1wif n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wif s SER 6 N 2.00 5.75 0.00 -3.46 0.01 -1.26 -4.46 113.70 112.28 1wif s SER 6 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1wif s SER 6 Cb 0.00 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1wif s SER 6 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1wif n GLY 7 N 2.92 2.14 3.77 3.44 0.00 -1.20 -4.85 105.19 111.41 1wif n GLY 7 Ca -0.18 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 0.12 -2.70 1.61 2.88 -1.26 -4.73 113.62 109.54 1wif n SER 8 Ca 0.00 -0.91 -0.03 0.00 -1.33 0.00 0.00 58.87 56.60 1wif n SER 8 Cb 0.00 -1.14 0.11 0.00 -0.75 0.00 0.00 64.21 62.43 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 -3.42 1.37 -3.60 -1.46 0.00 -1.26 -5.13 118.16 104.65 1wif n LYS 9 Ca -0.14 -1.71 -0.07 0.00 0.00 0.00 0.00 58.31 56.39 1wif n LYS 9 Cb 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 35.03 35.45 1wif n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1wif s ASN 10 N -1.56 -0.22 -0.73 3.14 2.47 -1.26 -4.02 114.94 112.76 1wif s ASN 10 Ca 0.15 0.22 -0.02 0.00 0.42 0.00 0.00 52.86 53.62 1wif s ASN 10 Cb 0.42 0.19 0.29 0.00 -1.45 0.00 0.00 41.25 40.71 1wif s ASN 10 CO -0.10 -0.23 2.20 -1.84 -3.72 0.00 0.00 177.10 173.40 1wif n GLU 11 N 0.53 2.64 -3.09 0.43 0.28 -1.26 -4.93 120.64 115.25 1wif n GLU 11 Ca -0.05 -3.19 -0.10 0.00 -0.16 0.00 0.00 57.16 53.66 1wif n GLU 11 Cb 0.58 -2.23 -0.04 0.00 1.43 0.00 0.00 31.44 31.19 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 -0.24 0.37 0.07 3.44 4.76 -1.26 -5.02 118.16 120.28 1wif n LYS 12 Ca 0.53 -1.61 0.10 0.00 -2.87 0.00 0.00 58.31 54.47 1wif n LYS 12 Cb 0.35 1.18 0.43 0.00 -1.84 0.00 0.00 35.03 35.15 1wif n LYS 12 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wif n GLU 13 N -0.34 0.12 -2.48 1.97 4.07 -1.26 -4.77 120.64 117.94 1wif n GLU 13 Ca 0.02 0.31 -0.36 0.00 -0.06 0.00 0.00 57.16 57.06 1wif n GLU 13 Cb 0.29 -1.71 -0.03 0.00 -0.06 0.00 0.00 31.44 29.93 1wif n GLU 13 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1wif s GLN 14 N -3.16 4.05 0.00 5.31 1.11 -1.26 -4.72 119.66 120.99 1wif s GLN 14 Ca 0.07 1.55 0.00 0.00 0.01 0.00 0.00 55.36 56.99 1wif s GLN 14 Cb 0.10 -2.48 0.00 0.00 -1.01 0.00 0.00 33.01 29.63 1wif s GLN 14 CO 0.38 -0.25 0.00 1.47 0.01 0.00 0.00 175.29 176.90 1wif n LEU 15 N -0.23 0.00 -3.76 2.90 -0.00 -1.26 -4.54 117.00 110.10 1wif n LEU 15 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1wif n LEU 15 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1wif n LEU 15 CO 0.45 0.00 0.97 -0.55 -0.00 0.00 0.00 177.39 178.26 1wif s SER 16 N 0.00 -0.05 0.43 1.45 0.15 -1.26 -3.25 113.70 111.16 1wif s SER 16 Ca 0.00 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.41 1wif s SER 16 Cb 0.00 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1wif s SER 16 CO 0.00 -0.51 0.60 -0.75 1.20 0.00 0.00 173.24 173.79 1wif s LYS 17 N -2.44 2.92 -0.33 5.44 2.20 -1.26 -5.09 119.74 121.18 1wif s LYS 17 Ca 0.18 -0.90 -0.06 0.00 -0.36 0.00 0.00 55.97 54.83 1wif s LYS 17 Cb 0.02 -2.68 0.19 0.00 -1.51 0.00 0.00 37.83 33.84 1wif s LYS 17 CO -0.01 -0.26 0.95 0.00 -0.36 0.00 0.00 175.35 175.68 1wif s ALA 18 N -2.43 -3.89 0.51 3.13 0.00 -1.26 -5.17 121.76 112.66 1wif s ALA 18 Ca 0.51 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1wif s ALA 18 Cb -0.10 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1wif s ALA 18 CO 0.35 -2.31 0.49 0.21 0.00 0.00 0.00 175.76 174.49 1wif s LYS 19 N 2.24 2.35 1.22 0.00 2.20 -1.26 -5.13 119.74 121.37 1wif s LYS 19 Ca 0.18 -1.80 -0.20 0.00 -0.36 0.00 0.00 55.97 53.79 1wif s LYS 19 Cb -0.00 -2.30 0.30 0.00 -1.51 0.00 0.00 37.83 34.32 1wif s LYS 19 CO -0.16 -0.55 1.14 0.00 -0.36 0.00 0.00 175.35 175.41 1wif s ALA 20 N -2.66 0.70 -0.29 3.13 0.00 -1.26 -5.04 121.76 116.34 1wif s ALA 20 Ca 0.44 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1wif s ALA 20 Cb -0.03 -2.82 0.27 0.00 0.00 0.00 0.00 23.12 20.53 1wif s ALA 20 CO 0.27 -3.64 1.22 0.43 0.00 0.00 0.00 175.76 174.04 1wif n SER 21 N -4.79 -1.28 -4.85 0.00 7.64 -1.26 -5.15 113.62 103.93 1wif n SER 21 Ca 0.15 -1.97 -0.32 0.00 1.01 0.00 0.00 58.87 57.75 1wif n SER 21 Cb 0.60 0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 64.49 1wif n SER 21 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wif s VAL 22 N 0.11 4.60 0.00 0.44 1.01 -1.26 -5.01 120.40 120.29 1wif s VAL 22 Ca 0.10 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1wif s VAL 22 Cb 0.28 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wif s VAL 22 CO -0.07 -0.64 0.00 -1.20 0.00 0.00 0.00 175.10 173.19 1wif n SER 23 N -1.49 0.00 -2.23 3.32 7.64 -1.26 -5.04 113.62 114.56 1wif n SER 23 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 1wif n SER 23 Cb 0.54 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.81 1wif n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wif n SER 24 N 0.00 7.36 -4.59 6.43 7.64 -1.26 -4.95 113.62 124.26 1wif n SER 24 Ca 0.00 -3.63 -0.42 0.00 1.01 0.00 0.00 58.87 55.83 1wif n SER 24 Cb 0.00 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wif s LEU 25 N -3.39 3.47 -0.24 -3.43 1.43 -1.26 -4.96 118.68 110.29 1wif s LEU 25 Ca 0.58 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1wif s LEU 25 Cb 0.45 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 43.49 1wif s LEU 25 CO -0.01 -1.73 -0.04 0.20 0.23 0.00 0.00 176.35 175.00 1wif s ASN 26 N 5.28 3.93 -0.11 2.29 0.02 -1.26 -5.00 114.94 120.09 1wif s ASN 26 Ca 0.65 -1.25 0.01 0.00 -1.02 0.00 0.00 52.86 51.24 1wif s ASN 26 Cb -0.15 -1.20 -0.02 0.00 0.02 0.00 0.00 41.25 39.91 1wif s ASN 26 CO 0.29 -0.25 -0.15 -0.75 0.02 0.00 0.00 177.10 176.26 1wif s LYS 27 N 1.37 3.13 -0.07 -0.60 2.20 -1.26 -5.10 119.74 119.41 1wif s LYS 27 Ca -0.04 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.72 1wif s LYS 27 Cb -0.19 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 1wif s LYS 27 CO -0.07 0.31 0.33 0.08 -0.36 0.00 0.00 175.35 175.64 1wif s VAL 28 N 0.08 5.20 -0.11 4.02 1.01 -1.26 -3.26 120.40 126.08 1wif s VAL 28 Ca -0.06 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1wif s VAL 28 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1wif s VAL 28 CO 0.05 0.53 0.05 -0.63 0.00 0.00 0.00 175.10 175.10 1wif s ILE 29 N -0.63 4.76 -0.20 2.22 -1.09 0.29 -5.00 121.20 121.55 1wif s ILE 29 Ca 0.20 -0.07 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 1wif s ILE 29 Cb -0.15 -3.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1wif s ILE 29 CO 0.09 0.58 0.43 0.00 -1.23 0.00 0.00 174.94 174.81 1wif s GLN 30 N -0.69 0.33 0.05 2.79 -2.07 -1.26 -0.23 119.66 118.58 1wif s GLN 30 Ca 0.12 1.04 -0.06 0.00 -1.82 0.00 0.00 55.36 54.63 1wif s GLN 30 Cb -0.12 0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 32.12 1wif s GLN 30 CO 0.02 -0.26 0.12 -0.08 -1.32 0.00 0.00 175.29 173.77 1wif s THR 31 N 2.62 0.13 -0.37 3.63 -1.32 -1.12 -4.98 115.64 114.24 1wif s THR 31 Ca -0.01 -1.11 -0.16 0.00 -1.21 0.00 0.00 61.69 59.19 1wif s THR 31 Cb -0.12 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1wif s THR 31 CO -0.13 -0.61 0.40 -0.54 -2.21 0.00 0.00 174.62 171.53 1wif s LYS 32 N -2.84 3.41 -0.10 7.08 3.01 -1.26 -2.51 119.74 126.53 1wif s LYS 32 Ca -0.03 -0.51 -0.16 0.00 -1.01 0.00 0.00 55.97 54.26 1wif s LYS 32 Cb 0.00 -3.86 -0.05 0.00 -1.01 0.00 0.00 37.83 32.91 1wif s LYS 32 CO -0.06 -0.65 0.41 -0.51 0.51 0.00 0.00 175.35 175.05 1wif s LEU 33 N 2.10 4.31 -0.87 3.17 1.43 -1.24 -4.93 118.68 122.66 1wif s LEU 33 Ca 0.13 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 1wif s LEU 33 Cb -0.17 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.57 1wif s LEU 33 CO 0.12 0.11 1.18 -0.89 0.23 0.00 0.00 176.35 177.10 1wif s THR 34 N 0.17 4.35 0.37 5.49 2.01 -1.26 -4.15 115.64 122.62 1wif s THR 34 Ca 0.23 -0.92 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1wif s THR 34 Cb -0.15 -4.83 -0.16 0.00 0.01 0.00 0.00 72.50 67.37 1wif s THR 34 CO 0.09 -1.63 0.17 0.52 -0.69 0.00 0.00 174.62 173.09 1wif n VAL 35 N 6.01 0.90 -4.32 3.82 0.31 -1.24 -4.47 118.33 119.34 1wif n VAL 35 Ca 0.18 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.73 1wif n VAL 35 Cb 0.49 -0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.00 2.55 0.38 2.92 0.00 -1.26 -1.51 107.32 109.41 1wif s GLY 36 Ca 0.60 -1.52 0.19 0.00 0.00 0.00 0.00 44.72 43.99 1wif s GLY 36 CO 0.62 -2.02 1.70 3.43 0.00 0.00 0.00 173.10 176.83 1wif h ASN 37 N 1.32 0.44 0.11 1.64 2.35 -1.94 1.01 115.58 120.51 1wif h ASN 37 Ca -0.42 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1wif h ASN 37 Cb 1.28 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1wif h ASN 37 CO 0.70 -0.03 -0.70 0.18 -1.65 0.00 0.00 177.43 175.93 1wif n LEU 38 N -4.77 1.18 -1.41 1.61 4.77 -1.26 -4.94 117.00 112.17 1wif n LEU 38 Ca 0.30 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1wif n LEU 38 Cb 1.02 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1wif n LEU 38 CO 0.19 0.25 -0.40 0.61 -1.33 0.00 0.00 177.39 176.71 1wif n GLY 39 N 1.46 -4.45 3.42 -0.72 0.00 0.35 -4.59 105.19 100.66 1wif n GLY 39 Ca 0.06 -0.75 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.93 1.04 -1.87 0.99 -0.00 -1.26 -4.77 117.00 110.19 1wif n LEU 40 Ca 0.00 0.29 -0.02 0.00 -0.00 0.00 0.00 56.01 56.28 1wif n LEU 40 Cb 0.01 -1.06 0.31 0.00 -0.00 0.00 0.00 43.42 42.67 1wif n LEU 40 CO 0.00 -0.84 0.94 0.61 -0.00 0.00 0.00 177.39 178.10 1wif n GLY 41 N 6.74 3.27 1.44 1.47 0.00 -1.26 -4.98 105.19 111.86 1wif n GLY 41 Ca 0.54 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 0.11 -0.08 -3.89 0.99 -0.00 -1.26 -4.60 117.00 108.27 1wif n LEU 42 Ca 0.34 0.48 -0.42 0.00 -0.00 0.00 0.00 56.01 56.40 1wif n LEU 42 Cb 1.25 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 44.29 1wif n LEU 42 CO 0.37 -0.85 2.55 0.52 -0.00 0.00 0.00 177.39 179.98 1wif n VAL 43 N 0.53 3.55 -2.80 1.47 0.31 0.45 -4.89 118.33 116.96 1wif n VAL 43 Ca 0.08 -3.23 -0.33 0.00 -0.01 0.00 0.00 64.34 60.85 1wif n VAL 43 Cb 0.04 -2.56 -0.06 0.00 -0.91 0.00 0.00 33.84 30.35 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 3.36 4.46 0.54 2.52 0.11 -1.26 -2.40 120.40 127.73 1wif s VAL 44 Ca 0.48 1.36 0.03 0.00 -2.93 0.00 0.00 61.98 60.92 1wif s VAL 44 Cb 0.12 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.37 1wif s VAL 44 CO -0.06 -0.36 0.19 0.27 -3.33 0.00 0.00 175.10 171.81 1wif s ILE 45 N -2.23 1.29 -0.74 7.04 -4.36 -1.11 -4.84 121.20 116.26 1wif s ILE 45 Ca 0.60 -1.77 -0.06 0.00 -0.26 0.00 0.00 60.65 59.16 1wif s ILE 45 Cb -0.09 -2.06 0.19 0.00 1.25 0.00 0.00 42.46 41.75 1wif s ILE 45 CO 0.17 0.00 0.60 -1.58 0.24 0.00 0.00 174.94 174.37 1wif s GLN 46 N -4.08 3.03 -0.57 0.37 -0.44 -1.26 -3.86 119.66 112.85 1wif s GLN 46 Ca 0.16 -2.63 0.04 0.00 -2.50 0.00 0.00 55.36 50.43 1wif s GLN 46 Cb -0.01 -4.00 0.14 0.00 -1.64 0.00 0.00 33.01 27.50 1wif s GLN 46 CO 0.10 -1.22 0.33 0.54 0.50 0.00 0.00 175.29 175.53 1wif s ASN 47 N 1.04 4.49 0.00 6.67 4.22 -1.26 -5.05 114.94 125.05 1wif s ASN 47 Ca 0.19 -3.21 0.00 0.00 -2.14 0.00 0.00 52.86 47.70 1wif s ASN 47 Cb -0.15 -1.65 0.00 0.00 1.28 0.00 0.00 41.25 40.72 1wif s ASN 47 CO -0.06 -0.20 0.00 0.61 -2.04 0.00 0.00 177.10 175.41 1wif n GLY 48 N 2.86 -2.33 0.00 0.45 0.00 -1.26 -4.24 105.19 100.67 1wif n GLY 48 Ca 0.09 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.14 0.49 -4.47 1.61 -0.04 -1.26 -4.67 135.00 126.52 1wif n PRO 49 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wif n PRO 49 Cb 0.00 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.38 -0.24 0.54 2.02 -1.25 -3.85 117.35 113.95 1wif s TYR 50 Ca 0.18 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.32 1wif s TYR 50 Cb 0.08 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1wif s TYR 50 CO 0.14 0.04 0.72 -0.51 -1.57 0.00 0.00 175.55 174.37 1wif s LEU 51 N -1.02 4.08 -0.19 -1.29 2.01 -1.26 -4.05 118.68 116.97 1wif s LEU 51 Ca 0.04 0.88 -0.04 0.00 0.01 0.00 0.00 54.13 55.01 1wif s LEU 51 Cb -0.08 -3.01 -0.02 0.00 0.01 0.00 0.00 46.19 43.09 1wif s LEU 51 CO 0.01 -0.42 -0.02 -1.10 1.01 0.00 0.00 176.35 175.83 1wif s GLN 52 N 2.54 3.58 -0.11 1.70 -0.21 -1.25 -3.15 119.66 122.76 1wif s GLN 52 Ca 0.31 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 1wif s GLN 52 Cb -0.15 -3.00 -0.06 0.00 1.00 0.00 0.00 33.01 30.80 1wif s GLN 52 CO 0.08 0.06 1.87 0.42 -2.12 0.00 0.00 175.29 175.60 1wif s ILE 53 N 0.86 3.30 -0.10 1.08 1.01 -1.11 -2.73 121.20 123.51 1wif s ILE 53 Ca -0.00 0.35 0.16 0.00 0.00 0.00 0.00 60.65 61.15 1wif s ILE 53 Cb -0.14 -3.29 -0.18 0.00 0.01 0.00 0.00 42.46 38.86 1wif s ILE 53 CO 0.02 -0.10 0.72 -0.24 0.00 0.00 0.00 174.94 175.34 1wif n SER 54 N 8.69 0.80 -3.57 3.58 2.88 -1.11 0.32 113.62 125.21 1wif n SER 54 Ca 0.21 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1wif n SER 54 Cb 0.43 0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.80 -0.49 -0.15 0.66 5.65 -1.01 -4.85 115.29 112.30 1wif s HIS 55 Ca -0.04 0.92 -0.05 0.00 0.25 0.00 0.00 55.06 56.13 1wif s HIS 55 Cb 0.08 0.42 -0.04 0.00 -1.18 0.00 0.00 32.58 31.86 1wif s HIS 55 CO 0.82 -0.41 0.04 -0.51 -0.65 0.00 0.00 174.74 174.03 1wif s LEU 56 N -0.89 3.72 -0.42 8.88 1.43 -1.26 0.17 118.68 130.31 1wif s LEU 56 Ca -0.04 0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 1wif s LEU 56 Cb -0.01 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1wif s LEU 56 CO 0.03 0.25 1.62 -0.63 0.23 0.00 0.00 176.35 177.85 1wif s ILE 57 N -0.10 3.65 0.20 -0.59 1.09 -1.26 -4.85 121.20 119.34 1wif s ILE 57 Ca 0.06 0.62 -0.06 0.00 -1.10 0.00 0.00 60.65 60.17 1wif s ILE 57 Cb -0.12 -3.98 0.32 0.00 -1.06 0.00 0.00 42.46 37.62 1wif s ILE 57 CO 0.01 -0.70 1.13 -3.20 -0.10 0.00 0.00 174.94 172.08 1wif n ASN 58 N 9.99 -0.27 -3.43 3.58 5.15 -1.26 -0.26 115.26 128.75 1wif n ASN 58 Ca 0.19 1.24 -0.40 0.00 -0.60 0.00 0.00 54.58 55.02 1wif n ASN 58 Cb 0.48 -0.37 -0.01 0.00 -0.53 0.00 0.00 39.78 39.35 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 -5.17 4.14 -2.43 1.20 5.02 -1.26 -4.68 118.16 114.98 1wif n LYS 59 Ca 0.11 -2.90 -0.05 0.00 -2.02 0.00 0.00 58.31 53.46 1wif n LYS 59 Cb 0.36 -2.73 -0.02 0.00 -0.02 0.00 0.00 35.03 32.62 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wif n GLY 60 N 2.62 3.37 0.11 0.72 0.00 0.64 -4.80 105.19 107.85 1wif n GLY 60 Ca 0.69 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 1wif n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wif h ALA 61 N 1.41 0.07 -0.53 4.61 0.00 -1.84 -3.32 119.26 119.67 1wif h ALA 61 Ca -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 1wif h ALA 61 Cb 0.32 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wif h ALA 61 CO 0.09 0.55 0.23 0.00 0.00 0.00 0.00 179.25 180.12 1wif h ALA 62 N -0.05 0.69 0.00 0.00 0.00 -1.91 -1.77 119.26 116.22 1wif h ALA 62 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wif h ALA 62 Cb 1.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wif h ALA 62 CO 0.05 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1wif h ALA 63 N 1.07 1.02 -0.03 0.00 0.00 -1.77 0.29 119.26 119.85 1wif h ALA 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wif h ALA 63 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wif h ALA 63 CO -0.02 -0.02 -0.02 0.43 0.00 0.00 0.00 179.25 179.62 1wif n SER 64 N -2.57 2.74 -4.31 0.00 7.64 -0.69 -4.86 113.62 111.57 1wif n SER 64 Ca -0.02 -1.87 -0.37 0.00 1.01 0.00 0.00 58.87 57.62 1wif n SER 64 Cb 0.08 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.79 4.95 -0.03 6.43 -1.08 0.10 -4.98 116.67 120.27 1wif s ASP 65 Ca 0.25 -0.78 -0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1wif s ASP 65 Cb 0.18 -1.83 -0.00 0.00 -1.46 0.00 0.00 42.92 39.80 1wif s ASP 65 CO 0.28 -0.18 2.14 0.61 0.52 0.00 0.00 175.17 178.53 1wif n GLY 66 N 4.81 2.69 0.00 2.66 0.00 -1.26 -3.52 105.19 110.58 1wif n GLY 66 Ca -0.15 -0.21 0.00 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 1.48 0.00 -3.55 -0.61 2.08 -1.26 -5.04 119.36 112.46 1wif n ILE 67 Ca 0.06 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 63.01 1wif n ILE 67 Cb 0.54 -0.38 -0.07 0.00 -0.75 0.00 0.00 39.64 38.98 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wif s LEU 68 N -4.49 4.26 0.19 1.39 1.43 -1.23 -4.96 118.68 115.27 1wif s LEU 68 Ca 0.00 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 1wif s LEU 68 Cb 0.00 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1wif s LEU 68 CO 0.00 0.13 -0.08 0.00 0.23 0.00 0.00 176.35 176.63 1wif s GLN 69 N 0.31 2.11 -1.17 1.70 -2.07 -1.26 -4.93 119.66 114.34 1wif s GLN 69 Ca 0.17 -1.26 -0.23 0.00 -1.82 0.00 0.00 55.36 52.22 1wif s GLN 69 Cb -0.13 -2.18 -0.09 0.00 -1.09 0.00 0.00 33.01 29.52 1wif s GLN 69 CO 0.04 0.43 1.94 -1.25 -1.32 0.00 0.00 175.29 175.13 1wif s PRO 70 N -2.90 2.49 0.00 9.60 0.04 -1.26 -3.48 135.00 139.49 1wif s PRO 70 Ca 0.26 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1wif s PRO 70 Cb -0.09 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1wif s PRO 70 CO 0.16 -3.97 0.00 0.41 0.04 0.00 0.00 177.00 173.64 1wif n GLY 71 N 5.85 0.00 3.53 0.56 0.00 0.15 -4.64 105.19 110.64 1wif n GLY 71 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 3.96 -0.46 1.61 1.11 -1.23 -4.82 116.67 116.85 1wif s ASP 72 Ca 0.00 -0.76 -0.12 0.00 0.18 0.00 0.00 52.55 51.85 1wif s ASP 72 Cb 0.00 -0.54 0.09 0.00 1.07 0.00 0.00 42.92 43.54 1wif s ASP 72 CO 0.00 0.08 0.35 -0.69 1.18 0.00 0.00 175.17 176.08 1wif s VAL 73 N -1.98 4.73 0.76 -1.27 1.01 -0.99 -2.73 120.40 119.93 1wif s VAL 73 Ca 0.26 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1wif s VAL 73 Cb -0.07 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.46 1wif s VAL 73 CO 0.15 -0.60 1.17 -0.76 0.00 0.00 0.00 175.10 175.06 1wif s LEU 74 N 1.52 3.21 0.00 3.92 1.43 -1.19 -0.83 118.68 126.74 1wif s LEU 74 Ca 0.04 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1wif s LEU 74 Cb -0.25 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.40 1wif s LEU 74 CO 0.04 -2.34 0.64 -0.38 0.23 0.00 0.00 176.35 174.54 1wif n ILE 75 N -3.06 0.00 0.00 -0.59 -0.00 0.26 -4.26 119.36 111.71 1wif n ILE 75 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.87 1wif n ILE 75 Cb 0.51 0.68 0.00 0.00 -0.00 0.00 0.00 39.64 40.83 1wif n ILE 75 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1wif n SER 76 N 0.00 0.00 -4.50 4.38 7.64 -1.26 -4.18 113.62 115.70 1wif n SER 76 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wif n SER 76 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1wif n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wif s VAL 77 N 0.00 4.23 0.00 0.44 1.01 -0.97 -4.01 120.40 121.10 1wif s VAL 77 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1wif s VAL 77 Cb 0.00 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1wif s VAL 77 CO 0.00 -1.68 0.00 0.61 0.00 0.00 0.00 175.10 174.03 1wif n GLY 78 N 5.85 0.77 2.00 4.51 0.00 -1.24 -3.92 105.19 113.16 1wif n GLY 78 Ca 0.17 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.14 -0.37 -3.96 1.61 -0.00 -1.26 -4.87 115.22 105.24 1wif n HIS 79 Ca 0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 1wif n HIS 79 Cb 0.40 -2.08 -0.14 0.00 -0.12 0.00 0.00 29.99 28.05 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 -1.61 3.06 -0.80 1.57 0.00 -1.25 -5.03 121.76 117.69 1wif s ALA 80 Ca 0.00 -2.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.03 1wif s ALA 80 Cb 0.00 -2.10 -0.19 0.00 0.00 0.00 0.00 23.12 20.82 1wif s ALA 80 CO 0.00 -1.80 2.09 -1.71 0.00 0.00 0.00 175.76 174.34 1wif n ASN 81 N 3.99 0.38 -0.29 0.00 2.85 -1.26 -2.28 115.26 118.64 1wif n ASN 81 Ca 0.04 -1.47 0.05 0.00 -0.11 0.00 0.00 54.58 53.08 1wif n ASN 81 Cb 0.39 -1.26 0.19 0.00 1.24 0.00 0.00 39.78 40.34 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 7.48 0.19 -0.17 3.44 0.24 -1.26 -4.30 118.33 123.95 1wif n VAL 82 Ca 0.44 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.46 1wif n VAL 82 Cb 0.38 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.98 -1.35 -3.95 1.34 6.46 -1.74 -0.70 115.31 116.35 1wif h LEU 83 Ca 0.00 0.23 -0.60 0.00 -0.12 0.00 0.00 57.88 57.39 1wif h LEU 83 Cb 0.22 0.62 -0.30 0.00 -0.73 0.00 0.00 40.66 40.47 1wif h LEU 83 CO 0.00 -0.34 0.65 0.61 -0.62 0.00 0.00 178.44 178.74 1wif n GLY 84 N -1.42 5.46 3.88 3.75 0.00 -1.25 -3.90 105.19 111.72 1wif n GLY 84 Ca 0.01 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.63 3.54 0.67 1.61 1.51 -0.27 -5.00 117.35 115.78 1wif s TYR 85 Ca 0.61 0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 57.31 1wif s TYR 85 Cb 0.49 -2.07 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 1wif s TYR 85 CO 0.03 0.51 0.93 0.95 -1.11 0.00 0.00 175.55 176.86 1wif s THR 86 N -1.47 2.32 0.28 -0.71 -4.23 -1.26 -4.33 115.64 106.24 1wif s THR 86 Ca 0.35 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1wif s THR 86 Cb -0.13 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.00 1wif s THR 86 CO 0.20 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.22 1wif h LEU 87 N -0.37 0.36 -0.03 4.79 5.85 -1.95 0.39 115.31 124.35 1wif h LEU 87 Ca -0.39 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1wif h LEU 87 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1wif h LEU 87 CO 0.46 0.70 -0.26 0.08 -0.34 0.00 0.00 178.44 179.08 1wif h ARG 88 N 0.29 0.00 0.08 1.25 0.11 -1.99 -2.92 114.38 111.21 1wif h ARG 88 Ca 0.03 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.77 1wif h ARG 88 Cb 0.78 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.83 1wif h ARG 88 CO 0.06 0.26 -1.95 0.39 0.10 0.00 0.00 179.97 178.83 1wif n GLU 89 N -3.17 0.72 0.01 0.08 -0.58 -1.04 -3.71 120.64 112.95 1wif n GLU 89 Ca 0.03 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.90 1wif n GLU 89 Cb 0.63 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.05 0.02 -0.58 -0.32 3.57 -0.31 0.88 116.94 120.24 1wif h PHE 90 Ca -0.40 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.16 1wif h PHE 90 Cb 2.03 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.73 1wif h PHE 90 CO 0.05 0.29 0.38 -0.07 -2.23 0.00 0.00 178.31 176.74 1wif h LEU 91 N -0.26 0.49 0.00 0.59 -0.00 -1.71 -0.76 115.31 113.66 1wif h LEU 91 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.74 1wif h LEU 91 Cb 0.28 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1wif h LEU 91 CO 0.00 0.33 -0.70 0.07 -0.00 0.00 0.00 178.44 178.13 1wif h LYS 92 N 0.57 0.00 0.10 1.13 5.09 -1.60 -3.19 116.57 118.67 1wif h LYS 92 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.98 1wif h LYS 92 Cb 0.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.59 1wif h LYS 92 CO -0.07 0.70 -0.05 1.25 -2.09 0.00 0.00 179.45 179.19 1wif h LEU 93 N 0.00 -0.11 -1.99 7.07 5.85 0.70 -2.97 115.31 123.85 1wif h LEU 93 Ca -0.01 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.92 1wif h LEU 93 Cb 1.54 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 1wif h LEU 93 CO 0.09 -0.08 0.53 -0.07 -0.34 0.00 0.00 178.44 178.58 1wif h LEU 94 N -0.14 0.00 0.00 2.25 -0.00 -1.66 0.39 115.31 116.15 1wif h LEU 94 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1wif h LEU 94 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1wif h LEU 94 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 1wif n GLN 95 N -4.22 0.01 0.00 1.13 1.13 -1.13 -0.07 117.38 114.23 1wif n GLN 95 Ca 0.14 0.41 0.11 0.00 -1.94 0.00 0.00 57.00 55.73 1wif n GLN 95 Cb 0.80 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.44 1.54 -4.89 1.08 3.02 0.14 -4.95 115.26 109.76 1wif n ASN 96 Ca 0.00 -1.22 -0.29 0.00 -0.03 0.00 0.00 54.58 53.04 1wif n ASN 96 Cb 0.02 0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.64 4.84 0.32 2.41 -1.09 0.90 -5.09 121.20 120.83 1wif s ILE 97 Ca 0.16 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 59.10 1wif s ILE 97 Cb 0.18 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1wif s ILE 97 CO 0.65 -0.81 0.36 -0.89 -1.23 0.00 0.00 174.94 173.01 1wif s THR 98 N -2.72 4.03 0.42 2.92 2.01 -1.26 -5.07 115.64 115.97 1wif s THR 98 Ca 0.50 -1.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 1wif s THR 98 Cb -0.10 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1wif s THR 98 CO 0.43 -0.20 1.24 -0.63 -0.69 0.00 0.00 174.62 174.76 1wif s ILE 99 N -2.20 2.84 -0.82 1.82 1.01 -1.26 -3.78 121.20 118.80 1wif s ILE 99 Ca 0.41 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.74 1wif s ILE 99 Cb -0.08 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1wif s ILE 99 CO 0.28 0.07 0.71 0.61 0.00 0.00 0.00 174.94 176.61 1wif n GLY 100 N 0.64 -0.43 3.17 6.18 0.00 -0.57 -4.96 105.19 109.22 1wif n GLY 100 Ca 0.05 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.28 1.87 -0.58 2.61 2.01 -1.25 -4.88 115.64 112.14 1wif s THR 101 Ca 0.20 -0.90 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1wif s THR 101 Cb -0.03 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.89 1wif s THR 101 CO 0.54 0.52 1.02 -0.69 -0.69 0.00 0.00 174.62 175.32 1wif s VAL 102 N 0.53 4.26 0.22 3.82 1.01 -1.26 -3.66 120.40 125.32 1wif s VAL 102 Ca -0.15 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1wif s VAL 102 Cb -0.17 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1wif s VAL 102 CO 0.05 -1.24 -0.14 -0.76 0.00 0.00 0.00 175.10 173.01 1wif s LEU 103 N 4.29 2.80 -0.57 3.92 2.01 -1.26 -5.03 118.68 124.84 1wif s LEU 103 Ca 0.33 -0.75 -0.13 0.00 0.01 0.00 0.00 54.13 53.58 1wif s LEU 103 Cb -0.12 -1.43 0.14 0.00 0.01 0.00 0.00 46.19 44.79 1wif s LEU 103 CO 0.19 0.08 0.50 -1.58 1.01 0.00 0.00 176.35 176.55 1wif s GLN 104 N -3.06 2.93 -0.62 1.70 0.74 -1.26 -3.68 119.66 116.41 1wif s GLN 104 Ca 0.26 -1.87 -0.21 0.00 0.05 0.00 0.00 55.36 53.59 1wif s GLN 104 Cb -0.07 -4.20 0.08 0.00 1.10 0.00 0.00 33.01 29.92 1wif s GLN 104 CO 0.15 -1.28 0.84 0.42 -0.55 0.00 0.00 175.29 174.86 1wif s ILE 105 N 1.26 4.56 -0.40 -2.34 -1.09 -1.04 -3.65 121.20 118.50 1wif s ILE 105 Ca 0.06 -0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 1wif s ILE 105 Cb -0.26 -4.57 0.02 0.00 -1.58 0.00 0.00 42.46 36.07 1wif s ILE 105 CO -0.00 -1.26 0.28 -0.75 -1.23 0.00 0.00 174.94 171.97 1wif s LYS 106 N 3.43 3.01 0.23 2.79 2.20 -1.26 -2.81 119.74 127.34 1wif s LYS 106 Ca 0.18 -0.98 0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1wif s LYS 106 Cb -0.20 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 1wif s LYS 106 CO 0.09 -0.70 -0.18 0.00 -0.36 0.00 0.00 175.35 174.20 1wif s ALA 107 N 1.66 2.38 0.14 3.13 0.00 0.69 -0.58 121.76 129.19 1wif s ALA 107 Ca 0.05 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.22 1wif s ALA 107 Cb -0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1wif s ALA 107 CO 0.09 0.21 0.38 0.71 0.00 0.00 0.00 175.76 177.15 1wif s TYR 108 N -2.58 3.47 -0.57 0.00 2.02 -0.01 -0.55 117.35 119.13 1wif s TYR 108 Ca 0.25 0.56 0.05 0.00 -0.37 0.00 0.00 57.07 57.56 1wif s TYR 108 Cb -0.04 -2.01 0.34 0.00 -0.40 0.00 0.00 41.96 39.85 1wif s TYR 108 CO 0.11 0.43 0.93 0.54 -1.57 0.00 0.00 175.55 175.99 1wif n ARG 109 N 0.08 3.12 0.00 -0.62 1.74 -1.20 -2.35 116.66 117.43 1wif n ARG 109 Ca -0.02 -4.80 0.00 0.00 -0.77 0.00 0.00 57.85 52.26 1wif n ARG 109 Cb 0.52 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wif n GLY 110 N -0.17 0.08 0.10 -0.13 0.00 -1.26 -4.68 105.19 99.12 1wif n GLY 110 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 1wif n GLY 110 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wif h PHE 111 N 0.00 -0.29 -3.73 1.61 3.04 -1.96 -3.39 116.94 112.21 1wif h PHE 111 Ca 0.00 0.00 -0.67 0.00 3.98 0.00 0.00 57.97 61.29 1wif h PHE 111 Cb 0.00 0.12 -0.20 0.00 2.56 0.00 0.00 35.95 38.43 1wif h PHE 111 CO 0.00 -0.14 -0.52 -1.17 -2.02 0.00 0.00 178.31 174.46 1wif s LEU 112 N -5.67 4.22 0.67 0.59 2.96 -1.26 -5.08 118.68 115.11 1wif s LEU 112 Ca -0.04 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 1wif s LEU 112 Cb 0.01 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1wif s LEU 112 CO 0.12 -0.17 1.10 -1.61 -1.32 0.00 0.00 176.35 174.48 1wif s GLU 113 N 1.69 2.75 -0.06 1.98 2.02 -1.26 -4.90 118.70 120.91 1wif s GLU 113 Ca 0.06 1.35 -0.24 0.00 0.02 0.00 0.00 54.97 56.15 1wif s GLU 113 Cb -0.17 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 1wif s GLU 113 CO 0.09 -1.29 0.74 0.42 0.02 0.00 0.00 175.26 175.24 1wif s ILE 114 N -2.43 5.02 -0.37 -1.63 1.01 -1.26 -5.00 121.20 116.53 1wif s ILE 114 Ca 0.66 1.52 -0.28 0.00 0.00 0.00 0.00 60.65 62.55 1wif s ILE 114 Cb -0.20 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1wif s ILE 114 CO 0.44 0.23 1.72 -2.16 0.00 0.00 0.00 174.94 175.16 1wif s PRO 115 N 0.89 3.32 0.28 2.79 0.04 -1.26 -4.88 135.00 136.18 1wif s PRO 115 Ca 0.39 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1wif s PRO 115 Cb -0.18 -4.18 0.63 0.00 0.04 0.00 0.00 34.50 30.81 1wif s PRO 115 CO 0.19 -1.87 1.73 1.96 0.04 0.00 0.00 177.00 179.05 1wif h GLN 116 N 12.58 0.52 -0.94 4.56 1.08 -1.94 -0.84 115.11 130.13 1wif h GLN 116 Ca -0.32 -0.03 0.33 0.00 -1.45 0.00 0.00 58.65 57.18 1wif h GLN 116 Cb 1.15 -0.12 -0.17 0.00 -0.05 0.00 0.00 27.48 28.30 1wif h GLN 116 CO 1.06 0.34 0.28 0.39 -0.95 0.00 0.00 178.83 179.95 1wif n GLU 117 N -4.94 -0.06 0.00 1.46 1.02 -1.26 -1.47 120.64 115.39 1wif n GLU 117 Ca 0.20 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.68 1wif n GLU 117 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1wif n TRP 118 N -5.24 0.00 -1.59 -0.32 7.02 -0.32 -4.67 117.44 112.31 1wif n TRP 118 Ca 0.29 0.00 -0.54 0.00 -1.02 0.00 0.00 57.50 56.24 1wif n TRP 118 Cb 0.98 -0.42 -0.06 0.00 -2.42 0.00 0.00 31.31 29.39 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 -1.78 0.98 -0.21 -0.99 1.13 -0.54 -4.83 117.38 111.13 1wif n GLN 119 Ca 0.00 0.35 0.01 0.00 -1.94 0.00 0.00 57.00 55.42 1wif n GLN 119 Cb 0.00 -1.98 0.09 0.00 0.11 0.00 0.00 30.24 28.46 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 4.62 -0.44 -1.43 1.08 5.19 -1.83 -3.36 116.42 120.25 1wif h ASP 120 Ca -0.48 0.18 -0.39 0.00 -0.62 0.00 0.00 57.03 55.72 1wif h ASP 120 Cb 1.35 0.34 0.00 0.00 0.18 0.00 0.00 39.33 41.20 1wif h ASP 120 CO 0.78 -0.17 1.35 -0.44 -3.12 0.00 0.00 179.24 177.64 1wif s SER 121 N -5.22 4.40 0.00 6.45 0.01 -1.26 -4.91 113.70 113.17 1wif s SER 121 Ca -0.14 0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1wif s SER 121 Cb 0.20 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wif s SER 121 CO 0.74 -3.02 0.00 0.61 0.41 0.00 0.00 173.24 171.98 1wif n GLY 122 N 6.13 3.43 3.55 3.44 0.00 -1.26 -4.95 105.19 115.52 1wif n GLY 122 Ca 0.37 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 2.57 2.62 -0.18 1.61 0.04 -1.26 -4.93 135.00 135.48 1wif s PRO 123 Ca 0.00 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.56 1wif s PRO 123 Cb 0.00 -4.39 0.07 0.00 0.04 0.00 0.00 34.50 30.22 1wif s PRO 123 CO 0.00 -2.74 0.41 0.45 0.04 0.00 0.00 177.00 175.16 1wif s SER 124 N 8.10 -0.40 -0.99 6.66 0.15 -1.26 -5.10 113.70 120.86 1wif s SER 124 Ca 0.67 0.91 -0.07 0.00 0.70 0.00 0.00 55.95 58.17 1wif s SER 124 Cb -0.13 0.95 0.25 0.00 -1.71 0.00 0.00 66.02 65.38 1wif s SER 124 CO 0.21 -0.21 0.93 -0.55 1.20 0.00 0.00 173.24 174.82 1wif s SER 125 N 1.81 6.71 0.00 5.45 0.15 -1.26 -5.23 113.70 121.33 1wif s SER 125 Ca -0.07 -3.53 0.00 0.00 0.70 0.00 0.00 55.95 53.06 1wif s SER 125 Cb -0.10 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1wif s SER 125 CO -0.13 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.64