#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 0.16 0.26 1.61 0.01 -1.26 -5.18 113.70 109.30 1wif s SER 2 Ca 0.00 -1.19 0.09 0.00 1.31 0.00 0.00 55.95 56.17 1wif s SER 2 Cb 0.00 0.52 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 1wif s SER 2 CO 0.00 -1.05 -0.15 -0.44 0.41 0.00 0.00 173.24 172.02 1wif s SER 3 N -3.11 3.09 -0.29 2.44 0.01 -1.26 -5.13 113.70 109.45 1wif s SER 3 Ca 0.30 -1.07 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 1wif s SER 3 Cb 0.02 -0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.22 1wif s SER 3 CO 0.12 -0.12 0.80 -0.83 0.41 0.00 0.00 173.24 173.62 1wif s GLY 4 N -3.43 -1.10 0.33 3.44 0.00 -1.26 -5.13 107.32 100.17 1wif s GLY 4 Ca 0.27 1.57 -0.06 0.00 0.00 0.00 0.00 44.72 46.51 1wif s GLY 4 CO 0.11 3.87 0.50 -0.56 0.00 0.00 0.00 173.10 177.02 1wif s SER 5 N 2.89 0.62 0.46 1.64 0.01 -1.26 -5.16 113.70 112.89 1wif s SER 5 Ca 0.18 -1.35 0.03 0.00 1.31 0.00 0.00 55.95 56.12 1wif s SER 5 Cb -0.07 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 1wif s SER 5 CO -0.24 -1.30 0.05 -0.44 0.41 0.00 0.00 173.24 171.71 1wif s SER 6 N -3.18 3.57 0.00 2.44 0.01 -1.26 -4.98 113.70 110.30 1wif s SER 6 Ca 0.28 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1wif s SER 6 Cb -0.01 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1wif s SER 6 CO 0.17 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1wif n GLY 7 N -1.08 -2.72 3.40 3.44 0.00 -1.26 -4.68 105.19 102.28 1wif n GLY 7 Ca -0.12 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.87 -3.78 1.61 2.88 -1.22 -5.00 113.62 102.24 1wif n SER 8 Ca 0.00 0.02 -0.20 0.00 -1.33 0.00 0.00 58.87 57.36 1wif n SER 8 Cb 0.00 -1.81 -0.09 0.00 -0.75 0.00 0.00 64.21 61.57 1wif n SER 8 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wif s LYS 9 N -2.10 1.72 -0.57 -1.46 -0.14 -1.26 -5.05 119.74 110.88 1wif s LYS 9 Ca 0.29 -2.01 0.01 0.00 -1.36 0.00 0.00 55.97 52.90 1wif s LYS 9 Cb -0.03 -0.03 0.50 0.00 -1.68 0.00 0.00 37.83 36.59 1wif s LYS 9 CO 0.67 -0.54 1.90 -1.71 -0.76 0.00 0.00 175.35 174.91 1wif n ASN 10 N -1.24 6.30 -2.32 2.83 2.85 -1.26 -4.92 115.26 117.50 1wif n ASN 10 Ca 0.02 -3.75 -0.09 0.00 -0.11 0.00 0.00 54.58 50.65 1wif n ASN 10 Cb 0.64 -0.87 -0.01 0.00 1.24 0.00 0.00 39.78 40.78 1wif n ASN 10 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wif n GLU 11 N -0.96 0.57 -1.55 1.20 1.02 -1.26 -5.06 120.64 114.59 1wif n GLU 11 Ca 0.59 -1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 55.80 1wif n GLU 11 Cb 0.93 1.86 -0.09 0.00 -0.02 0.00 0.00 31.44 34.12 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wif n LYS 12 N -0.39 0.37 -2.48 3.49 4.01 -1.26 -4.79 118.16 117.10 1wif n LYS 12 Ca -0.01 -1.11 -0.05 0.00 -0.51 0.00 0.00 58.31 56.63 1wif n LYS 12 Cb 0.40 -3.65 -0.02 0.00 -0.51 0.00 0.00 35.03 31.25 1wif n LYS 12 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1wif n GLU 13 N 8.38 0.12 -4.87 1.97 4.71 -1.26 -5.14 120.64 124.56 1wif n GLU 13 Ca 0.45 -0.83 -0.26 0.00 -0.01 0.00 0.00 57.16 56.51 1wif n GLU 13 Cb 0.44 0.71 -0.16 0.00 -1.01 0.00 0.00 31.44 31.42 1wif n GLU 13 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1wif s GLN 14 N -2.31 1.57 -0.03 3.49 -1.52 -1.26 -5.02 119.66 114.57 1wif s GLN 14 Ca 0.10 -0.64 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 1wif s GLN 14 Cb 0.00 -1.47 0.01 0.00 -0.22 0.00 0.00 33.01 31.33 1wif s GLN 14 CO 0.07 0.35 0.12 -0.48 -0.25 0.00 0.00 175.29 175.10 1wif s LEU 15 N -0.30 1.56 0.09 2.90 -0.00 -1.26 -3.46 118.68 118.21 1wif s LEU 15 Ca 0.04 0.09 -0.26 0.00 -0.00 0.00 0.00 54.13 54.00 1wif s LEU 15 Cb -0.08 0.48 0.09 0.00 -0.00 0.00 0.00 46.19 46.68 1wif s LEU 15 CO 0.00 -0.15 1.12 -0.94 -0.00 0.00 0.00 176.35 176.39 1wif s SER 16 N -0.41 -0.07 0.18 1.48 1.04 -1.26 -4.98 113.70 109.68 1wif s SER 16 Ca -0.05 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1wif s SER 16 Cb -0.03 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1wif s SER 16 CO 0.00 -0.67 0.14 -0.75 0.98 0.00 0.00 173.24 172.95 1wif s LYS 17 N -2.56 2.90 -0.34 4.02 2.20 -1.26 -5.05 119.74 119.65 1wif s LYS 17 Ca 0.18 -0.90 0.14 0.00 -0.36 0.00 0.00 55.97 55.03 1wif s LYS 17 Cb 0.00 -2.63 0.43 0.00 -1.51 0.00 0.00 37.83 34.12 1wif s LYS 17 CO 0.01 0.47 1.24 0.00 -0.36 0.00 0.00 175.35 176.71 1wif n ALA 18 N -0.46 2.39 -1.95 3.13 0.00 -1.26 -5.13 120.51 117.23 1wif n ALA 18 Ca -0.08 -1.99 -0.26 0.00 0.00 0.00 0.00 53.44 51.11 1wif n ALA 18 Cb 0.55 -0.93 0.11 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.38 1.69 0.14 0.00 -0.14 -1.26 -5.11 119.74 113.67 1wif s LYS 19 Ca 0.22 -0.51 -0.25 0.00 -1.36 0.00 0.00 55.97 54.07 1wif s LYS 19 Cb 0.41 -2.13 0.07 0.00 -1.68 0.00 0.00 37.83 34.51 1wif s LYS 19 CO -0.05 -1.58 1.02 0.00 -0.76 0.00 0.00 175.35 173.98 1wif s ALA 20 N -3.38 -1.72 -0.34 5.17 0.00 -1.26 -5.06 121.76 115.17 1wif s ALA 20 Ca 0.65 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1wif s ALA 20 Cb -0.08 0.62 0.45 0.00 0.00 0.00 0.00 23.12 24.12 1wif s ALA 20 CO 0.47 -1.05 1.22 0.45 0.00 0.00 0.00 175.76 176.84 1wif n SER 21 N -0.60 5.03 -4.75 0.00 2.88 -1.26 -5.04 113.62 109.88 1wif n SER 21 Ca -0.06 -3.75 -0.26 0.00 -1.33 0.00 0.00 58.87 53.47 1wif n SER 21 Cb 0.61 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 1wif n SER 21 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wif s VAL 22 N -4.79 4.21 0.00 2.46 1.01 -1.26 -4.97 120.40 117.06 1wif s VAL 22 Ca 0.51 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1wif s VAL 22 Cb 0.41 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1wif s VAL 22 CO -0.01 -0.10 0.00 -1.20 0.00 0.00 0.00 175.10 173.79 1wif n SER 23 N -0.24 0.00 -2.50 3.32 7.64 -1.26 -5.05 113.62 115.53 1wif n SER 23 Ca -0.09 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 1wif n SER 23 Cb 0.55 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 24 N 0.00 3.14 -3.50 6.43 2.88 -1.26 -5.01 113.62 116.30 1wif n SER 24 Ca 0.00 -3.04 -0.11 0.00 -1.33 0.00 0.00 58.87 54.39 1wif n SER 24 Cb 0.00 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.52 -0.52 -0.25 2.46 1.43 -1.26 -5.12 118.68 111.90 1wif s LEU 25 Ca 0.38 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1wif s LEU 25 Cb 0.40 1.02 0.07 0.00 0.03 0.00 0.00 46.19 47.70 1wif s LEU 25 CO -0.04 -0.27 -0.02 0.54 0.23 0.00 0.00 176.35 176.79 1wif s ASN 26 N 2.52 3.93 -0.03 2.29 4.22 -1.26 -5.06 114.94 121.54 1wif s ASN 26 Ca 0.06 -1.33 0.05 0.00 -2.14 0.00 0.00 52.86 49.50 1wif s ASN 26 Cb -0.14 -1.16 -0.01 0.00 1.28 0.00 0.00 41.25 41.22 1wif s ASN 26 CO -0.13 -0.28 -0.18 -0.75 -2.04 0.00 0.00 177.10 173.72 1wif s LYS 27 N 1.39 1.73 -0.09 3.55 2.36 -1.26 -5.14 119.74 122.28 1wif s LYS 27 Ca -0.02 -0.65 -0.03 0.00 -2.55 0.00 0.00 55.97 52.72 1wif s LYS 27 Cb -0.19 -1.56 -0.03 0.00 -1.05 0.00 0.00 37.83 35.00 1wif s LYS 27 CO -0.09 0.32 0.02 0.08 1.55 0.00 0.00 175.35 177.23 1wif s VAL 28 N -0.17 4.49 -0.16 4.02 1.01 -1.26 -4.00 120.40 124.33 1wif s VAL 28 Ca 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1wif s VAL 28 Cb -0.10 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1wif s VAL 28 CO 0.01 0.61 0.15 -0.63 0.00 0.00 0.00 175.10 175.24 1wif s ILE 29 N -0.89 5.44 -0.18 2.22 -1.09 -0.08 -4.99 121.20 121.61 1wif s ILE 29 Ca 0.13 0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.73 1wif s ILE 29 Cb -0.11 -3.46 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1wif s ILE 29 CO 0.03 0.52 0.38 0.00 -1.23 0.00 0.00 174.94 174.64 1wif s GLN 30 N -0.30 0.28 0.05 2.79 -2.07 -1.26 -0.53 119.66 118.62 1wif s GLN 30 Ca 0.12 0.96 -0.06 0.00 -1.82 0.00 0.00 55.36 54.56 1wif s GLN 30 Cb -0.12 0.24 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1wif s GLN 30 CO 0.02 -0.27 0.12 -0.08 -1.32 0.00 0.00 175.29 173.76 1wif s THR 31 N 2.57 0.13 -0.30 3.63 -1.32 -1.16 -4.98 115.64 114.21 1wif s THR 31 Ca -0.01 -1.10 -0.14 0.00 -1.21 0.00 0.00 61.69 59.23 1wif s THR 31 Cb -0.12 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1wif s THR 31 CO -0.12 -0.61 0.32 -0.54 -2.21 0.00 0.00 174.62 171.47 1wif s LYS 32 N -2.83 3.80 -0.08 7.08 3.01 -1.26 -2.48 119.74 126.98 1wif s LYS 32 Ca -0.03 -0.25 -0.13 0.00 -1.01 0.00 0.00 55.97 54.55 1wif s LYS 32 Cb 0.00 -3.72 -0.05 0.00 -1.01 0.00 0.00 37.83 33.05 1wif s LYS 32 CO -0.06 -0.36 0.32 -0.51 0.51 0.00 0.00 175.35 175.25 1wif s LEU 33 N 1.97 4.38 -0.84 3.17 1.43 -1.24 -4.96 118.68 122.58 1wif s LEU 33 Ca 0.12 0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 1wif s LEU 33 Cb -0.16 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.75 1wif s LEU 33 CO 0.11 0.26 1.08 -0.89 0.23 0.00 0.00 176.35 177.14 1wif s THR 34 N -0.54 4.58 -0.45 5.49 2.01 -1.26 -4.23 115.64 121.23 1wif s THR 34 Ca 0.20 -1.16 -0.45 0.00 0.31 0.00 0.00 61.69 60.59 1wif s THR 34 Cb -0.15 -4.75 -0.19 0.00 0.01 0.00 0.00 72.50 67.42 1wif s THR 34 CO 0.08 -1.50 1.67 0.52 -0.69 0.00 0.00 174.62 174.70 1wif n VAL 35 N 5.69 0.07 -2.30 3.82 0.31 -1.26 -4.55 118.33 120.11 1wif n VAL 35 Ca 0.15 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1wif n VAL 35 Cb 0.48 -0.68 0.15 0.00 -0.91 0.00 0.00 33.84 32.88 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 3.34 1.77 0.37 2.92 0.00 -1.26 -1.63 107.32 112.83 1wif s GLY 36 Ca 1.04 -1.53 0.17 0.00 0.00 0.00 0.00 44.72 44.40 1wif s GLY 36 CO 0.77 -0.86 1.73 3.43 0.00 0.00 0.00 173.10 178.18 1wif h ASN 37 N -1.05 0.50 0.01 1.64 2.35 -1.93 0.51 115.58 117.61 1wif h ASN 37 Ca -0.40 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1wif h ASN 37 Cb 1.25 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1wif h ASN 37 CO 0.38 0.04 -0.85 0.18 -1.65 0.00 0.00 177.43 175.53 1wif n LEU 38 N -4.75 1.26 -0.91 1.61 4.32 -1.26 -4.92 117.00 112.35 1wif n LEU 38 Ca 0.28 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1wif n LEU 38 Cb 0.91 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.70 1wif n LEU 38 CO 0.21 0.28 -0.27 0.61 -1.22 0.00 0.00 177.39 177.00 1wif n GLY 39 N 1.48 -3.80 3.49 -0.72 0.00 0.18 -4.63 105.19 101.19 1wif n GLY 39 Ca 0.05 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.34 1.12 -1.91 0.99 -0.00 -1.26 -4.76 117.00 109.84 1wif n LEU 40 Ca 0.00 0.04 -0.14 0.00 -0.00 0.00 0.00 56.01 55.91 1wif n LEU 40 Cb 0.09 -1.15 0.18 0.00 -0.00 0.00 0.00 43.42 42.54 1wif n LEU 40 CO 0.00 -0.98 1.05 0.61 -0.00 0.00 0.00 177.39 178.08 1wif n GLY 41 N 6.43 3.72 2.00 1.47 0.00 -1.26 -5.00 105.19 112.55 1wif n GLY 41 Ca 0.54 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.55 -0.02 -3.82 0.99 -0.00 -1.26 -4.53 117.00 107.82 1wif n LEU 42 Ca 0.43 0.66 -0.42 0.00 -0.00 0.00 0.00 56.01 56.68 1wif n LEU 42 Cb 1.35 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 44.25 1wif n LEU 42 CO 0.44 -1.10 2.49 0.52 -0.00 0.00 0.00 177.39 179.74 1wif n VAL 43 N 0.84 3.66 -2.31 1.47 0.31 0.55 -4.88 118.33 117.98 1wif n VAL 43 Ca 0.11 -3.36 -0.31 0.00 -0.01 0.00 0.00 64.34 60.77 1wif n VAL 43 Cb 0.05 -2.54 -0.02 0.00 -0.91 0.00 0.00 33.84 30.41 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 2.71 4.64 0.52 2.52 0.11 -1.26 -2.00 120.40 127.63 1wif s VAL 44 Ca 0.46 0.99 0.01 0.00 -2.93 0.00 0.00 61.98 60.51 1wif s VAL 44 Cb 0.12 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 1wif s VAL 44 CO -0.06 -0.81 0.00 0.27 -3.33 0.00 0.00 175.10 171.17 1wif s ILE 45 N -2.77 1.08 -0.74 7.04 -4.36 -1.01 -4.81 121.20 115.63 1wif s ILE 45 Ca 0.56 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 1wif s ILE 45 Cb -0.10 -2.08 0.19 0.00 1.25 0.00 0.00 42.46 41.72 1wif s ILE 45 CO 0.39 0.00 0.66 -1.58 0.24 0.00 0.00 174.94 174.65 1wif s GLN 46 N -3.90 3.32 -0.43 0.37 -0.44 -1.26 -3.46 119.66 113.86 1wif s GLN 46 Ca 0.03 -2.31 0.03 0.00 -2.50 0.00 0.00 55.36 50.61 1wif s GLN 46 Cb 0.01 -4.30 0.12 0.00 -1.64 0.00 0.00 33.01 27.20 1wif s GLN 46 CO 0.01 -1.28 0.17 1.21 0.50 0.00 0.00 175.29 175.90 1wif s ASN 47 N 2.25 4.62 0.00 6.67 2.47 -1.25 -5.01 114.94 124.69 1wif s ASN 47 Ca 0.15 -2.55 0.00 0.00 0.42 0.00 0.00 52.86 50.88 1wif s ASN 47 Cb -0.15 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1wif s ASN 47 CO -0.06 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 1wif n GLY 48 N 3.74 -1.98 0.00 1.21 0.00 -1.26 -3.96 105.19 102.95 1wif n GLY 48 Ca 0.04 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.69 1wif n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 49 N 0.00 0.34 -4.35 1.61 -0.04 -1.26 -4.71 135.00 126.59 1wif n PRO 49 Ca 0.00 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1wif n PRO 49 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -2.31 1.94 -0.50 0.54 2.02 -1.25 -4.08 117.35 113.71 1wif s TYR 50 Ca 0.18 -0.43 -0.25 0.00 -0.37 0.00 0.00 57.07 56.20 1wif s TYR 50 Cb 0.10 -0.99 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1wif s TYR 50 CO 0.20 0.34 0.94 -0.51 -1.57 0.00 0.00 175.55 174.96 1wif s LEU 51 N -2.49 4.02 -0.33 -1.29 2.01 -1.26 -3.77 118.68 115.57 1wif s LEU 51 Ca 0.15 -0.08 -0.16 0.00 0.01 0.00 0.00 54.13 54.05 1wif s LEU 51 Cb -0.07 -3.04 -0.01 0.00 0.01 0.00 0.00 46.19 43.08 1wif s LEU 51 CO 0.07 -1.14 0.38 -1.10 1.01 0.00 0.00 176.35 175.57 1wif s GLN 52 N 3.88 3.62 0.33 1.70 -0.21 -1.22 -3.68 119.66 124.08 1wif s GLN 52 Ca 0.34 -0.33 -0.29 0.00 0.02 0.00 0.00 55.36 55.10 1wif s GLN 52 Cb -0.11 -3.79 -0.12 0.00 1.00 0.00 0.00 33.01 30.00 1wif s GLN 52 CO 0.23 -0.51 1.52 -0.89 -2.12 0.00 0.00 175.29 173.52 1wif n ILE 53 N 5.25 1.53 -0.04 1.08 5.41 -1.20 -2.41 119.36 128.99 1wif n ILE 53 Ca -0.08 -0.38 -0.04 0.00 1.00 0.00 0.00 62.75 63.24 1wif n ILE 53 Cb 0.49 -1.92 -0.05 0.00 -0.71 0.00 0.00 39.64 37.46 1wif n ILE 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1wif n SER 54 N 1.29 3.31 -3.53 4.38 2.88 -1.15 -1.20 113.62 119.60 1wif n SER 54 Ca 0.05 -0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.41 1wif n SER 54 Cb 0.37 0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 64.34 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 -2.17 -0.63 -0.11 0.66 5.65 -0.85 -4.81 115.29 113.04 1wif s HIS 55 Ca -0.04 1.08 -0.02 0.00 0.25 0.00 0.00 55.06 56.33 1wif s HIS 55 Cb 0.02 0.41 -0.03 0.00 -1.18 0.00 0.00 32.58 31.81 1wif s HIS 55 CO 0.27 -0.58 -0.04 -0.51 -0.65 0.00 0.00 174.74 173.23 1wif s LEU 56 N -1.19 3.31 -0.46 8.88 1.43 -1.26 0.21 118.68 129.60 1wif s LEU 56 Ca -0.10 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1wif s LEU 56 Cb -0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1wif s LEU 56 CO 0.09 0.29 1.70 -0.63 0.23 0.00 0.00 176.35 178.03 1wif s ILE 57 N -0.39 3.56 0.31 -0.59 1.09 -1.26 -4.80 121.20 119.12 1wif s ILE 57 Ca 0.06 0.50 0.04 0.00 -1.10 0.00 0.00 60.65 60.16 1wif s ILE 57 Cb -0.12 -3.94 0.39 0.00 -1.06 0.00 0.00 42.46 37.73 1wif s ILE 57 CO 0.02 -0.73 1.58 -1.13 -0.10 0.00 0.00 174.94 174.58 1wif h ASN 58 N 12.87 -0.32 -0.16 3.58 -1.24 -1.97 0.49 115.58 128.83 1wif h ASN 58 Ca -0.29 0.27 -0.16 0.00 0.71 0.00 0.00 56.30 56.83 1wif h ASN 58 Cb 1.14 0.43 -0.06 0.00 0.73 0.00 0.00 38.32 40.57 1wif h ASN 58 CO 1.12 -0.35 -0.06 0.29 -1.29 0.00 0.00 177.43 177.15 1wif n LYS 59 N -5.43 1.60 -1.12 6.67 4.76 -1.26 -4.68 118.16 118.70 1wif n LYS 59 Ca 0.25 -0.78 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 1wif n LYS 59 Cb 0.82 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 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 1.67 4.60 0.10 0.72 0.00 0.17 -4.82 105.19 107.63 1wif n GLY 60 Ca 0.24 -1.58 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 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 1.00 0.24 -0.63 4.61 0.00 -1.80 -3.35 119.26 119.33 1wif h ALA 61 Ca 0.00 -1.13 0.11 0.00 0.00 0.00 0.00 54.91 53.88 1wif h ALA 61 Cb 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1wif h ALA 61 CO 0.00 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.14 1wif h ALA 62 N -0.56 0.80 -0.05 0.00 0.00 -1.92 0.22 119.26 117.75 1wif h ALA 62 Ca -0.31 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wif h ALA 62 Cb 1.21 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wif h ALA 62 CO -0.19 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 178.91 1wif h ALA 63 N 1.45 1.46 -0.23 0.00 0.00 -1.76 0.26 119.26 120.45 1wif h ALA 63 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wif h ALA 63 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wif h ALA 63 CO -0.35 -0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.23 1wif n SER 64 N -3.58 2.77 -4.23 0.00 7.64 0.70 -4.78 113.62 112.14 1wif n SER 64 Ca -0.02 -1.89 -0.39 0.00 1.01 0.00 0.00 58.87 57.59 1wif n SER 64 Cb 0.17 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.12 1wif n SER 64 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wif s ASP 65 N -1.66 5.46 0.00 6.43 -1.08 0.93 -4.94 116.67 121.82 1wif s ASP 65 Ca 0.35 -1.58 0.05 0.00 -0.52 0.00 0.00 52.55 50.84 1wif s ASP 65 Cb 0.21 -1.92 0.21 0.00 -1.46 0.00 0.00 42.92 39.96 1wif s ASP 65 CO 0.30 -0.50 1.12 0.61 0.52 0.00 0.00 175.17 177.22 1wif n GLY 66 N 4.81 -0.62 0.11 2.66 0.00 -1.26 -2.73 105.19 108.16 1wif n GLY 66 Ca -0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1wif n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wif h ILE 67 N 0.00 0.55 -3.35 -0.61 5.03 -1.92 -3.44 117.51 113.78 1wif h ILE 67 Ca 0.00 -1.19 -0.53 0.00 -0.12 0.00 0.00 64.86 63.02 1wif h ILE 67 Cb 0.07 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 1wif h ILE 67 CO 0.00 0.17 0.45 -0.76 -0.68 0.00 0.00 178.15 177.32 1wif s LEU 68 N -8.73 4.39 0.17 1.44 1.43 -1.11 -5.02 118.68 111.24 1wif s LEU 68 Ca -0.08 1.83 0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1wif s LEU 68 Cb -0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1wif s LEU 68 CO 0.30 -0.33 -0.24 0.00 0.23 0.00 0.00 176.35 176.31 1wif s GLN 69 N 0.88 1.43 -1.15 1.70 -2.07 -1.26 -4.85 119.66 114.34 1wif s GLN 69 Ca 0.54 -1.44 -0.23 0.00 -1.82 0.00 0.00 55.36 52.42 1wif s GLN 69 Cb -0.25 -1.77 -0.08 0.00 -1.09 0.00 0.00 33.01 29.82 1wif s GLN 69 CO 0.29 0.39 1.94 -1.25 -1.32 0.00 0.00 175.29 175.34 1wif s PRO 70 N -2.45 2.50 0.00 9.60 0.04 -1.26 -3.43 135.00 140.00 1wif s PRO 70 Ca 0.17 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.15 1wif s PRO 70 Cb -0.08 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1wif s PRO 70 CO 0.08 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.62 1wif n GLY 71 N 5.93 0.00 0.03 0.56 0.00 -0.34 -4.56 105.19 106.80 1wif n GLY 71 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 1wif n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wif n ASP 72 N 0.00 1.01 -3.56 1.61 9.92 -1.22 -4.86 116.55 119.45 1wif n ASP 72 Ca 0.00 -1.01 -0.29 0.00 -0.53 0.00 0.00 54.79 52.96 1wif n ASP 72 Cb 0.00 -0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wif s VAL 73 N -0.02 0.40 0.50 2.53 1.01 -1.14 -3.23 120.40 120.45 1wif s VAL 73 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 61.98 60.19 1wif s VAL 73 Cb -0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 1wif s VAL 73 CO 0.00 -0.86 1.24 0.18 0.00 0.00 0.00 175.10 175.66 1wif n LEU 74 N 4.39 4.45 -0.62 3.92 4.77 -1.24 -2.30 117.00 130.36 1wif n LEU 74 Ca 0.05 1.01 0.02 0.00 -0.03 0.00 0.00 56.01 57.05 1wif n LEU 74 Cb 0.39 -1.50 0.02 0.00 -2.33 0.00 0.00 43.42 39.99 1wif n LEU 74 CO 0.13 -0.85 0.25 -0.38 -1.33 0.00 0.00 177.39 175.20 1wif n ILE 75 N -0.76 0.21 0.00 -0.08 -0.00 0.25 -4.27 119.36 114.71 1wif n ILE 75 Ca 0.09 -0.41 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 1wif n ILE 75 Cb 0.43 0.50 0.00 0.00 -0.00 0.00 0.00 39.64 40.57 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 -0.07 0.00 -4.50 4.38 3.41 -1.26 -4.50 113.62 111.08 1wif n SER 76 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 1wif n SER 76 Cb 0.77 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 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 4.85 -0.58 -3.33 1.01 -1.08 -3.82 120.40 117.45 1wif s VAL 77 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1wif s VAL 77 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wif s VAL 77 CO 0.00 -0.63 0.52 0.61 0.00 0.00 0.00 175.10 175.60 1wif n GLY 78 N 5.07 -0.45 1.62 4.51 0.00 -1.23 -2.92 105.19 111.79 1wif n GLY 78 Ca -0.03 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.27 -1.08 -3.98 1.61 -0.00 -1.26 -4.84 115.22 103.39 1wif n HIS 79 Ca -0.03 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.84 1wif n HIS 79 Cb 0.55 -1.50 -0.15 0.00 -0.12 0.00 0.00 29.99 28.78 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 -1.57 2.81 -0.84 1.57 0.00 -1.15 -5.04 121.76 117.55 1wif s ALA 80 Ca 0.00 -2.54 -0.16 0.00 0.00 0.00 0.00 51.96 49.26 1wif s ALA 80 Cb 0.00 -1.96 -0.23 0.00 0.00 0.00 0.00 23.12 20.94 1wif s ALA 80 CO 0.00 -1.73 2.16 -1.71 0.00 0.00 0.00 175.76 174.48 1wif n ASN 81 N 4.17 -0.02 -0.33 0.00 2.85 -1.26 -2.62 115.26 118.05 1wif n ASN 81 Ca 0.04 -1.14 0.11 0.00 -0.11 0.00 0.00 54.58 53.48 1wif n ASN 81 Cb 0.41 -1.07 0.50 0.00 1.24 0.00 0.00 39.78 40.86 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 6.98 0.10 -0.36 3.44 0.24 -1.26 -4.36 118.33 123.11 1wif n VAL 82 Ca 0.52 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.34 62.53 1wif n VAL 82 Cb 0.31 0.12 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.39 -1.90 -3.87 1.34 6.46 -1.79 0.13 115.31 117.07 1wif h LEU 83 Ca 0.00 0.31 -0.49 0.00 -0.12 0.00 0.00 57.88 57.57 1wif h LEU 83 Cb 0.30 0.87 -0.27 0.00 -0.73 0.00 0.00 40.66 40.82 1wif h LEU 83 CO 0.00 -0.27 0.50 0.61 -0.62 0.00 0.00 178.44 178.66 1wif n GLY 84 N -1.33 4.97 3.74 3.75 0.00 -1.26 -4.04 105.19 111.02 1wif n GLY 84 Ca 0.03 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.43 3.62 0.87 1.61 1.51 0.47 -5.01 117.35 116.99 1wif s TYR 85 Ca 0.56 1.20 -0.12 0.00 -1.01 0.00 0.00 57.07 57.70 1wif s TYR 85 Cb 0.47 -2.70 0.11 0.00 -0.11 0.00 0.00 41.96 39.73 1wif s TYR 85 CO 0.06 0.21 1.12 0.95 -1.11 0.00 0.00 175.55 176.78 1wif s THR 86 N 0.35 2.39 0.33 -0.71 -4.23 -1.26 -4.36 115.64 108.13 1wif s THR 86 Ca 0.34 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1wif s THR 86 Cb -0.18 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.88 1wif s THR 86 CO 0.17 -0.16 1.78 0.25 -0.54 0.00 0.00 174.62 176.12 1wif h LEU 87 N -1.35 0.29 -0.50 4.79 5.85 -1.96 0.25 115.31 122.68 1wif h LEU 87 Ca -0.49 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1wif h LEU 87 Cb 1.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wif h LEU 87 CO 0.61 0.56 -0.06 0.08 -0.34 0.00 0.00 178.44 179.29 1wif h ARG 88 N 0.26 0.00 0.01 1.25 0.11 -1.99 -3.21 114.38 110.80 1wif h ARG 88 Ca 0.04 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.82 1wif h ARG 88 Cb 0.62 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.66 1wif h ARG 88 CO 0.04 0.06 -1.62 0.39 0.10 0.00 0.00 179.97 178.95 1wif n GLU 89 N -3.13 0.58 -0.31 0.08 -0.58 -0.89 -3.52 120.64 112.87 1wif n GLU 89 Ca 0.03 0.48 0.31 0.00 -0.42 0.00 0.00 57.16 57.56 1wif n GLU 89 Cb 0.48 -1.68 0.68 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.92 0.20 0.04 -0.32 3.57 -0.62 0.17 116.94 119.07 1wif h PHE 90 Ca -0.44 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1wif h PHE 90 Cb 1.43 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 40.12 1wif h PHE 90 CO 0.05 0.01 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.74 1wif h LEU 91 N 0.12 0.23 -0.35 0.59 -0.00 -1.72 -2.63 115.31 111.55 1wif h LEU 91 Ca 0.57 -0.90 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1wif h LEU 91 Cb 2.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1wif h LEU 91 CO -0.10 1.10 0.00 2.29 -0.00 0.00 0.00 178.44 181.73 1wif n LYS 92 N -4.43 0.06 -0.08 1.13 -0.00 0.04 -1.75 118.16 113.14 1wif n LYS 92 Ca -0.11 0.40 -0.11 0.00 -0.00 0.00 0.00 58.31 58.48 1wif n LYS 92 Cb 0.59 -1.65 -0.05 0.00 -0.00 0.00 0.00 35.03 33.92 1wif n LYS 92 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1wif n LEU 93 N -1.77 1.83 0.08 -5.58 7.94 0.39 -3.81 117.00 116.08 1wif n LEU 93 Ca 0.02 0.55 0.08 0.00 -1.11 0.00 0.00 56.01 55.55 1wif n LEU 93 Cb 0.13 -0.91 0.37 0.00 0.53 0.00 0.00 43.42 43.54 1wif n LEU 93 CO 0.11 -0.18 0.74 0.18 -1.11 0.00 0.00 177.39 177.14 1wif n LEU 94 N -4.54 0.34 0.09 -1.96 4.77 -0.99 -1.86 117.00 112.85 1wif n LEU 94 Ca -0.17 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1wif n LEU 94 Cb 0.43 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1wif n LEU 94 CO 0.14 -0.57 -0.09 0.06 -1.33 0.00 0.00 177.39 175.59 1wif h GLN 95 N 0.00 0.25 0.00 3.23 3.07 -1.50 -3.19 115.11 116.97 1wif h GLN 95 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1wif h GLN 95 Cb 0.17 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1wif h GLN 95 CO 0.00 1.18 0.00 0.09 0.09 0.00 0.00 178.83 180.19 1wif n ASN 96 N -3.50 0.00 -4.86 0.06 3.02 -0.78 -4.80 115.26 104.40 1wif n ASN 96 Ca -0.09 -1.27 -0.31 0.00 -0.03 0.00 0.00 54.58 52.87 1wif n ASN 96 Cb 1.02 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.14 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wif s ILE 97 N -2.00 4.76 0.21 2.41 -1.09 -1.21 -5.09 121.20 119.19 1wif s ILE 97 Ca 0.14 0.74 0.05 0.00 -2.23 0.00 0.00 60.65 59.35 1wif s ILE 97 Cb 0.06 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1wif s ILE 97 CO 0.11 -0.31 0.28 -0.89 -1.23 0.00 0.00 174.94 172.90 1wif s THR 98 N -2.12 5.02 0.46 2.92 2.01 -1.26 -5.05 115.64 117.61 1wif s THR 98 Ca 0.52 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 1wif s THR 98 Cb -0.10 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1wif s THR 98 CO 0.23 -0.24 1.33 -0.63 -0.69 0.00 0.00 174.62 174.62 1wif s ILE 99 N -1.92 2.41 -0.62 1.82 1.01 -1.26 -3.65 121.20 118.99 1wif s ILE 99 Ca 0.34 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1wif s ILE 99 Cb -0.09 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1wif s ILE 99 CO 0.27 0.03 0.52 0.61 0.00 0.00 0.00 174.94 176.38 1wif n GLY 100 N 0.63 -0.03 3.08 6.18 0.00 -0.65 -5.00 105.19 109.39 1wif n GLY 100 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.20 1.94 -0.52 2.61 2.01 -1.24 -4.95 115.64 112.31 1wif s THR 101 Ca 0.06 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 1wif s THR 101 Cb -0.01 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.68 1wif s THR 101 CO 0.39 0.38 1.20 -0.69 -0.69 0.00 0.00 174.62 175.21 1wif s VAL 102 N 1.30 4.08 0.15 3.82 1.01 -1.26 -4.01 120.40 125.49 1wif s VAL 102 Ca 0.02 1.05 0.11 0.00 0.00 0.00 0.00 61.98 63.15 1wif s VAL 102 Cb -0.15 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1wif s VAL 102 CO -0.11 -1.12 -0.25 -0.76 0.00 0.00 0.00 175.10 172.85 1wif s LEU 103 N 4.83 2.36 -0.48 3.92 2.01 -1.26 -5.03 118.68 125.04 1wif s LEU 103 Ca 0.48 -0.79 -0.18 0.00 0.01 0.00 0.00 54.13 53.64 1wif s LEU 103 Cb -0.08 -1.18 0.05 0.00 0.01 0.00 0.00 46.19 45.00 1wif s LEU 103 CO 0.29 0.15 0.52 -1.58 1.01 0.00 0.00 176.35 176.75 1wif s GLN 104 N -2.30 3.08 -0.66 1.70 0.74 -1.26 -3.73 119.66 117.23 1wif s GLN 104 Ca 0.16 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.41 1wif s GLN 104 Cb -0.09 -4.08 0.13 0.00 1.10 0.00 0.00 33.01 30.06 1wif s GLN 104 CO 0.07 -1.09 0.74 0.42 -0.55 0.00 0.00 175.29 174.88 1wif s ILE 105 N 2.26 4.96 -0.33 -2.34 -1.09 -1.04 -3.51 121.20 120.11 1wif s ILE 105 Ca 0.12 -1.32 -0.15 0.00 -2.23 0.00 0.00 60.65 57.07 1wif s ILE 105 Cb -0.20 -4.50 -0.02 0.00 -1.58 0.00 0.00 42.46 36.16 1wif s ILE 105 CO 0.11 -1.13 0.37 -0.75 -1.23 0.00 0.00 174.94 172.31 1wif s LYS 106 N 2.22 3.64 0.14 2.79 2.20 -1.25 -2.99 119.74 126.50 1wif s LYS 106 Ca 0.14 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1wif s LYS 106 Cb -0.21 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1wif s LYS 106 CO 0.02 -0.49 -0.10 0.00 -0.36 0.00 0.00 175.35 174.43 1wif s ALA 107 N 2.04 1.37 -0.16 3.13 0.00 0.31 0.86 121.76 129.31 1wif s ALA 107 Ca 0.12 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 1wif s ALA 107 Cb -0.16 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1wif s ALA 107 CO 0.11 -0.11 0.12 0.71 0.00 0.00 0.00 175.76 176.60 1wif s TYR 108 N -3.28 3.44 -0.48 0.00 2.02 -0.97 -0.91 117.35 117.18 1wif s TYR 108 Ca 0.15 0.36 0.03 0.00 -0.37 0.00 0.00 57.07 57.24 1wif s TYR 108 Cb 0.02 -2.05 0.56 0.00 -0.40 0.00 0.00 41.96 40.10 1wif s TYR 108 CO -0.00 0.45 1.83 0.54 -1.57 0.00 0.00 175.55 176.79 1wif n ARG 109 N 2.88 2.39 -0.65 -0.62 1.74 -1.26 -2.89 116.66 118.25 1wif n ARG 109 Ca -0.18 -3.20 -0.01 0.00 -0.77 0.00 0.00 57.85 53.70 1wif n ARG 109 Cb 0.53 -2.15 -0.00 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.05 -0.45 0.26 -0.13 0.00 -1.26 -5.00 105.19 97.56 1wif n GLY 110 Ca 0.55 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.01 0.00 -3.60 1.61 -0.00 -1.26 -4.98 117.46 109.21 1wif n PHE 111 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.05 1wif n PHE 111 Cb 0.31 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.48 39.67 1wif n PHE 111 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1wif s LEU 112 N -5.18 4.07 0.84 -2.13 2.96 -1.26 -5.08 118.68 112.90 1wif s LEU 112 Ca -0.01 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1wif s LEU 112 Cb 0.00 -2.15 0.10 0.00 0.50 0.00 0.00 46.19 44.64 1wif s LEU 112 CO 0.02 -0.01 1.10 -1.61 -1.32 0.00 0.00 176.35 174.54 1wif s GLU 113 N 1.44 1.71 -0.15 1.98 8.01 -1.26 -4.87 118.70 125.55 1wif s GLU 113 Ca 0.08 1.22 -0.12 0.00 0.01 0.00 0.00 54.97 56.16 1wif s GLU 113 Cb -0.15 -1.83 -0.05 0.00 -4.31 0.00 0.00 34.13 27.79 1wif s GLU 113 CO 0.08 -2.04 0.23 0.42 0.01 0.00 0.00 175.26 173.96 1wif s ILE 114 N -2.83 5.34 -0.43 -1.63 1.01 -1.26 -5.04 121.20 116.36 1wif s ILE 114 Ca 0.63 0.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.42 1wif s ILE 114 Cb -0.19 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1wif s ILE 114 CO 0.57 0.46 1.75 -2.16 0.00 0.00 0.00 174.94 175.56 1wif s PRO 115 N 0.03 3.15 0.29 2.79 0.04 -1.26 -4.87 135.00 135.17 1wif s PRO 115 Ca 0.15 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1wif s PRO 115 Cb -0.13 -4.23 0.73 0.00 0.04 0.00 0.00 34.50 30.92 1wif s PRO 115 CO 0.03 -2.09 1.72 1.96 0.04 0.00 0.00 177.00 178.66 1wif h GLN 116 N 13.17 0.47 -0.98 4.56 1.08 -1.96 -0.45 115.11 131.00 1wif h GLN 116 Ca -0.30 -0.03 0.29 0.00 -1.45 0.00 0.00 58.65 57.16 1wif h GLN 116 Cb 1.16 -0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 28.30 1wif h GLN 116 CO 1.10 0.31 0.11 0.93 -0.95 0.00 0.00 178.83 180.33 1wif h GLU 117 N 0.48 0.02 0.05 1.46 5.08 -1.93 -1.65 114.58 118.09 1wif h GLU 117 Ca 0.56 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1wif h GLU 117 Cb 1.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1wif h GLU 117 CO -0.49 0.01 -0.03 -1.49 -1.00 0.00 0.00 179.01 176.01 1wif h TRP 118 N 0.02 -0.09 -1.75 4.33 4.06 -1.47 -3.41 115.95 117.63 1wif h TRP 118 Ca 0.63 -0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.89 1wif h TRP 118 Cb 1.35 0.03 0.02 0.00 -1.00 0.00 0.00 29.16 29.55 1wif h TRP 118 CO -0.42 -0.05 1.00 1.04 -3.56 0.00 0.00 178.44 176.45 1wif n GLN 119 N -2.36 1.60 -0.00 0.49 1.13 -0.62 -4.81 117.38 112.81 1wif n GLN 119 Ca -0.01 0.59 -0.00 0.00 -1.94 0.00 0.00 57.00 55.64 1wif n GLN 119 Cb 0.03 -2.35 -0.00 0.00 0.11 0.00 0.00 30.24 28.04 1wif n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wif n ASP 120 N 6.02 2.07 -4.17 1.08 -0.08 -1.26 -4.91 116.55 115.30 1wif n ASP 120 Ca 0.25 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.14 1wif n ASP 120 Cb 0.20 -0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.60 1wif n ASP 120 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1wif s SER 121 N -4.48 6.04 0.54 1.67 0.01 -1.26 -5.06 113.70 111.15 1wif s SER 121 Ca -0.00 -3.22 0.00 0.00 1.31 0.00 0.00 55.95 54.04 1wif s SER 121 Cb 0.00 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1wif s SER 121 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1wif n GLY 122 N 3.07 -1.67 0.02 3.44 0.00 -1.26 -4.90 105.19 103.90 1wif n GLY 122 Ca 0.16 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.69 0.03 -1.40 1.61 -0.04 -1.26 -4.99 135.00 128.27 1wif n PRO 123 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1wif n PRO 123 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1wif n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wif n SER 124 N -1.61 -7.67 -0.04 3.54 2.88 -1.26 -5.00 113.62 104.46 1wif n SER 124 Ca 0.03 1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 58.59 1wif n SER 124 Cb 0.17 -4.07 -0.03 0.00 -0.75 0.00 0.00 64.21 59.54 1wif n SER 124 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wif n SER 125 N -0.85 1.64 -0.72 -3.46 7.64 -1.26 -5.30 113.62 111.31 1wif n SER 125 Ca 0.00 0.04 0.09 0.00 1.01 0.00 0.00 58.87 60.01 1wif n SER 125 Cb 0.00 -0.17 0.08 0.00 -1.01 0.00 0.00 64.21 63.10 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64