#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 -0.09 -0.12 1.61 0.15 -1.26 -5.19 113.70 108.80 1wif s SER 2 Ca 0.00 0.04 -0.33 0.00 0.70 0.00 0.00 55.95 56.35 1wif s SER 2 Cb 0.00 0.09 0.13 0.00 -1.71 0.00 0.00 66.02 64.53 1wif s SER 2 CO 0.00 -0.12 1.21 -0.44 1.20 0.00 0.00 173.24 175.09 1wif s SER 3 N -1.73 -0.13 0.00 5.45 0.01 -1.26 -5.12 113.70 110.92 1wif s SER 3 Ca 0.09 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wif s SER 3 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wif s SER 3 CO -0.05 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1wif n GLY 4 N -0.22 -0.58 3.36 3.44 0.00 -1.26 -5.18 105.19 104.75 1wif n GLY 4 Ca -0.03 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1wif n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wif s SER 5 N 0.00 -0.57 -0.04 1.61 0.15 -1.26 -5.12 113.70 108.47 1wif s SER 5 Ca 0.00 1.00 -0.35 0.00 0.70 0.00 0.00 55.95 57.31 1wif s SER 5 Cb 0.00 0.94 -0.13 0.00 -1.71 0.00 0.00 66.02 65.12 1wif s SER 5 CO 0.00 -0.19 1.79 -1.20 1.20 0.00 0.00 173.24 174.84 1wif n SER 6 N 3.68 3.24 -0.36 5.45 7.64 -1.26 -4.64 113.62 127.37 1wif n SER 6 Ca -0.19 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1wif n SER 6 Cb 0.56 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1wif n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wif n GLY 7 N 4.12 -1.13 4.00 0.23 0.00 -1.26 -4.86 105.19 106.29 1wif n GLY 7 Ca 0.22 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.19 -0.59 -4.43 1.61 2.88 -1.26 -4.89 113.62 105.75 1wif n SER 8 Ca 0.00 -1.04 -0.24 0.00 -1.33 0.00 0.00 58.87 56.27 1wif n SER 8 Cb 0.00 -1.31 -0.11 0.00 -0.75 0.00 0.00 64.21 62.04 1wif n SER 8 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wif s LYS 9 N -6.32 1.55 0.34 -1.46 2.20 -1.26 -5.00 119.74 109.78 1wif s LYS 9 Ca 0.42 -1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 54.32 1wif s LYS 9 Cb -0.24 -1.66 0.09 0.00 -1.51 0.00 0.00 37.83 34.50 1wif s LYS 9 CO 0.84 0.32 0.23 -1.71 -0.36 0.00 0.00 175.35 174.67 1wif n ASN 10 N -0.27 -2.05 0.00 1.43 5.15 -1.26 -4.82 115.26 113.45 1wif n ASN 10 Ca -0.08 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1wif n ASN 10 Cb 0.59 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 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 -2.70 0.00 -1.05 1.20 -0.58 -1.26 -4.80 120.64 111.45 1wif n GLU 11 Ca 0.03 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.38 1wif n GLU 11 Cb 0.15 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.97 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wif n LYS 12 N 0.40 0.00 -3.02 3.49 5.02 -1.26 -4.81 118.16 117.98 1wif n LYS 12 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1wif n LYS 12 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1wif n LYS 12 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wif n GLU 13 N 0.97 3.65 -0.13 1.97 2.13 -1.26 -4.66 120.64 123.30 1wif n GLU 13 Ca 0.14 -4.15 0.05 0.00 0.66 0.00 0.00 57.16 53.86 1wif n GLU 13 Cb 0.09 -2.75 0.12 0.00 0.27 0.00 0.00 31.44 29.17 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1wif n GLN 14 N 3.58 2.50 -0.25 5.31 7.27 -1.26 -4.75 117.38 129.78 1wif n GLN 14 Ca 0.31 -1.86 0.00 0.00 0.07 0.00 0.00 57.00 55.52 1wif n GLN 14 Cb 0.39 -1.23 0.04 0.00 2.41 0.00 0.00 30.24 31.84 1wif n GLN 14 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1wif n LEU 15 N 0.44 -0.40 -3.63 1.69 4.32 -1.26 -4.67 117.00 113.49 1wif n LEU 15 Ca 0.10 1.14 -0.04 0.00 -0.02 0.00 0.00 56.01 57.19 1wif n LEU 15 Cb 0.38 -0.27 -0.05 0.00 -1.62 0.00 0.00 43.42 41.86 1wif n LEU 15 CO 0.07 -1.04 1.06 -0.94 -1.22 0.00 0.00 177.39 175.33 1wif s SER 16 N -5.23 -0.12 0.90 -1.43 1.04 -1.26 -4.80 113.70 102.80 1wif s SER 16 Ca -0.09 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 1wif s SER 16 Cb 0.14 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1wif s SER 16 CO 0.47 -0.11 0.24 0.29 0.98 0.00 0.00 173.24 175.12 1wif n LYS 17 N 0.65 -0.12 0.00 4.02 5.02 -1.26 -4.94 118.16 121.52 1wif n LYS 17 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1wif n LYS 17 Cb 0.59 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1wif n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wif n ALA 18 N -3.16 0.00 -1.51 7.82 0.00 -1.26 -5.17 120.51 117.23 1wif n ALA 18 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1wif n ALA 18 Cb 0.53 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.18 1wif n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wif s LYS 19 N 0.00 -0.12 0.31 0.00 3.01 -1.26 -5.10 119.74 116.58 1wif s LYS 19 Ca 0.00 -0.18 -0.19 0.00 -1.01 0.00 0.00 55.97 54.59 1wif s LYS 19 Cb 0.00 -1.74 0.06 0.00 -1.01 0.00 0.00 37.83 35.14 1wif s LYS 19 CO 0.00 -2.96 0.85 0.00 0.51 0.00 0.00 175.35 173.75 1wif s ALA 20 N -3.43 -1.07 -0.52 5.17 0.00 -1.26 -5.06 121.76 115.58 1wif s ALA 20 Ca 0.71 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1wif s ALA 20 Cb -0.08 0.72 0.42 0.00 0.00 0.00 0.00 23.12 24.18 1wif s ALA 20 CO 0.54 -1.02 1.44 -1.13 0.00 0.00 0.00 175.76 175.59 1wif n SER 21 N -1.15 5.72 -4.82 0.00 3.41 -1.26 -5.05 113.62 110.48 1wif n SER 21 Ca -0.06 -3.76 -0.33 0.00 -0.26 0.00 0.00 58.87 54.46 1wif n SER 21 Cb 0.60 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1wif n SER 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wif s VAL 22 N -5.14 4.14 -0.18 -3.33 0.11 -1.26 -4.98 120.40 109.75 1wif s VAL 22 Ca 0.51 1.04 0.02 0.00 -2.93 0.00 0.00 61.98 60.62 1wif s VAL 22 Cb 0.42 -3.54 0.06 0.00 -1.53 0.00 0.00 36.38 31.79 1wif s VAL 22 CO -0.17 -0.57 0.85 -1.54 -3.33 0.00 0.00 175.10 170.35 1wif n SER 23 N -1.74 -0.68 -2.41 3.54 3.41 -1.26 -5.02 113.62 109.46 1wif n SER 23 Ca 0.08 -1.41 -0.28 0.00 -0.26 0.00 0.00 58.87 57.00 1wif n SER 23 Cb 0.53 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wif n SER 24 N -0.37 6.83 -3.43 4.04 2.88 -1.26 -4.72 113.62 117.60 1wif n SER 24 Ca -0.15 -3.37 -0.23 0.00 -1.33 0.00 0.00 58.87 53.79 1wif n SER 24 Cb 0.60 -1.13 -0.10 0.00 -0.75 0.00 0.00 64.21 62.83 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 -2.66 0.41 -0.25 2.46 1.43 -1.26 -5.10 118.68 113.71 1wif s LEU 25 Ca 0.52 -1.70 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1wif s LEU 25 Cb 0.38 0.06 0.07 0.00 0.03 0.00 0.00 46.19 46.73 1wif s LEU 25 CO -0.18 -0.31 -0.03 0.20 0.23 0.00 0.00 176.35 176.26 1wif s ASN 26 N 1.46 3.91 0.06 2.29 0.01 -1.26 -5.12 114.94 116.29 1wif s ASN 26 Ca 0.16 -1.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.07 1wif s ASN 26 Cb -0.18 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1wif s ASN 26 CO -0.09 -0.27 -0.07 -1.59 -1.51 0.00 0.00 177.10 173.57 1wif s LYS 27 N 1.39 2.37 0.31 -0.60 -2.85 -1.26 -5.13 119.74 113.97 1wif s LYS 27 Ca -0.03 -0.87 0.07 0.00 -1.00 0.00 0.00 55.97 54.15 1wif s LYS 27 Cb -0.19 -2.42 -0.03 0.00 -2.06 0.00 0.00 37.83 33.14 1wif s LYS 27 CO -0.08 0.55 0.25 0.14 0.10 0.00 0.00 175.35 176.32 1wif s VAL 28 N -1.12 3.75 -0.24 1.79 -7.23 -1.26 -4.81 120.40 111.28 1wif s VAL 28 Ca 0.20 -1.40 -0.20 0.00 -1.81 0.00 0.00 61.98 58.76 1wif s VAL 28 Cb -0.11 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 1wif s VAL 28 CO 0.11 -0.23 0.62 -0.63 -0.31 0.00 0.00 175.10 174.67 1wif s ILE 29 N -2.27 5.00 -0.11 -0.62 -1.09 0.11 -4.95 121.20 117.27 1wif s ILE 29 Ca 0.38 1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 59.88 1wif s ILE 29 Cb -0.06 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1wif s ILE 29 CO 0.26 0.05 0.22 0.00 -1.23 0.00 0.00 174.94 174.23 1wif s GLN 30 N 2.36 0.10 0.05 2.79 -2.07 -1.26 -0.16 119.66 121.46 1wif s GLN 30 Ca 0.26 0.66 -0.06 0.00 -1.82 0.00 0.00 55.36 54.40 1wif s GLN 30 Cb -0.16 -0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 31.59 1wif s GLN 30 CO 0.09 -0.30 0.11 -0.08 -1.32 0.00 0.00 175.29 173.79 1wif s THR 31 N 2.36 0.14 -0.38 3.63 -1.32 -1.21 -4.96 115.64 113.90 1wif s THR 31 Ca 0.02 -1.13 -0.16 0.00 -1.21 0.00 0.00 61.69 59.21 1wif s THR 31 Cb -0.12 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 1wif s THR 31 CO -0.07 -0.62 0.41 -0.54 -2.21 0.00 0.00 174.62 171.58 1wif s LYS 32 N -2.87 3.33 -0.15 7.08 3.01 -1.26 -2.63 119.74 126.25 1wif s LYS 32 Ca -0.03 -0.57 -0.15 0.00 -1.01 0.00 0.00 55.97 54.21 1wif s LYS 32 Cb 0.00 -3.89 -0.04 0.00 -1.01 0.00 0.00 37.83 32.89 1wif s LYS 32 CO -0.06 -0.69 0.36 -0.51 0.51 0.00 0.00 175.35 174.96 1wif s LEU 33 N 2.10 4.25 -0.92 3.17 1.43 -1.24 -4.92 118.68 122.54 1wif s LEU 33 Ca 0.12 0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 53.59 1wif s LEU 33 Cb -0.17 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.62 1wif s LEU 33 CO 0.13 0.05 1.35 -0.89 0.23 0.00 0.00 176.35 177.22 1wif s THR 34 N 0.58 3.96 0.37 5.49 2.01 -1.26 -4.17 115.64 122.61 1wif s THR 34 Ca 0.20 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 1wif s THR 34 Cb -0.14 -4.98 -0.16 0.00 0.01 0.00 0.00 72.50 67.24 1wif s THR 34 CO 0.06 -1.86 0.19 0.52 -0.69 0.00 0.00 174.62 172.85 1wif n VAL 35 N 6.58 0.95 -4.12 3.82 0.31 -1.23 -4.59 118.33 120.05 1wif n VAL 35 Ca 0.22 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 1wif n VAL 35 Cb 0.50 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 33.35 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 2.49 0.63 2.92 0.00 -1.26 -2.13 107.32 108.96 1wif s GLY 36 Ca 0.60 -1.35 0.32 0.00 0.00 0.00 0.00 44.72 44.30 1wif s GLY 36 CO 0.61 -1.97 2.09 3.43 0.00 0.00 0.00 173.10 177.26 1wif h ASN 37 N 1.08 0.00 -0.01 1.64 2.35 -1.93 0.28 115.58 118.98 1wif h ASN 37 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1wif h ASN 37 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1wif h ASN 37 CO 0.64 0.00 -0.17 0.18 -1.65 0.00 0.00 177.43 176.43 1wif n LEU 38 N -3.38 1.77 -1.68 1.61 4.77 -1.26 -5.03 117.00 113.80 1wif n LEU 38 Ca 0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1wif n LEU 38 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1wif n LEU 38 CO 0.22 0.33 -0.49 0.61 -1.33 0.00 0.00 177.39 176.73 1wif n GLY 39 N 0.96 -4.64 3.42 -0.72 0.00 0.98 -4.55 105.19 100.64 1wif n GLY 39 Ca 0.07 -0.70 -0.48 0.00 0.00 0.00 0.00 46.02 44.91 1wif n GLY 39 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 40 N -1.18 1.04 -1.16 0.99 -0.00 -1.26 -4.76 117.00 110.67 1wif n LEU 40 Ca 0.00 0.28 0.06 0.00 -0.00 0.00 0.00 56.01 56.36 1wif n LEU 40 Cb 0.08 -1.07 0.24 0.00 -0.00 0.00 0.00 43.42 42.68 1wif n LEU 40 CO 0.00 -0.84 0.67 0.61 -0.00 0.00 0.00 177.39 177.83 1wif n GLY 41 N 6.73 1.88 0.95 1.47 0.00 -1.26 -5.00 105.19 109.97 1wif n GLY 41 Ca 0.54 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 0.64 0.07 -3.69 0.99 -0.00 -1.26 -4.59 117.00 109.16 1wif n LEU 42 Ca 0.17 0.31 -0.42 0.00 -0.00 0.00 0.00 56.01 56.08 1wif n LEU 42 Cb 0.65 -0.24 -0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1wif n LEU 42 CO 0.16 -0.44 2.70 0.52 -0.00 0.00 0.00 177.39 180.33 1wif n VAL 43 N 0.56 3.64 -2.42 1.47 0.31 0.51 -4.88 118.33 117.52 1wif n VAL 43 Ca 0.06 -3.10 -0.32 0.00 -0.01 0.00 0.00 64.34 60.98 1wif n VAL 43 Cb 0.01 -2.58 -0.03 0.00 -0.91 0.00 0.00 33.84 30.33 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 2.81 4.59 0.48 2.52 0.11 -1.26 -2.24 120.40 127.40 1wif s VAL 44 Ca 0.49 1.08 0.03 0.00 -2.93 0.00 0.00 61.98 60.65 1wif s VAL 44 Cb 0.14 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 1wif s VAL 44 CO -0.08 -0.71 0.01 0.27 -3.33 0.00 0.00 175.10 171.26 1wif s ILE 45 N -2.64 1.45 -0.81 7.04 -4.36 -0.91 -4.81 121.20 116.15 1wif s ILE 45 Ca 0.57 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 1wif s ILE 45 Cb -0.10 -2.43 0.21 0.00 1.25 0.00 0.00 42.46 41.39 1wif s ILE 45 CO 0.34 0.00 0.74 -1.58 0.24 0.00 0.00 174.94 174.68 1wif s GLN 46 N -3.83 3.53 -0.57 0.37 -0.44 -1.26 -3.27 119.66 114.19 1wif s GLN 46 Ca 0.16 -2.47 0.01 0.00 -2.50 0.00 0.00 55.36 50.56 1wif s GLN 46 Cb 0.04 -4.38 0.14 0.00 -1.64 0.00 0.00 33.01 27.18 1wif s GLN 46 CO 0.08 -1.28 0.33 1.21 0.50 0.00 0.00 175.29 176.13 1wif s ASN 47 N 2.05 4.66 0.00 6.67 2.47 -1.24 -5.02 114.94 124.53 1wif s ASN 47 Ca 0.18 -2.98 0.00 0.00 0.42 0.00 0.00 52.86 50.48 1wif s ASN 47 Cb -0.11 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 1wif s ASN 47 CO -0.08 -0.28 0.00 0.61 -3.72 0.00 0.00 177.10 173.63 1wif n GLY 48 N 3.21 -1.91 0.00 1.21 0.00 -1.26 -4.10 105.19 102.35 1wif n GLY 48 Ca 0.06 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 0.46 -4.36 1.61 -0.04 -1.26 -4.72 135.00 126.69 1wif n PRO 49 Ca 0.00 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1wif n PRO 49 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.04 1.86 -0.49 0.54 2.02 -1.25 -3.88 117.35 114.10 1wif s TYR 50 Ca 0.23 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 56.22 1wif s TYR 50 Cb 0.11 -0.87 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1wif s TYR 50 CO 0.18 0.42 0.73 -0.51 -1.57 0.00 0.00 175.55 174.80 1wif s LEU 51 N -3.14 4.51 -0.38 -1.29 2.01 -1.26 -3.73 118.68 115.40 1wif s LEU 51 Ca 0.22 -0.49 -0.17 0.00 0.01 0.00 0.00 54.13 53.70 1wif s LEU 51 Cb -0.03 -2.70 0.00 0.00 0.01 0.00 0.00 46.19 43.47 1wif s LEU 51 CO 0.08 -0.94 0.45 -1.10 1.01 0.00 0.00 176.35 175.85 1wif s GLN 52 N 3.09 3.40 0.27 1.70 -0.21 -1.20 -3.67 119.66 123.04 1wif s GLN 52 Ca 0.23 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1wif s GLN 52 Cb -0.15 -3.87 -0.11 0.00 1.00 0.00 0.00 33.01 29.87 1wif s GLN 52 CO 0.17 -0.70 1.62 0.42 -2.12 0.00 0.00 175.29 174.68 1wif s ILE 53 N 2.21 2.07 -0.09 1.08 1.01 -1.22 -2.15 121.20 124.12 1wif s ILE 53 Ca 0.14 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.96 1wif s ILE 53 Cb -0.16 -3.04 -0.16 0.00 0.01 0.00 0.00 42.46 39.11 1wif s ILE 53 CO 0.13 0.01 0.11 -0.24 0.00 0.00 0.00 174.94 174.95 1wif n SER 54 N 2.56 2.11 -3.57 3.58 2.88 -1.08 -0.81 113.62 119.29 1wif n SER 54 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1wif n SER 54 Cb 0.37 1.03 -0.05 0.00 -0.75 0.00 0.00 64.21 64.80 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 -2.46 -0.46 -0.11 0.66 5.65 -0.95 -4.86 115.29 112.76 1wif s HIS 55 Ca -0.05 0.81 -0.04 0.00 0.25 0.00 0.00 55.06 56.03 1wif s HIS 55 Cb 0.05 0.43 -0.03 0.00 -1.18 0.00 0.00 32.58 31.84 1wif s HIS 55 CO 0.49 -0.40 0.03 -0.51 -0.65 0.00 0.00 174.74 173.70 1wif s LEU 56 N -1.02 3.73 -0.48 8.88 1.43 -1.26 0.19 118.68 130.16 1wif s LEU 56 Ca -0.04 0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.96 1wif s LEU 56 Cb -0.01 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1wif s LEU 56 CO 0.03 0.34 1.60 -0.63 0.23 0.00 0.00 176.35 177.92 1wif s ILE 57 N -0.66 3.65 0.35 -0.59 1.09 -1.26 -4.80 121.20 118.97 1wif s ILE 57 Ca 0.11 0.59 0.15 0.00 -1.10 0.00 0.00 60.65 60.40 1wif s ILE 57 Cb -0.12 -4.09 0.35 0.00 -1.06 0.00 0.00 42.46 37.55 1wif s ILE 57 CO 0.02 -0.83 1.61 -1.13 -0.10 0.00 0.00 174.94 174.50 1wif h ASN 58 N 12.21 0.23 -0.25 3.58 -1.24 -1.97 1.62 115.58 129.76 1wif h ASN 58 Ca -0.29 0.24 -0.14 0.00 0.71 0.00 0.00 56.30 56.83 1wif h ASN 58 Cb 1.13 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 40.37 1wif h ASN 58 CO 1.13 -0.33 0.18 0.29 -1.29 0.00 0.00 177.43 177.41 1wif n LYS 59 N -5.24 1.34 -1.36 6.67 4.76 -1.26 -4.62 118.16 118.45 1wif n LYS 59 Ca 0.33 -0.78 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1wif n LYS 59 Cb 1.09 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.98 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 0.24 5.27 0.10 0.72 0.00 0.55 -4.85 105.19 107.22 1wif n GLY 60 Ca 0.15 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 1.39 -0.07 4.61 0.00 -1.26 -4.05 120.51 118.13 1wif n ALA 61 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1wif n ALA 61 Cb 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 0.75 0.30 -0.83 0.00 0.00 -1.93 -2.92 119.26 114.63 1wif h ALA 62 Ca -0.41 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.27 1wif h ALA 62 Cb 2.07 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1wif h ALA 62 CO 0.05 0.18 0.54 0.00 0.00 0.00 0.00 179.25 180.02 1wif h ALA 63 N 0.67 1.70 -0.12 0.00 0.00 -1.76 0.27 119.26 120.03 1wif h ALA 63 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wif h ALA 63 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wif h ALA 63 CO 0.04 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.85 1wif n SER 64 N -4.51 0.83 -4.36 0.00 7.64 -1.17 -4.73 113.62 107.32 1wif n SER 64 Ca 0.14 -1.75 -0.37 0.00 1.01 0.00 0.00 58.87 57.89 1wif n SER 64 Cb 0.31 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.32 5.16 -0.06 6.43 -1.08 0.94 -4.97 116.67 121.76 1wif s ASP 65 Ca 0.22 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1wif s ASP 65 Cb 0.11 -1.89 0.06 0.00 -1.46 0.00 0.00 42.92 39.74 1wif s ASP 65 CO 0.17 -0.18 1.54 0.61 0.52 0.00 0.00 175.17 177.83 1wif n GLY 66 N 4.88 2.56 0.60 2.66 0.00 -1.26 -3.63 105.19 111.00 1wif n GLY 66 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.77 0.00 -3.10 -0.61 2.08 -1.26 -5.03 119.36 112.21 1wif n ILE 67 Ca 0.07 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.98 1wif n ILE 67 Cb 0.57 -0.81 -0.05 0.00 -0.75 0.00 0.00 39.64 38.60 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 -5.12 4.24 0.12 1.39 1.43 -1.24 -4.98 118.68 114.52 1wif s LEU 68 Ca 0.00 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1wif s LEU 68 Cb 0.00 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1wif s LEU 68 CO 0.00 -0.18 -0.11 0.00 0.23 0.00 0.00 176.35 176.30 1wif s GLN 69 N 1.27 2.06 -1.16 1.70 -2.07 -1.26 -4.91 119.66 115.29 1wif s GLN 69 Ca 0.33 -1.10 -0.23 0.00 -1.82 0.00 0.00 55.36 52.54 1wif s GLN 69 Cb -0.17 -2.25 -0.08 0.00 -1.09 0.00 0.00 33.01 29.42 1wif s GLN 69 CO 0.14 0.49 1.94 -1.25 -1.32 0.00 0.00 175.29 175.28 1wif s PRO 70 N -2.34 2.50 0.00 9.60 0.04 -1.26 -3.43 135.00 140.12 1wif s PRO 70 Ca 0.22 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1wif s PRO 70 Cb -0.11 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wif s PRO 70 CO 0.14 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.66 1wif n GLY 71 N 5.90 0.00 1.63 0.56 0.00 0.01 -4.54 105.19 108.76 1wif n GLY 71 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 1.58 -3.68 1.61 5.68 -1.22 -4.85 116.55 115.67 1wif n ASP 72 Ca 0.00 -1.78 -0.30 0.00 -0.50 0.00 0.00 54.79 52.22 1wif n ASP 72 Cb 0.00 -0.05 -0.13 0.00 -1.14 0.00 0.00 41.12 39.80 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1wif s VAL 73 N -1.04 1.08 0.39 2.12 1.01 -1.19 -3.43 120.40 119.34 1wif s VAL 73 Ca 0.16 -2.11 -0.25 0.00 0.00 0.00 0.00 61.98 59.78 1wif s VAL 73 Cb -0.01 -1.78 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 1wif s VAL 73 CO 0.10 -0.85 1.03 0.18 0.00 0.00 0.00 175.10 175.57 1wif n LEU 74 N 3.99 2.54 -0.04 3.92 7.99 -1.24 -2.86 117.00 131.30 1wif n LEU 74 Ca 0.06 1.08 0.01 0.00 -0.01 0.00 0.00 56.01 57.14 1wif n LEU 74 Cb 0.37 -1.35 0.01 0.00 -0.11 0.00 0.00 43.42 42.33 1wif n LEU 74 CO 0.19 -1.37 0.37 -0.38 -1.51 0.00 0.00 177.39 174.69 1wif n ILE 75 N -0.28 0.52 0.00 -0.08 5.41 0.29 -4.12 119.36 121.10 1wif n ILE 75 Ca 0.09 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1wif n ILE 75 Cb 0.38 0.68 0.00 0.00 -0.71 0.00 0.00 39.64 39.99 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 -0.29 0.00 -4.52 4.38 3.41 -1.26 -4.27 113.62 111.08 1wif n SER 76 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1wif n SER 76 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 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 4.09 -0.16 -3.33 1.01 -1.04 -4.05 120.40 116.92 1wif s VAL 77 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1wif s VAL 77 Cb 0.00 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.63 1wif s VAL 77 CO 0.00 -1.51 0.13 0.61 0.00 0.00 0.00 175.10 174.34 1wif n GLY 78 N 5.26 0.54 2.17 4.51 0.00 -1.23 -3.48 105.19 112.97 1wif n GLY 78 Ca 0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 -0.27 -3.91 1.61 -0.00 -1.26 -4.87 115.22 104.86 1wif n HIS 79 Ca -0.02 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.84 1wif n HIS 79 Cb 0.52 -2.15 -0.13 0.00 -0.12 0.00 0.00 29.99 28.10 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 -1.60 3.24 -0.92 1.57 0.00 -1.23 -5.03 121.76 117.79 1wif s ALA 80 Ca 0.00 -3.03 -0.17 0.00 0.00 0.00 0.00 51.96 48.76 1wif s ALA 80 Cb 0.00 -2.22 -0.26 0.00 0.00 0.00 0.00 23.12 20.64 1wif s ALA 80 CO 0.00 -1.93 2.30 -1.71 0.00 0.00 0.00 175.76 174.41 1wif n ASN 81 N 3.59 -0.20 -0.26 0.00 2.85 -1.26 -2.51 115.26 117.47 1wif n ASN 81 Ca 0.05 -0.72 0.06 0.00 -0.11 0.00 0.00 54.58 53.85 1wif n ASN 81 Cb 0.36 -0.93 0.24 0.00 1.24 0.00 0.00 39.78 40.69 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 6.74 0.15 -0.30 3.44 0.24 -1.26 -4.31 118.33 123.03 1wif n VAL 82 Ca 0.61 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.34 62.69 1wif n VAL 82 Cb 0.23 0.05 0.02 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.91 -1.36 -3.74 1.34 6.46 -1.77 0.33 115.31 117.48 1wif h LEU 83 Ca 0.00 0.28 -0.45 0.00 -0.12 0.00 0.00 57.88 57.58 1wif h LEU 83 Cb 0.20 0.69 -0.26 0.00 -0.73 0.00 0.00 40.66 40.57 1wif h LEU 83 CO 0.00 -0.30 0.21 0.61 -0.62 0.00 0.00 178.44 178.35 1wif n GLY 84 N -1.45 5.34 3.66 3.75 0.00 -1.25 -3.89 105.19 111.35 1wif n GLY 84 Ca 0.07 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.48 3.38 0.33 1.61 1.51 0.11 -5.02 117.35 115.79 1wif s TYR 85 Ca 0.54 0.91 -0.27 0.00 -1.01 0.00 0.00 57.07 57.24 1wif s TYR 85 Cb 0.45 -2.78 -0.09 0.00 -0.11 0.00 0.00 41.96 39.43 1wif s TYR 85 CO 0.03 -0.16 1.06 0.95 -1.11 0.00 0.00 175.55 176.31 1wif s THR 86 N 1.87 3.64 0.38 -0.71 -4.23 -1.26 -4.44 115.64 110.90 1wif s THR 86 Ca 0.28 1.46 0.29 0.00 -1.18 0.00 0.00 61.69 62.54 1wif s THR 86 Cb -0.16 -3.85 0.44 0.00 1.34 0.00 0.00 72.50 70.27 1wif s THR 86 CO 0.10 0.20 1.32 -0.11 -0.54 0.00 0.00 174.62 175.59 1wif n LEU 87 N 0.62 0.16 0.03 4.79 7.94 -1.26 0.26 117.00 129.53 1wif n LEU 87 Ca 0.02 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.86 1wif n LEU 87 Cb 0.47 -0.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.76 1wif n LEU 87 CO 0.49 -1.23 0.15 0.03 -1.11 0.00 0.00 177.39 175.73 1wif h ARG 88 N 0.00 0.60 -0.10 1.96 -0.00 -1.99 -2.63 114.38 112.22 1wif h ARG 88 Ca 0.75 -0.64 -0.12 0.00 -0.50 0.00 0.00 59.98 59.47 1wif h ARG 88 Cb 2.48 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 32.61 1wif h ARG 88 CO -0.35 1.24 -0.49 0.93 0.00 0.00 0.00 179.97 181.30 1wif h GLU 89 N 0.21 0.25 -0.01 0.04 4.39 0.32 -2.83 114.58 116.95 1wif h GLU 89 Ca -0.11 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1wif h GLU 89 Cb 1.54 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1wif h GLU 89 CO 0.17 0.69 -0.01 0.35 -1.16 0.00 0.00 179.01 179.05 1wif h PHE 90 N 0.20 0.03 -0.42 4.33 3.57 -0.33 -1.64 116.94 122.67 1wif h PHE 90 Ca 0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1wif h PHE 90 Cb 0.94 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1wif h PHE 90 CO 0.02 0.46 0.28 -0.07 -2.23 0.00 0.00 178.31 176.77 1wif h LEU 91 N -0.42 0.25 -0.22 0.59 -0.00 -1.47 -0.28 115.31 113.77 1wif h LEU 91 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.72 1wif h LEU 91 Cb 0.45 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1wif h LEU 91 CO 0.00 0.16 -0.79 0.07 -0.00 0.00 0.00 178.44 177.89 1wif h LYS 92 N 0.28 0.00 0.33 1.13 5.09 -1.40 -3.13 116.57 118.87 1wif h LYS 92 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.91 1wif h LYS 92 Cb 0.38 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.71 1wif h LYS 92 CO -0.04 0.79 -0.16 1.25 -2.09 0.00 0.00 179.45 179.20 1wif h LEU 93 N 0.00 -0.38 -1.95 7.07 5.85 -0.04 -3.01 115.31 122.85 1wif h LEU 93 Ca -0.01 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.95 1wif h LEU 93 Cb 1.50 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 1wif h LEU 93 CO 0.10 -0.24 0.56 -0.07 -0.34 0.00 0.00 178.44 178.45 1wif h LEU 94 N -0.50 0.04 0.00 2.25 4.07 -1.64 0.47 115.31 120.00 1wif h LEU 94 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1wif h LEU 94 Cb 0.34 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1wif h LEU 94 CO 0.07 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1wif n GLN 95 N -4.33 0.04 0.00 1.13 1.13 -1.14 -0.42 117.38 113.80 1wif n GLN 95 Ca 0.16 0.30 0.06 0.00 -1.94 0.00 0.00 57.00 55.58 1wif n GLN 95 Cb 0.83 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.65 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 -1.35 1.09 -4.81 1.08 3.02 0.16 -5.01 115.26 109.44 1wif n ASN 96 Ca 0.02 -1.04 -0.32 0.00 -0.03 0.00 0.00 54.58 53.20 1wif n ASN 96 Cb 0.03 0.69 0.03 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.87 3.97 0.12 2.41 -1.09 0.44 -5.06 121.20 120.13 1wif s ILE 97 Ca 0.08 0.78 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 1wif s ILE 97 Cb 0.10 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1wif s ILE 97 CO 0.41 -0.70 0.13 -0.89 -1.23 0.00 0.00 174.94 172.66 1wif s THR 98 N -2.76 4.62 0.68 2.92 2.01 -1.26 -5.07 115.64 116.78 1wif s THR 98 Ca 0.60 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 1wif s THR 98 Cb -0.15 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1wif s THR 98 CO 0.46 -0.00 1.25 -0.63 -0.69 0.00 0.00 174.62 175.00 1wif s ILE 99 N -1.59 2.19 -1.28 1.82 1.01 -1.26 -3.40 121.20 118.68 1wif s ILE 99 Ca 0.31 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 1wif s ILE 99 Cb -0.11 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1wif s ILE 99 CO 0.23 -0.04 0.76 0.61 0.00 0.00 0.00 174.94 176.51 1wif n GLY 100 N 0.66 -0.33 3.32 6.18 0.00 -0.91 -4.95 105.19 109.17 1wif n GLY 100 Ca 0.15 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.60 2.47 -0.49 2.61 2.01 -1.22 -4.90 115.64 112.52 1wif s THR 101 Ca 0.01 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 1wif s THR 101 Cb -0.00 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1wif s THR 101 CO 0.80 0.56 0.77 -0.69 -0.69 0.00 0.00 174.62 175.37 1wif s VAL 102 N -0.06 4.65 0.18 3.82 1.01 -1.26 -3.47 120.40 125.28 1wif s VAL 102 Ca -0.05 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1wif s VAL 102 Cb -0.14 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1wif s VAL 102 CO 0.04 -0.85 -0.15 -0.76 0.00 0.00 0.00 175.10 173.39 1wif s LEU 103 N 3.26 2.78 -0.48 3.92 2.01 -1.26 -5.02 118.68 123.89 1wif s LEU 103 Ca 0.25 -0.67 -0.15 0.00 0.01 0.00 0.00 54.13 53.57 1wif s LEU 103 Cb -0.14 -1.49 0.08 0.00 0.01 0.00 0.00 46.19 44.65 1wif s LEU 103 CO 0.18 0.11 0.39 -1.58 1.01 0.00 0.00 176.35 176.47 1wif s GLN 104 N -2.73 2.92 -0.69 1.70 0.74 -1.26 -3.66 119.66 116.68 1wif s GLN 104 Ca 0.23 -1.43 -0.18 0.00 0.05 0.00 0.00 55.36 54.03 1wif s GLN 104 Cb -0.09 -4.11 0.12 0.00 1.10 0.00 0.00 33.01 30.04 1wif s GLN 104 CO 0.13 -1.07 0.81 0.42 -0.55 0.00 0.00 175.29 175.03 1wif s ILE 105 N 1.60 4.89 -0.25 -2.34 -1.09 -1.08 -3.51 121.20 119.41 1wif s ILE 105 Ca 0.04 -1.28 -0.15 0.00 -2.23 0.00 0.00 60.65 57.03 1wif s ILE 105 Cb -0.25 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 1wif s ILE 105 CO 0.05 -1.21 0.37 -0.75 -1.23 0.00 0.00 174.94 172.18 1wif s LYS 106 N 2.41 4.05 0.02 2.79 2.20 -1.26 -3.28 119.74 126.68 1wif s LYS 106 Ca 0.17 0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 1wif s LYS 106 Cb -0.18 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 1wif s LYS 106 CO 0.01 -0.22 0.05 0.00 -0.36 0.00 0.00 175.35 174.84 1wif s ALA 107 N 1.88 -0.03 -0.07 3.13 0.00 0.77 0.11 121.76 127.54 1wif s ALA 107 Ca 0.16 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1wif s ALA 107 Cb -0.15 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1wif s ALA 107 CO 0.09 -0.23 0.48 0.71 0.00 0.00 0.00 175.76 176.81 1wif s TYR 108 N -1.90 3.59 -0.53 0.00 2.02 -1.13 -0.71 117.35 118.67 1wif s TYR 108 Ca -0.11 0.96 -0.00 0.00 -0.37 0.00 0.00 57.07 57.54 1wif s TYR 108 Cb -0.06 -2.50 0.44 0.00 -0.40 0.00 0.00 41.96 39.44 1wif s TYR 108 CO -0.02 0.31 1.98 -2.13 -1.57 0.00 0.00 175.55 174.11 1wif n ARG 109 N 3.10 2.37 0.00 -0.62 0.63 -1.26 -3.18 116.66 117.70 1wif n ARG 109 Ca -0.09 -2.80 0.00 0.00 -0.92 0.00 0.00 57.85 54.05 1wif n ARG 109 Cb 0.52 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.33 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 -0.69 0.00 0.20 5.14 0.00 -1.26 -5.05 105.19 103.53 1wif n GLY 110 Ca 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.73 1.61 7.35 -1.26 -4.93 117.46 116.50 1wif n PHE 111 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 1wif n PHE 111 Cb 0.00 -0.52 -0.12 0.00 0.35 0.00 0.00 39.48 39.19 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 -7.74 4.15 0.69 -2.13 2.96 -1.26 -5.09 118.68 110.26 1wif s LEU 112 Ca -0.27 -0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 52.58 1wif s LEU 112 Cb 0.05 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1wif s LEU 112 CO 0.39 -0.27 1.25 -1.61 -1.32 0.00 0.00 176.35 174.80 1wif s GLU 113 N 1.48 2.31 -0.04 1.98 2.02 -1.26 -4.89 118.70 120.29 1wif s GLU 113 Ca 0.01 1.92 -0.23 0.00 0.02 0.00 0.00 54.97 56.70 1wif s GLU 113 Cb -0.18 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1wif s GLU 113 CO 0.03 -1.75 0.67 0.42 0.02 0.00 0.00 175.26 174.66 1wif s ILE 114 N -1.69 4.99 -0.37 -1.63 1.01 -1.26 -5.01 121.20 117.25 1wif s ILE 114 Ca 0.79 1.40 -0.28 0.00 0.00 0.00 0.00 60.65 62.55 1wif s ILE 114 Cb -0.33 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1wif s ILE 114 CO 0.43 0.30 1.71 -2.16 0.00 0.00 0.00 174.94 175.22 1wif s PRO 115 N 0.49 3.36 0.29 2.79 0.04 -1.26 -4.88 135.00 135.83 1wif s PRO 115 Ca 0.36 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1wif s PRO 115 Cb -0.18 -4.17 0.71 0.00 0.04 0.00 0.00 34.50 30.90 1wif s PRO 115 CO 0.18 -1.83 1.76 1.96 0.04 0.00 0.00 177.00 179.11 1wif h GLN 116 N 12.45 0.68 -0.92 4.56 1.08 -1.95 -1.62 115.11 129.39 1wif h GLN 116 Ca -0.32 -0.04 0.21 0.00 -1.45 0.00 0.00 58.65 57.05 1wif h GLN 116 Cb 1.15 -0.15 -0.17 0.00 -0.05 0.00 0.00 27.48 28.26 1wif h GLN 116 CO 1.06 0.45 -0.14 0.39 -0.95 0.00 0.00 178.83 179.64 1wif n GLU 117 N -4.82 -0.08 0.00 1.46 4.71 -1.26 -1.42 120.64 119.23 1wif n GLU 117 Ca 0.22 1.41 0.00 0.00 -0.01 0.00 0.00 57.16 58.78 1wif n GLU 117 Cb 0.56 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1wif n TRP 118 N -5.44 0.00 -1.61 -0.32 7.02 -0.61 -4.62 117.44 111.86 1wif n TRP 118 Ca 0.17 0.00 -0.49 0.00 -1.02 0.00 0.00 57.50 56.16 1wif n TRP 118 Cb 0.55 -0.50 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 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 -2.24 1.41 0.17 -0.99 1.13 -0.51 -4.88 117.38 111.46 1wif n GLN 119 Ca 0.00 0.50 -0.14 0.00 -1.94 0.00 0.00 57.00 55.43 1wif n GLN 119 Cb 0.00 -2.12 -0.07 0.00 0.11 0.00 0.00 30.24 28.17 1wif n GLN 119 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1wif h ASP 120 N 4.31 -0.62 -2.77 1.08 1.82 -1.82 -3.44 116.42 114.99 1wif h ASP 120 Ca -0.45 0.06 -0.55 0.00 -0.39 0.00 0.00 57.03 55.69 1wif h ASP 120 Cb 1.32 0.21 0.22 0.00 0.68 0.00 0.00 39.33 41.76 1wif h ASP 120 CO 0.76 -0.34 -1.05 -1.20 -1.61 0.00 0.00 179.24 175.80 1wif n SER 121 N -5.36 -3.47 0.00 2.28 7.64 -1.26 -4.89 113.62 108.56 1wif n SER 121 Ca -0.08 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1wif n SER 121 Cb 0.27 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wif n GLY 122 N 2.32 0.42 3.52 0.23 0.00 -1.26 -4.94 105.19 105.48 1wif n GLY 122 Ca 0.04 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1wif n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 123 N 0.00 -3.15 0.00 1.61 -0.04 -1.26 -4.96 135.00 127.19 1wif n PRO 123 Ca 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1wif n PRO 123 Cb 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1wif n PRO 123 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wif n SER 124 N -4.88 0.00 -3.87 3.54 3.41 -1.26 -5.15 113.62 105.41 1wif n SER 124 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 1wif n SER 124 Cb 0.59 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.81 1wif n SER 124 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wif s SER 125 N 0.00 -0.03 0.00 4.04 0.15 -1.26 -5.36 113.70 111.24 1wif s SER 125 Ca 0.00 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1wif s SER 125 Cb 0.00 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1wif s SER 125 CO 0.00 -4.75 0.00 0.61 1.20 0.00 0.00 173.24 170.30