#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 -6.39 -1.53 1.61 7.64 -1.26 -5.00 113.62 108.69 1wif n SER 2 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1wif n SER 2 Cb 0.00 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1wif n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wif n SER 3 N -4.33 -8.29 0.00 6.43 7.64 -1.26 -5.09 113.62 108.72 1wif n SER 3 Ca -0.00 1.47 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1wif n SER 3 Cb 0.63 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 1wif n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wif n GLY 4 N -1.62 4.50 3.58 0.23 0.00 -1.26 -5.20 105.19 105.42 1wif n GLY 4 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.31 1wif n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wif s SER 5 N 1.49 -0.02 0.21 1.61 0.01 -1.26 -5.19 113.70 110.55 1wif s SER 5 Ca 0.00 -0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 1wif s SER 5 Cb 0.00 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1wif s SER 5 CO 0.00 -0.07 0.45 -0.55 0.41 0.00 0.00 173.24 173.49 1wif s SER 6 N -2.87 -0.13 0.00 2.44 0.15 -1.26 -5.15 113.70 106.89 1wif s SER 6 Ca 0.14 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1wif s SER 6 Cb 0.06 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wif s SER 6 CO -0.06 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 173.94 1wif n GLY 7 N -0.32 -2.82 3.76 9.45 0.00 -1.26 -4.93 105.19 109.06 1wif n GLY 7 Ca -0.06 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1wif n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wif s SER 8 N -1.59 5.82 0.09 1.61 1.04 -1.26 -5.11 113.70 114.30 1wif s SER 8 Ca 0.00 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1wif s SER 8 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1wif s SER 8 CO 0.00 0.35 -0.03 -0.75 0.98 0.00 0.00 173.24 173.79 1wif s LYS 9 N -0.69 2.44 0.00 4.02 2.20 -1.26 -4.83 119.74 121.61 1wif s LYS 9 Ca 0.12 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1wif s LYS 9 Cb -0.12 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1wif s LYS 9 CO 0.02 0.53 0.00 -1.71 -0.36 0.00 0.00 175.35 173.84 1wif n ASN 10 N 0.62 0.00 0.00 1.43 5.15 -1.26 -4.93 115.26 116.28 1wif n ASN 10 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1wif n ASN 10 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1wif n ASN 10 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wif n GLU 11 N 0.00 -0.43 -4.14 1.20 -0.58 -1.26 -4.93 120.64 110.50 1wif n GLU 11 Ca 0.00 0.11 -0.09 0.00 -0.42 0.00 0.00 57.16 56.75 1wif n GLU 11 Cb 0.00 -3.84 -0.10 0.00 -0.57 0.00 0.00 31.44 26.93 1wif n GLU 11 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wif s LYS 12 N -0.79 0.87 0.00 3.49 -0.14 -1.26 -5.17 119.74 116.73 1wif s LYS 12 Ca 0.00 -1.40 0.00 0.00 -1.36 0.00 0.00 55.97 53.21 1wif s LYS 12 Cb 0.00 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 36.38 1wif s LYS 12 CO 0.00 -0.23 0.00 0.39 -0.76 0.00 0.00 175.35 174.75 1wif n GLU 13 N -0.06 2.92 -1.21 1.68 1.02 -1.26 -4.80 120.64 118.93 1wif n GLU 13 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1wif n GLU 13 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1wif n GLN 14 N 0.00 -3.22 -0.04 3.49 -0.06 -1.26 -4.96 117.38 111.33 1wif n GLN 14 Ca 0.00 2.48 -0.10 0.00 -2.00 0.00 0.00 57.00 57.39 1wif n GLN 14 Cb 0.00 -3.06 -0.03 0.00 -4.06 0.00 0.00 30.24 23.09 1wif n GLN 14 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1wif n LEU 15 N -2.14 1.08 -4.94 1.69 7.99 -1.26 -4.53 117.00 114.89 1wif n LEU 15 Ca 0.00 0.18 -0.26 0.00 -0.01 0.00 0.00 56.01 55.92 1wif n LEU 15 Cb 0.32 -0.41 0.09 0.00 -0.11 0.00 0.00 43.42 43.30 1wif n LEU 15 CO 0.00 -0.05 0.62 -0.55 -1.51 0.00 0.00 177.39 175.90 1wif s SER 16 N -6.04 4.56 0.99 -1.43 0.15 -1.26 -4.68 113.70 105.99 1wif s SER 16 Ca -0.15 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.65 1wif s SER 16 Cb 0.05 -0.82 0.19 0.00 -1.71 0.00 0.00 66.02 63.73 1wif s SER 16 CO 0.20 -1.75 1.08 -0.75 1.20 0.00 0.00 173.24 173.22 1wif s LYS 17 N -5.28 0.45 -0.42 5.44 2.47 -1.26 -5.03 119.74 116.11 1wif s LYS 17 Ca 0.63 0.67 0.07 0.00 -1.56 0.00 0.00 55.97 55.79 1wif s LYS 17 Cb -0.09 -1.73 0.25 0.00 -1.46 0.00 0.00 37.83 34.80 1wif s LYS 17 CO 0.45 -2.75 0.63 0.00 0.16 0.00 0.00 175.35 173.84 1wif n ALA 18 N -4.22 1.32 -4.29 3.13 0.00 -1.26 -5.12 120.51 110.07 1wif n ALA 18 Ca 0.05 -2.83 -0.20 0.00 0.00 0.00 0.00 53.44 50.47 1wif n ALA 18 Cb 0.56 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1wif n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wif n LYS 19 N 1.46 0.86 -2.40 0.00 4.76 -1.26 -5.17 118.16 116.40 1wif n LYS 19 Ca 0.18 -2.44 -0.25 0.00 -2.87 0.00 0.00 58.31 52.92 1wif n LYS 19 Cb 0.56 1.08 0.13 0.00 -1.84 0.00 0.00 35.03 34.96 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wif s ALA 20 N -2.71 3.30 -0.22 7.82 0.00 -1.26 -5.03 121.76 123.66 1wif s ALA 20 Ca 0.09 -1.56 0.11 0.00 0.00 0.00 0.00 51.96 50.60 1wif s ALA 20 Cb 0.00 -2.23 0.44 0.00 0.00 0.00 0.00 23.12 21.33 1wif s ALA 20 CO 0.07 -1.71 1.20 0.45 0.00 0.00 0.00 175.76 175.77 1wif n SER 21 N -3.08 2.59 -4.77 0.00 2.88 -1.26 -5.06 113.62 104.92 1wif n SER 21 Ca 0.15 -3.65 -0.40 0.00 -1.33 0.00 0.00 58.87 53.63 1wif n SER 21 Cb 0.60 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1wif n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wif s VAL 22 N -3.41 2.72 -0.40 2.46 0.11 -1.26 -4.96 120.40 115.66 1wif s VAL 22 Ca 0.41 0.71 0.06 0.00 -2.93 0.00 0.00 61.98 60.23 1wif s VAL 22 Cb 0.38 -3.45 0.43 0.00 -1.53 0.00 0.00 36.38 32.22 1wif s VAL 22 CO -0.04 0.16 1.13 -0.24 -3.33 0.00 0.00 175.10 172.77 1wif n SER 23 N 0.67 4.70 -2.57 3.54 2.88 -1.26 -5.01 113.62 116.57 1wif n SER 23 Ca 0.01 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.85 1wif n SER 23 Cb 0.42 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.54 -5.10 -4.80 -3.46 2.88 -1.26 -4.87 113.62 96.47 1wif n SER 24 Ca 0.40 0.32 -0.34 0.00 -1.33 0.00 0.00 58.87 57.92 1wif n SER 24 Cb 0.75 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 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 -0.75 4.01 -0.23 2.46 1.43 -1.26 -5.05 118.68 119.29 1wif s LEU 25 Ca 0.00 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1wif s LEU 25 Cb 0.00 -4.42 0.06 0.00 0.03 0.00 0.00 46.19 41.86 1wif s LEU 25 CO 0.00 -0.43 -0.07 0.54 0.23 0.00 0.00 176.35 176.62 1wif s ASN 26 N -1.96 3.76 -0.26 2.29 2.20 -1.26 -4.86 114.94 114.84 1wif s ASN 26 Ca 0.61 -1.11 -0.05 0.00 -0.94 0.00 0.00 52.86 51.37 1wif s ASN 26 Cb -0.14 -1.21 0.00 0.00 -2.00 0.00 0.00 41.25 37.90 1wif s ASN 26 CO 0.18 -0.21 0.02 -0.75 -2.94 0.00 0.00 177.10 173.41 1wif s LYS 27 N 1.38 3.18 -0.06 3.55 2.36 -1.26 -5.06 119.74 123.82 1wif s LYS 27 Ca -0.05 -0.78 -0.26 0.00 -2.55 0.00 0.00 55.97 52.33 1wif s LYS 27 Cb -0.18 -3.21 -0.03 0.00 -1.05 0.00 0.00 37.83 33.36 1wif s LYS 27 CO -0.07 -0.35 0.84 0.08 1.55 0.00 0.00 175.35 177.41 1wif s VAL 28 N 1.48 4.94 -0.00 4.02 1.01 -1.26 -2.37 120.40 128.21 1wif s VAL 28 Ca 0.03 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 1wif s VAL 28 Cb -0.16 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wif s VAL 28 CO -0.00 0.17 0.12 -0.63 0.00 0.00 0.00 175.10 174.76 1wif s ILE 29 N 1.18 5.01 -0.27 2.22 -1.09 0.13 -4.97 121.20 123.42 1wif s ILE 29 Ca 0.43 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1wif s ILE 29 Cb -0.19 -3.32 0.12 0.00 -1.58 0.00 0.00 42.46 37.48 1wif s ILE 29 CO 0.20 0.32 0.58 0.00 -1.23 0.00 0.00 174.94 174.82 1wif s GLN 30 N -1.87 0.51 0.03 2.79 0.00 -1.26 -0.25 119.66 119.61 1wif s GLN 30 Ca 0.25 1.32 -0.07 0.00 -0.00 0.00 0.00 55.36 56.87 1wif s GLN 30 Cb -0.12 0.68 -0.01 0.00 0.00 0.00 0.00 33.01 33.56 1wif s GLN 30 CO 0.17 -0.21 0.12 -0.08 0.00 0.00 0.00 175.29 175.29 1wif s THR 31 N 2.75 0.12 -0.30 3.63 -1.32 -1.12 -4.98 115.64 114.42 1wif s THR 31 Ca -0.05 -0.96 -0.13 0.00 -1.21 0.00 0.00 61.69 59.34 1wif s THR 31 Cb -0.12 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1wif s THR 31 CO -0.17 -0.53 0.29 -0.54 -2.21 0.00 0.00 174.62 171.46 1wif s LYS 32 N -2.28 3.84 -0.10 7.08 3.01 -1.26 -2.70 119.74 127.32 1wif s LYS 32 Ca -0.08 -0.26 -0.06 0.00 -1.01 0.00 0.00 55.97 54.56 1wif s LYS 32 Cb -0.03 -3.71 -0.04 0.00 -1.01 0.00 0.00 37.83 33.05 1wif s LYS 32 CO -0.03 -0.31 0.13 -0.51 0.51 0.00 0.00 175.35 175.13 1wif s LEU 33 N 1.91 4.28 -0.84 3.17 1.43 -1.25 -4.97 118.68 122.41 1wif s LEU 33 Ca 0.10 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.42 1wif s LEU 33 Cb -0.16 -2.10 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1wif s LEU 33 CO 0.11 0.39 1.06 -0.89 0.23 0.00 0.00 176.35 177.25 1wif s THR 34 N -1.05 4.61 0.04 5.49 2.01 -1.26 -4.21 115.64 121.27 1wif s THR 34 Ca 0.16 -1.20 -0.38 0.00 0.31 0.00 0.00 61.69 60.58 1wif s THR 34 Cb -0.12 -4.74 -0.19 0.00 0.01 0.00 0.00 72.50 67.46 1wif s THR 34 CO 0.06 -1.48 1.10 0.52 -0.69 0.00 0.00 174.62 174.13 1wif n VAL 35 N 5.64 0.15 -2.88 3.82 0.31 -1.24 -4.59 118.33 119.53 1wif n VAL 35 Ca 0.15 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.23 1wif n VAL 35 Cb 0.48 -0.21 0.07 0.00 -0.91 0.00 0.00 33.84 33.26 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 1.77 0.30 2.92 0.00 -1.26 -0.73 107.32 110.36 1wif s GLY 36 Ca 0.87 -1.94 0.05 0.00 0.00 0.00 0.00 44.72 43.71 1wif s GLY 36 CO 0.55 -1.48 1.72 3.43 0.00 0.00 0.00 173.10 177.31 1wif h ASN 37 N 0.01 0.48 0.11 1.64 2.35 -1.93 0.70 115.58 118.94 1wif h ASN 37 Ca -0.33 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1wif h ASN 37 Cb 1.28 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1wif h ASN 37 CO 0.41 0.07 -0.20 0.18 -1.65 0.00 0.00 177.43 176.24 1wif n LEU 38 N -4.96 1.45 -1.67 1.61 4.77 -1.26 -4.92 117.00 112.01 1wif n LEU 38 Ca 0.23 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1wif n LEU 38 Cb 0.66 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1wif n LEU 38 CO 0.15 0.26 -0.47 0.61 -1.33 0.00 0.00 177.39 176.61 1wif n GLY 39 N 1.31 -4.75 3.42 -0.72 0.00 0.24 -4.56 105.19 100.14 1wif n GLY 39 Ca 0.14 -0.65 -0.48 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.72 1.04 -1.97 0.99 -0.00 -1.26 -4.77 117.00 110.30 1wif n LEU 40 Ca 0.00 0.29 -0.06 0.00 -0.00 0.00 0.00 56.01 56.23 1wif n LEU 40 Cb 0.00 -1.06 0.30 0.00 -0.00 0.00 0.00 43.42 42.65 1wif n LEU 40 CO 0.00 -0.84 1.04 0.61 -0.00 0.00 0.00 177.39 178.20 1wif n GLY 41 N 6.74 3.75 0.98 1.47 0.00 -1.26 -5.00 105.19 111.87 1wif n GLY 41 Ca 0.54 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.24 -0.10 -3.97 0.99 -0.00 -1.26 -4.65 117.00 107.76 1wif n LEU 42 Ca 0.41 0.33 -0.42 0.00 -0.00 0.00 0.00 56.01 56.33 1wif n LEU 42 Cb 1.39 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 44.55 1wif n LEU 42 CO 0.44 -0.62 2.40 0.52 -0.00 0.00 0.00 177.39 180.12 1wif n VAL 43 N 0.31 3.69 -2.41 1.47 0.31 0.41 -4.88 118.33 117.22 1wif n VAL 43 Ca 0.06 -3.48 -0.32 0.00 -0.01 0.00 0.00 64.34 60.59 1wif n VAL 43 Cb 0.04 -2.52 -0.03 0.00 -0.91 0.00 0.00 33.84 30.42 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 3.07 4.61 0.54 2.52 0.11 -1.26 -2.33 120.40 127.66 1wif s VAL 44 Ca 0.48 1.04 0.02 0.00 -2.93 0.00 0.00 61.98 60.59 1wif s VAL 44 Cb 0.11 -3.75 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1wif s VAL 44 CO -0.04 -0.72 0.15 0.27 -3.33 0.00 0.00 175.10 171.43 1wif s ILE 45 N -2.66 1.24 -0.72 7.04 -4.36 -1.16 -4.85 121.20 115.73 1wif s ILE 45 Ca 0.57 -1.82 -0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1wif s ILE 45 Cb -0.10 -2.06 0.19 0.00 1.25 0.00 0.00 42.46 41.74 1wif s ILE 45 CO 0.35 0.00 0.59 -1.58 0.24 0.00 0.00 174.94 174.54 1wif s GLN 46 N -4.05 3.01 -0.61 0.37 -0.44 -1.26 -4.05 119.66 112.63 1wif s GLN 46 Ca 0.13 -2.58 0.02 0.00 -2.50 0.00 0.00 55.36 50.43 1wif s GLN 46 Cb -0.01 -4.00 0.15 0.00 -1.64 0.00 0.00 33.01 27.51 1wif s GLN 46 CO 0.08 -1.22 0.39 0.54 0.50 0.00 0.00 175.29 175.58 1wif s ASN 47 N 1.13 4.77 0.00 6.67 6.03 -1.26 -5.05 114.94 127.24 1wif s ASN 47 Ca 0.18 -3.17 0.00 0.00 -1.03 0.00 0.00 52.86 48.84 1wif s ASN 47 Cb -0.16 -1.72 0.00 0.00 -3.03 0.00 0.00 41.25 36.34 1wif s ASN 47 CO -0.06 -0.24 0.00 0.61 -2.03 0.00 0.00 177.10 175.38 1wif n GLY 48 N 2.95 -2.11 0.00 0.45 0.00 -1.26 -4.03 105.19 101.20 1wif n GLY 48 Ca 0.09 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.10 0.49 -4.71 1.61 -0.04 -1.26 -4.66 135.00 126.33 1wif n PRO 49 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1wif n PRO 49 Cb 0.00 -1.32 -0.15 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 1.69 -0.20 0.54 2.02 -1.26 -3.91 117.35 114.23 1wif s TYR 50 Ca 0.15 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.31 1wif s TYR 50 Cb 0.07 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1wif s TYR 50 CO 0.11 0.04 0.55 -0.51 -1.57 0.00 0.00 175.55 174.17 1wif s LEU 51 N -0.89 4.15 -0.16 -1.29 2.01 -1.26 -3.98 118.68 117.26 1wif s LEU 51 Ca 0.07 0.72 -0.01 0.00 0.01 0.00 0.00 54.13 54.92 1wif s LEU 51 Cb -0.08 -2.75 -0.01 0.00 0.01 0.00 0.00 46.19 43.36 1wif s LEU 51 CO 0.01 -0.20 -0.13 -1.10 1.01 0.00 0.00 176.35 175.93 1wif s GLN 52 N 1.70 3.28 -0.16 1.70 -0.21 -1.26 -3.36 119.66 121.35 1wif s GLN 52 Ca 0.25 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 54.63 1wif s GLN 52 Cb -0.16 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 1wif s GLN 52 CO 0.10 0.02 1.89 0.42 -2.12 0.00 0.00 175.29 175.60 1wif s ILE 53 N 0.82 3.32 -0.06 1.08 1.01 -1.17 -3.00 121.20 123.20 1wif s ILE 53 Ca -0.04 0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1wif s ILE 53 Cb -0.15 -3.33 -0.25 0.00 0.01 0.00 0.00 42.46 38.73 1wif s ILE 53 CO 0.00 -0.14 0.60 -1.28 0.00 0.00 0.00 174.94 174.12 1wif h SER 54 N 12.07 0.25 -4.45 3.58 0.87 -1.80 1.19 113.55 125.27 1wif h SER 54 Ca -0.40 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 59.60 1wif h SER 54 Cb 1.20 -0.08 -0.21 0.00 -0.44 0.00 0.00 62.40 62.87 1wif h SER 54 CO 0.98 1.44 0.02 -2.28 -0.53 0.00 0.00 176.83 176.45 1wif s HIS 55 N -2.59 -0.59 -0.19 2.24 5.65 -0.98 -4.80 115.29 114.02 1wif s HIS 55 Ca -0.12 1.27 -0.09 0.00 0.25 0.00 0.00 55.06 56.37 1wif s HIS 55 Cb 0.07 0.27 -0.05 0.00 -1.18 0.00 0.00 32.58 31.69 1wif s HIS 55 CO 0.81 -0.43 0.11 -0.51 -0.65 0.00 0.00 174.74 174.08 1wif s LEU 56 N -0.41 4.13 -0.30 8.88 1.43 -1.26 0.16 118.68 131.30 1wif s LEU 56 Ca -0.06 0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1wif s LEU 56 Cb -0.03 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1wif s LEU 56 CO 0.04 0.21 1.91 -0.63 0.23 0.00 0.00 176.35 178.11 1wif s ILE 57 N 0.19 3.35 0.28 -0.59 1.09 -1.26 -4.77 121.20 119.49 1wif s ILE 57 Ca 0.08 0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.92 1wif s ILE 57 Cb -0.11 -3.47 0.39 0.00 -1.06 0.00 0.00 42.46 38.21 1wif s ILE 57 CO -0.01 -0.30 1.58 -1.13 -0.10 0.00 0.00 174.94 174.98 1wif h ASN 58 N 13.48 -0.66 -0.34 3.58 -1.24 -1.96 0.30 115.58 128.74 1wif h ASN 58 Ca -0.36 0.26 -0.26 0.00 0.71 0.00 0.00 56.30 56.65 1wif h ASN 58 Cb 1.19 0.51 -0.10 0.00 0.73 0.00 0.00 38.32 40.65 1wif h ASN 58 CO 1.01 -0.30 -0.05 0.29 -1.29 0.00 0.00 177.43 177.10 1wif n LYS 59 N -5.52 1.96 -0.65 6.67 4.76 -1.26 -4.61 118.16 119.51 1wif n LYS 59 Ca 0.17 -1.30 0.00 0.00 -2.87 0.00 0.00 58.31 54.31 1wif n LYS 59 Cb 0.56 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.72 5.09 0.10 0.72 0.00 0.10 -4.82 105.19 108.10 1wif n GLY 60 Ca 0.38 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 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 0.76 -0.22 4.61 0.00 -1.26 -3.91 120.51 117.48 1wif n ALA 61 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 53.44 52.85 1wif n ALA 61 Cb 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.78 0.89 0.00 0.00 0.00 -1.91 0.16 119.26 117.61 1wif h ALA 62 Ca -0.26 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wif h ALA 62 Cb 1.08 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wif h ALA 62 CO -0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 179.25 178.91 1wif h ALA 63 N 1.44 1.38 -0.24 0.00 0.00 -1.77 0.36 119.26 120.43 1wif h ALA 63 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1wif h ALA 63 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wif h ALA 63 CO -0.31 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.41 1wif n SER 64 N -3.69 2.69 -4.33 0.00 7.64 0.48 -4.83 113.62 111.58 1wif n SER 64 Ca -0.03 -1.87 -0.35 0.00 1.01 0.00 0.00 58.87 57.63 1wif n SER 64 Cb 0.13 -0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.63 4.50 -0.04 6.43 2.15 0.11 -4.99 116.67 123.21 1wif s ASP 65 Ca 0.35 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.90 1wif s ASP 65 Cb 0.21 -1.77 0.03 0.00 -0.30 0.00 0.00 42.92 41.08 1wif s ASP 65 CO 0.30 -0.05 1.62 0.61 -0.17 0.00 0.00 175.17 177.48 1wif n GLY 66 N 4.81 2.48 0.99 2.66 0.00 -1.26 -3.77 105.19 111.11 1wif n GLY 66 Ca -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 0.97 0.45 -2.89 -0.61 -0.00 -1.26 -5.03 119.36 110.99 1wif n ILE 67 Ca 0.04 0.13 -0.41 0.00 -0.00 0.00 0.00 62.75 62.51 1wif n ILE 67 Cb 0.54 -1.54 -0.04 0.00 -0.00 0.00 0.00 39.64 38.59 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 -6.37 4.34 0.14 1.39 1.43 -1.25 -5.03 118.68 113.33 1wif s LEU 68 Ca -0.01 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 54.57 1wif s LEU 68 Cb 0.00 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1wif s LEU 68 CO 0.01 -0.19 -0.10 0.00 0.23 0.00 0.00 176.35 176.30 1wif s GLN 69 N 0.92 2.07 -1.10 1.70 -2.07 -1.26 -4.91 119.66 115.02 1wif s GLN 69 Ca 0.44 -1.16 -0.23 0.00 -1.82 0.00 0.00 55.36 52.59 1wif s GLN 69 Cb -0.19 -2.22 -0.07 0.00 -1.09 0.00 0.00 33.01 29.43 1wif s GLN 69 CO 0.22 0.47 1.94 -1.25 -1.32 0.00 0.00 175.29 175.35 1wif s PRO 70 N -2.53 2.52 0.00 9.60 0.04 -1.26 -3.49 135.00 139.88 1wif s PRO 70 Ca 0.23 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1wif s PRO 70 Cb -0.10 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wif s PRO 70 CO 0.14 -3.79 0.00 0.41 0.04 0.00 0.00 177.00 173.80 1wif n GLY 71 N 6.14 0.00 3.48 0.56 0.00 0.41 -4.61 105.19 111.16 1wif n GLY 71 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 3.69 -0.44 1.61 1.11 -1.23 -4.87 116.67 116.54 1wif s ASP 72 Ca 0.00 -0.88 -0.13 0.00 0.18 0.00 0.00 52.55 51.73 1wif s ASP 72 Cb 0.00 -0.38 0.07 0.00 1.07 0.00 0.00 42.92 43.68 1wif s ASP 72 CO 0.00 0.08 0.33 -0.69 1.18 0.00 0.00 175.17 176.06 1wif s VAL 73 N -2.05 4.80 0.71 -1.27 1.01 -1.03 -3.06 120.40 119.50 1wif s VAL 73 Ca 0.26 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1wif s VAL 73 Cb -0.07 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1wif s VAL 73 CO 0.13 -0.52 1.14 -0.76 0.00 0.00 0.00 175.10 175.10 1wif s LEU 74 N 1.55 3.29 0.00 3.92 1.43 -1.21 -0.49 118.68 127.17 1wif s LEU 74 Ca 0.03 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1wif s LEU 74 Cb -0.23 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1wif s LEU 74 CO 0.05 -1.97 0.92 -0.38 0.23 0.00 0.00 176.35 175.19 1wif n ILE 75 N -2.75 0.00 0.00 -0.59 -0.00 0.16 -4.18 119.36 111.99 1wif n ILE 75 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1wif n ILE 75 Cb 0.52 0.46 0.00 0.00 -0.00 0.00 0.00 39.64 40.61 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 0.00 0.00 -4.47 4.38 3.41 -1.25 -4.30 113.62 111.38 1wif n SER 76 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1wif n SER 76 Cb 0.67 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 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 4.45 0.00 -3.33 1.01 -0.94 -3.84 120.40 117.75 1wif s VAL 77 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1wif s VAL 77 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1wif s VAL 77 CO 0.00 -1.58 0.00 0.61 0.00 0.00 0.00 175.10 174.13 1wif n GLY 78 N 5.67 0.80 2.38 4.51 0.00 -1.25 -3.89 105.19 113.41 1wif n GLY 78 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.05 -0.17 -3.96 1.61 -0.00 -1.26 -4.88 115.22 105.50 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 0.38 -2.21 -0.14 0.00 -0.12 0.00 0.00 29.99 27.90 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 -1.56 2.97 -0.86 1.57 0.00 -1.25 -5.04 121.76 117.60 1wif s ALA 80 Ca 0.00 -2.57 -0.20 0.00 0.00 0.00 0.00 51.96 49.19 1wif s ALA 80 Cb 0.00 -2.07 -0.21 0.00 0.00 0.00 0.00 23.12 20.84 1wif s ALA 80 CO 0.00 -1.73 2.33 -1.71 0.00 0.00 0.00 175.76 174.65 1wif n ASN 81 N 4.28 0.68 -0.39 0.00 5.15 -1.26 -2.20 115.26 121.51 1wif n ASN 81 Ca 0.03 -1.14 0.08 0.00 -0.60 0.00 0.00 54.58 52.95 1wif n ASN 81 Cb 0.41 -1.27 0.32 0.00 -0.53 0.00 0.00 39.78 38.72 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 7.65 0.20 -0.29 3.44 0.24 -1.26 -4.29 118.33 124.01 1wif n VAL 82 Ca 0.54 -0.26 0.08 0.00 -2.04 0.00 0.00 64.34 62.66 1wif n VAL 82 Cb 0.33 0.15 0.19 0.00 -1.47 0.00 0.00 33.84 33.04 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 1.42 -0.46 -3.77 1.34 6.46 -1.77 0.89 115.31 119.42 1wif h LEU 83 Ca 0.00 0.23 -0.52 0.00 -0.12 0.00 0.00 57.88 57.47 1wif h LEU 83 Cb 0.32 0.42 -0.31 0.00 -0.73 0.00 0.00 40.66 40.35 1wif h LEU 83 CO 0.00 -0.25 -0.02 0.61 -0.62 0.00 0.00 178.44 178.16 1wif n GLY 84 N -1.47 5.86 3.88 3.75 0.00 -1.26 -4.16 105.19 111.79 1wif n GLY 84 Ca 0.16 -2.20 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.60 3.60 0.11 1.61 1.51 0.30 -5.00 117.35 115.88 1wif s TYR 85 Ca 0.55 0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 57.11 1wif s TYR 85 Cb 0.45 -2.02 -0.06 0.00 -0.11 0.00 0.00 41.96 40.22 1wif s TYR 85 CO 0.02 0.65 0.46 0.95 -1.11 0.00 0.00 175.55 176.51 1wif s THR 86 N -1.21 5.00 0.49 -0.71 -4.23 -1.26 -4.32 115.64 109.40 1wif s THR 86 Ca 0.24 0.59 0.41 0.00 -1.18 0.00 0.00 61.69 61.75 1wif s THR 86 Cb -0.13 -3.68 0.61 0.00 1.34 0.00 0.00 72.50 70.64 1wif s THR 86 CO 0.13 0.26 1.33 -0.11 -0.54 0.00 0.00 174.62 175.69 1wif n LEU 87 N 0.84 0.00 -0.05 4.79 7.94 -1.26 0.78 117.00 130.04 1wif n LEU 87 Ca -0.07 0.84 -0.08 0.00 -1.11 0.00 0.00 56.01 55.59 1wif n LEU 87 Cb 0.52 -0.40 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 1wif n LEU 87 CO 0.42 -0.84 0.22 0.03 -1.11 0.00 0.00 177.39 176.12 1wif h ARG 88 N 0.00 -0.03 0.00 1.96 3.08 -1.97 -2.85 114.38 114.57 1wif h ARG 88 Ca 0.77 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.81 1wif h ARG 88 Cb 3.20 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 33.26 1wif h ARG 88 CO -0.01 0.48 -0.05 0.93 -1.07 0.00 0.00 179.97 180.25 1wif h GLU 89 N -0.99 0.00 -0.01 0.04 4.39 -0.00 -2.18 114.58 115.83 1wif h GLU 89 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1wif h GLU 89 Cb 0.52 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1wif h GLU 89 CO 0.00 0.05 -0.64 0.35 -1.16 0.00 0.00 179.01 177.61 1wif h PHE 90 N 0.00 0.68 -0.66 4.33 3.57 -0.44 -2.13 116.94 122.28 1wif h PHE 90 Ca -0.00 -0.36 -0.06 0.00 3.53 0.00 0.00 57.97 61.09 1wif h PHE 90 Cb 0.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1wif h PHE 90 CO 0.00 1.17 0.19 -0.07 -2.23 0.00 0.00 178.31 177.38 1wif h LEU 91 N -0.01 0.98 -0.93 0.59 -0.00 -1.18 -2.20 115.31 112.55 1wif h LEU 91 Ca -0.08 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.88 57.49 1wif h LEU 91 Cb 1.34 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 1wif h LEU 91 CO 0.13 0.94 -0.48 0.07 -0.00 0.00 0.00 178.44 179.09 1wif h LYS 92 N 0.97 0.00 0.50 1.13 5.09 -1.48 -2.89 116.57 119.89 1wif h LYS 92 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.93 1wif h LYS 92 Cb 0.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.65 1wif h LYS 92 CO -0.00 0.48 -0.24 1.25 -2.09 0.00 0.00 179.45 178.85 1wif h LEU 93 N 0.00 -0.57 -2.13 7.07 5.85 -0.95 -3.07 115.31 121.52 1wif h LEU 93 Ca -0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1wif h LEU 93 Cb 0.94 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1wif h LEU 93 CO 0.06 -0.26 0.31 -0.07 -0.34 0.00 0.00 178.44 178.14 1wif h LEU 94 N -0.97 0.00 0.00 2.25 3.38 -1.49 0.29 115.31 118.77 1wif h LEU 94 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wif h LEU 94 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wif h LEU 94 CO 0.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1wif n GLN 95 N -3.40 0.03 -0.17 1.13 6.02 -1.09 -1.02 117.38 118.87 1wif n GLN 95 Ca 0.02 0.32 0.11 0.00 -0.01 0.00 0.00 57.00 57.44 1wif n GLN 95 Cb 0.42 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.37 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wif n ASN 96 N -1.45 3.32 -4.84 1.08 3.02 0.10 -4.96 115.26 111.53 1wif n ASN 96 Ca 0.03 -1.96 -0.34 0.00 -0.03 0.00 0.00 54.58 52.28 1wif n ASN 96 Cb 0.10 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.42 4.77 0.22 2.41 -1.09 -0.19 -5.09 121.20 120.82 1wif s ILE 97 Ca 0.36 0.89 0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1wif s ILE 97 Cb 0.21 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1wif s ILE 97 CO 0.29 0.11 0.34 -0.89 -1.23 0.00 0.00 174.94 173.56 1wif s THR 98 N -1.63 5.23 0.56 2.92 2.01 -1.26 -5.05 115.64 118.42 1wif s THR 98 Ca 0.43 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1wif s THR 98 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1wif s THR 98 CO 0.20 -0.29 1.21 -0.63 -0.69 0.00 0.00 174.62 174.42 1wif s ILE 99 N -1.94 2.68 -1.16 1.82 1.01 -1.26 -3.68 121.20 118.68 1wif s ILE 99 Ca 0.34 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.41 1wif s ILE 99 Cb -0.09 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1wif s ILE 99 CO 0.29 -0.07 0.93 0.61 0.00 0.00 0.00 174.94 176.69 1wif n GLY 100 N 0.49 -0.67 3.20 6.18 0.00 0.09 -4.96 105.19 109.52 1wif n GLY 100 Ca 0.12 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.41 1.92 -0.55 2.61 2.01 -1.24 -4.90 115.64 112.07 1wif s THR 101 Ca 0.19 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1wif s THR 101 Cb -0.03 -1.65 0.05 0.00 0.01 0.00 0.00 72.50 70.88 1wif s THR 101 CO 0.75 0.53 0.86 -0.69 -0.69 0.00 0.00 174.62 175.38 1wif s VAL 102 N 0.27 4.51 0.18 3.82 1.01 -1.26 -3.64 120.40 125.29 1wif s VAL 102 Ca -0.15 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1wif s VAL 102 Cb -0.17 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1wif s VAL 102 CO 0.07 -1.08 -0.10 -0.76 0.00 0.00 0.00 175.10 173.23 1wif s LEU 103 N 3.60 2.94 -0.56 3.92 2.01 -1.26 -5.04 118.68 124.30 1wif s LEU 103 Ca 0.25 -0.59 -0.16 0.00 0.01 0.00 0.00 54.13 53.64 1wif s LEU 103 Cb -0.15 -1.64 0.13 0.00 0.01 0.00 0.00 46.19 44.54 1wif s LEU 103 CO 0.16 0.11 0.55 -1.58 1.01 0.00 0.00 176.35 176.59 1wif s GLN 104 N -2.79 3.02 -0.67 1.70 0.74 -1.26 -3.89 119.66 116.50 1wif s GLN 104 Ca 0.24 -1.66 -0.21 0.00 0.05 0.00 0.00 55.36 53.79 1wif s GLN 104 Cb -0.09 -4.30 0.09 0.00 1.10 0.00 0.00 33.01 29.81 1wif s GLN 104 CO 0.15 -1.37 0.89 0.42 -0.55 0.00 0.00 175.29 174.83 1wif s ILE 105 N 1.77 4.55 -0.40 -2.34 -1.09 -1.10 -3.77 121.20 118.83 1wif s ILE 105 Ca 0.05 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 1wif s ILE 105 Cb -0.28 -4.63 0.01 0.00 -1.58 0.00 0.00 42.46 35.98 1wif s ILE 105 CO 0.03 -1.35 0.32 -0.75 -1.23 0.00 0.00 174.94 171.97 1wif s LYS 106 N 3.39 3.13 0.34 2.79 2.20 -1.25 -2.79 119.74 127.55 1wif s LYS 106 Ca 0.20 -0.85 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1wif s LYS 106 Cb -0.18 -3.93 -0.07 0.00 -1.51 0.00 0.00 37.83 32.14 1wif s LYS 106 CO 0.06 -0.70 0.03 0.00 -0.36 0.00 0.00 175.35 174.38 1wif s ALA 107 N 1.81 2.52 0.00 3.13 0.00 0.65 0.36 121.76 130.23 1wif s ALA 107 Ca 0.07 -2.09 -0.01 0.00 0.00 0.00 0.00 51.96 49.93 1wif s ALA 107 Cb -0.18 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1wif s ALA 107 CO 0.11 -0.24 0.11 0.71 0.00 0.00 0.00 175.76 176.45 1wif s TYR 108 N -3.15 3.36 -0.25 0.00 2.02 0.35 0.22 117.35 119.92 1wif s TYR 108 Ca 0.35 0.24 0.12 0.00 -0.37 0.00 0.00 57.07 57.42 1wif s TYR 108 Cb 0.08 -1.76 0.53 0.00 -0.40 0.00 0.00 41.96 40.41 1wif s TYR 108 CO 0.16 0.58 1.47 -2.13 -1.57 0.00 0.00 175.55 174.05 1wif n ARG 109 N 1.04 2.38 0.00 -0.62 0.63 -1.00 -2.47 116.66 116.62 1wif n ARG 109 Ca -0.12 -3.01 0.00 0.00 -0.92 0.00 0.00 57.85 53.80 1wif n ARG 109 Cb 0.53 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wif n GLY 110 N -0.83 0.00 0.00 5.14 0.00 -1.26 -4.82 105.19 103.42 1wif n GLY 110 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.00 -3.25 1.61 7.35 -1.26 -4.90 117.46 117.01 1wif n PHE 111 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1wif n PHE 111 Cb 0.00 -0.02 -0.08 0.00 0.35 0.00 0.00 39.48 39.74 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 -4.32 4.90 0.55 -2.13 2.96 -1.26 -5.05 118.68 114.34 1wif s LEU 112 Ca 0.00 -0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 52.97 1wif s LEU 112 Cb 0.00 -2.44 -0.07 0.00 0.50 0.00 0.00 46.19 44.18 1wif s LEU 112 CO 0.00 -0.70 0.85 -0.62 -1.32 0.00 0.00 176.35 174.56 1wif n GLU 113 N 5.82 0.88 -3.14 1.98 4.71 -1.26 -4.91 120.64 124.72 1wif n GLU 113 Ca -0.07 0.33 -0.39 0.00 -0.01 0.00 0.00 57.16 57.03 1wif n GLU 113 Cb 0.47 -2.01 -0.06 0.00 -1.01 0.00 0.00 31.44 28.83 1wif n GLU 113 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1wif s ILE 114 N -1.52 4.80 -0.19 -3.67 1.01 -1.26 -5.02 121.20 115.35 1wif s ILE 114 Ca 0.71 1.38 -0.29 0.00 0.00 0.00 0.00 60.65 62.45 1wif s ILE 114 Cb -0.45 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1wif s ILE 114 CO 0.51 0.43 1.59 -2.16 0.00 0.00 0.00 174.94 175.31 1wif s PRO 115 N -0.33 3.90 0.16 2.79 0.04 -1.26 -4.91 135.00 135.39 1wif s PRO 115 Ca 0.33 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1wif s PRO 115 Cb -0.19 -4.00 0.10 0.00 0.04 0.00 0.00 34.50 30.45 1wif s PRO 115 CO 0.20 -1.17 1.72 1.96 0.04 0.00 0.00 177.00 179.75 1wif h GLN 116 N 10.29 0.19 -0.67 4.56 7.50 -1.95 -2.31 115.11 132.72 1wif h GLN 116 Ca -0.34 -0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.01 1wif h GLN 116 Cb 1.15 -0.04 -0.12 0.00 0.05 0.00 0.00 27.48 28.51 1wif h GLN 116 CO 0.99 0.13 0.09 0.39 -1.50 0.00 0.00 178.83 178.93 1wif n GLU 117 N -5.10 -0.05 0.00 1.46 -0.58 -1.26 -1.55 120.64 113.55 1wif n GLU 117 Ca 0.03 0.99 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 1wif n GLU 117 Cb 0.18 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1wif n TRP 118 N -4.82 0.00 -0.85 -0.32 7.02 -0.87 -4.78 117.44 112.83 1wif n TRP 118 Ca 0.18 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.32 1wif n TRP 118 Cb 0.59 -0.05 0.10 0.00 -2.42 0.00 0.00 31.31 29.53 1wif n TRP 118 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wif n GLN 119 N -0.66 -0.34 0.00 -0.99 10.64 -0.60 -4.96 117.38 120.47 1wif n GLN 119 Ca 0.00 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1wif n GLN 119 Cb 0.00 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 27.80 1wif n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wif n ASP 120 N 0.12 0.00 -4.35 2.61 2.03 -1.26 -4.93 116.55 110.77 1wif n ASP 120 Ca 0.03 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.96 1wif n ASP 120 Cb 0.56 0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.93 1wif n ASP 120 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wif s SER 121 N -4.26 5.37 0.00 1.67 0.01 -1.26 -5.02 113.70 110.21 1wif s SER 121 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1wif s SER 121 Cb 0.00 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1wif s SER 121 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wif n GLY 122 N 4.90 2.15 3.55 3.44 0.00 -1.26 -5.09 105.19 112.89 1wif n GLY 122 Ca -0.13 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 1.70 2.59 -0.07 1.61 0.04 -1.26 -4.97 135.00 134.65 1wif s PRO 123 Ca 0.00 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.20 1wif s PRO 123 Cb 0.00 -4.70 -0.04 0.00 0.04 0.00 0.00 34.50 29.80 1wif s PRO 123 CO 0.00 -3.03 0.08 -1.12 0.04 0.00 0.00 177.00 172.97 1wif s SER 124 N 8.07 5.82 -1.16 6.66 0.01 -1.26 -5.04 113.70 126.81 1wif s SER 124 Ca 0.69 0.26 -0.16 0.00 1.31 0.00 0.00 55.95 58.05 1wif s SER 124 Cb -0.10 -1.75 0.14 0.00 0.21 0.00 0.00 66.02 64.52 1wif s SER 124 CO 0.11 0.35 1.42 -0.44 0.41 0.00 0.00 173.24 175.09 1wif s SER 125 N -1.26 6.92 0.00 2.44 0.01 -1.26 -5.30 113.70 115.25 1wif s SER 125 Ca 0.18 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 54.78 1wif s SER 125 Cb -0.12 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1wif s SER 125 CO 0.07 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.43