#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 -0.47 -0.60 1.61 0.15 -1.26 -5.11 113.70 108.01 1wif s SER 2 Ca 0.00 0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.74 1wif s SER 2 Cb 0.00 0.49 0.17 0.00 -1.71 0.00 0.00 66.02 64.97 1wif s SER 2 CO 0.00 -0.77 0.44 -0.94 1.20 0.00 0.00 173.24 173.16 1wif s SER 3 N -2.50 3.72 0.00 5.45 1.04 -1.26 -4.93 113.70 115.22 1wif s SER 3 Ca 0.02 -3.57 0.00 0.00 0.48 0.00 0.00 55.95 52.89 1wif s SER 3 Cb -0.01 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1wif s SER 3 CO -0.10 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1wif n GLY 4 N 2.30 -1.47 3.54 7.32 0.00 -1.26 -5.12 105.19 110.50 1wif n GLY 4 Ca 0.22 0.58 -0.56 0.00 0.00 0.00 0.00 46.02 46.26 1wif n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wif n SER 5 N -0.26 0.64 -3.64 1.61 7.64 -1.26 -4.95 113.62 113.40 1wif n SER 5 Ca 0.00 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.92 1wif n SER 5 Cb 0.00 -1.03 -0.07 0.00 -1.01 0.00 0.00 64.21 62.10 1wif n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wif s SER 6 N 0.17 -0.68 0.00 6.43 0.01 -1.26 -5.11 113.70 113.27 1wif s SER 6 Ca 0.88 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1wif s SER 6 Cb -1.13 1.26 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1wif s SER 6 CO 0.53 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1wif n GLY 7 N 2.95 -0.96 2.24 3.44 0.00 -1.26 -4.24 105.19 107.36 1wif n GLY 7 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -9.39 -4.89 1.61 2.88 -1.24 -5.05 113.62 97.54 1wif n SER 8 Ca 0.00 1.65 -0.26 0.00 -1.33 0.00 0.00 58.87 58.93 1wif n SER 8 Cb 0.00 -5.23 -0.01 0.00 -0.75 0.00 0.00 64.21 58.21 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 -0.57 2.28 0.99 -1.46 1.02 -1.24 -5.00 119.74 115.77 1wif s LYS 9 Ca 0.00 -1.96 -0.17 0.00 0.02 0.00 0.00 55.97 53.86 1wif s LYS 9 Cb 0.00 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 1wif s LYS 9 CO 0.00 -0.54 -0.56 0.27 -0.92 0.00 0.00 175.35 173.60 1wif n ASN 10 N -1.71 -4.58 -1.43 2.83 2.04 -1.26 -4.70 115.26 106.46 1wif n ASN 10 Ca -0.01 0.18 0.17 0.00 -0.44 0.00 0.00 54.58 54.48 1wif n ASN 10 Cb 0.64 -0.85 -0.10 0.00 -2.53 0.00 0.00 39.78 36.95 1wif n ASN 10 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1wif n GLU 11 N 1.26 -3.32 -1.41 -3.83 1.02 -1.26 -4.88 120.64 108.22 1wif n GLU 11 Ca 0.00 2.72 -0.31 0.00 -0.02 0.00 0.00 57.16 59.56 1wif n GLU 11 Cb 0.58 -3.88 0.08 0.00 -0.02 0.00 0.00 31.44 28.20 1wif n GLU 11 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wif s LYS 12 N -4.31 2.46 0.34 3.49 1.02 -1.26 -4.87 119.74 116.61 1wif s LYS 12 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.00 1wif s LYS 12 Cb 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1wif s LYS 12 CO 0.00 -1.46 0.00 -1.91 -0.92 0.00 0.00 175.35 171.06 1wif n GLU 13 N -3.38 -2.43 -1.76 1.68 2.13 -1.26 -5.04 120.64 110.59 1wif n GLU 13 Ca 0.08 1.74 0.00 0.00 0.66 0.00 0.00 57.16 59.65 1wif n GLU 13 Cb 0.54 -2.92 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1wif n GLU 13 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1wif n GLN 14 N -3.81 -4.94 0.19 5.31 6.02 -1.26 -4.70 117.38 114.19 1wif n GLN 14 Ca -0.02 3.58 0.00 0.00 -0.01 0.00 0.00 57.00 60.55 1wif n GLN 14 Cb 0.53 -3.95 0.00 0.00 1.02 0.00 0.00 30.24 27.84 1wif n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wif n LEU 15 N 0.30 -2.03 -1.16 1.08 4.32 -1.26 -3.65 117.00 114.61 1wif n LEU 15 Ca 0.00 0.69 0.15 0.00 -0.02 0.00 0.00 56.01 56.83 1wif n LEU 15 Cb 0.00 2.02 -0.04 0.00 -1.62 0.00 0.00 43.42 43.78 1wif n LEU 15 CO 0.00 -0.30 -0.24 -1.20 -1.22 0.00 0.00 177.39 174.43 1wif n SER 16 N -3.47 -6.71 -4.95 -1.43 7.64 -1.26 -3.59 113.62 99.84 1wif n SER 16 Ca 0.00 0.54 -0.23 0.00 1.01 0.00 0.00 58.87 60.18 1wif n SER 16 Cb 0.00 -3.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1wif n SER 16 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wif s LYS 17 N -2.27 3.20 0.00 1.43 1.02 -1.26 -4.36 119.74 117.50 1wif s LYS 17 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1wif s LYS 17 Cb 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1wif s LYS 17 CO 0.00 -0.16 0.00 0.00 -0.92 0.00 0.00 175.35 174.27 1wif n ALA 18 N -2.01 0.00 -2.56 5.17 0.00 -1.26 -5.04 120.51 114.81 1wif n ALA 18 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1wif n ALA 18 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 2.20 0.21 0.00 3.01 -1.26 -4.90 119.74 119.00 1wif s LYS 19 Ca 0.00 -2.12 0.01 0.00 -1.01 0.00 0.00 55.97 52.85 1wif s LYS 19 Cb 0.00 -1.81 -0.05 0.00 -1.01 0.00 0.00 37.83 34.96 1wif s LYS 19 CO 0.00 -0.33 0.05 0.00 0.51 0.00 0.00 175.35 175.58 1wif s ALA 20 N -2.76 1.51 -0.60 5.17 0.00 -1.26 -5.06 121.76 118.76 1wif s ALA 20 Ca 0.26 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1wif s ALA 20 Cb 0.02 0.83 0.43 0.00 0.00 0.00 0.00 23.12 24.40 1wif s ALA 20 CO 0.14 -0.40 1.76 0.45 0.00 0.00 0.00 175.76 177.72 1wif n SER 21 N -0.34 6.79 -4.66 0.00 2.88 -1.26 -4.99 113.62 112.03 1wif n SER 21 Ca -0.03 -3.78 -0.28 0.00 -1.33 0.00 0.00 58.87 53.45 1wif n SER 21 Cb 0.65 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 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 -4.89 3.79 -0.41 2.46 0.11 -1.26 -5.08 120.40 115.13 1wif s VAL 22 Ca 0.58 -1.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1wif s VAL 22 Cb 0.46 -2.86 0.25 0.00 -1.53 0.00 0.00 36.38 32.70 1wif s VAL 22 CO -0.09 -0.01 0.59 -1.20 -3.33 0.00 0.00 175.10 171.05 1wif n SER 23 N 0.18 -0.36 -2.51 3.54 7.64 -1.26 -4.92 113.62 115.94 1wif n SER 23 Ca -0.10 -2.80 -0.03 0.00 1.01 0.00 0.00 58.87 56.94 1wif n SER 23 Cb 0.54 -0.21 0.09 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.44 -1.34 -2.11 6.43 2.88 -1.26 -4.99 113.62 114.67 1wif n SER 24 Ca 0.19 -2.04 -0.23 0.00 -1.33 0.00 0.00 58.87 55.45 1wif n SER 24 Cb 0.55 0.72 0.02 0.00 -0.75 0.00 0.00 64.21 64.75 1wif n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wif n LEU 25 N -0.93 4.76 -3.95 2.46 4.77 -1.26 -4.97 117.00 117.88 1wif n LEU 25 Ca -0.12 -4.74 -0.31 0.00 -0.03 0.00 0.00 56.01 50.81 1wif n LEU 25 Cb 0.79 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1wif n LEU 25 CO -0.11 2.08 -0.41 0.54 -1.33 0.00 0.00 177.39 178.17 1wif s ASN 26 N -3.60 4.07 -0.11 -1.43 4.22 -1.26 -5.11 114.94 111.73 1wif s ASN 26 Ca 0.50 -1.38 -0.21 0.00 -2.14 0.00 0.00 52.86 49.62 1wif s ASN 26 Cb 0.41 -1.26 -0.04 0.00 1.28 0.00 0.00 41.25 41.64 1wif s ASN 26 CO 0.01 -0.27 0.62 -0.75 -2.04 0.00 0.00 177.10 174.67 1wif s LYS 27 N 1.31 4.36 -0.33 3.55 2.20 -1.26 -5.03 119.74 124.53 1wif s LYS 27 Ca -0.03 0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 56.03 1wif s LYS 27 Cb -0.19 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1wif s LYS 27 CO -0.08 0.02 0.86 0.08 -0.36 0.00 0.00 175.35 175.87 1wif s VAL 28 N 1.01 4.70 -0.15 4.02 1.01 -1.26 -4.40 120.40 125.33 1wif s VAL 28 Ca 0.32 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.28 1wif s VAL 28 Cb -0.16 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1wif s VAL 28 CO 0.14 -0.38 0.77 -0.63 0.00 0.00 0.00 175.10 175.01 1wif s ILE 29 N 3.19 4.94 -0.09 2.22 -1.09 -0.98 -4.98 121.20 124.42 1wif s ILE 29 Ca 0.35 1.53 -0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1wif s ILE 29 Cb -0.13 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1wif s ILE 29 CO 0.15 0.09 0.17 0.00 -1.23 0.00 0.00 174.94 174.13 1wif s GLN 30 N 1.78 0.05 0.04 2.79 -2.07 -1.26 -0.94 119.66 120.04 1wif s GLN 30 Ca 0.37 0.58 -0.04 0.00 -1.82 0.00 0.00 55.36 54.45 1wif s GLN 30 Cb -0.17 -0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 31.48 1wif s GLN 30 CO 0.14 -0.31 0.06 -0.08 -1.32 0.00 0.00 175.29 173.78 1wif s THR 31 N 2.31 0.15 -0.26 3.63 -1.32 -1.18 -4.95 115.64 114.02 1wif s THR 31 Ca 0.03 -1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 59.11 1wif s THR 31 Cb -0.12 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1wif s THR 31 CO -0.06 -0.67 0.53 -0.54 -2.21 0.00 0.00 174.62 171.67 1wif s LYS 32 N -2.78 4.08 -0.31 7.08 3.01 -1.26 -2.25 119.74 127.31 1wif s LYS 32 Ca -0.04 0.36 -0.12 0.00 -1.01 0.00 0.00 55.97 55.16 1wif s LYS 32 Cb -0.00 -3.65 -0.03 0.00 -1.01 0.00 0.00 37.83 33.14 1wif s LYS 32 CO -0.05 -0.35 0.21 -0.51 0.51 0.00 0.00 175.35 175.15 1wif s LEU 33 N 2.32 4.27 -0.83 3.17 1.43 -1.25 -4.95 118.68 122.83 1wif s LEU 33 Ca 0.22 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 1wif s LEU 33 Cb -0.16 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1wif s LEU 33 CO 0.09 -0.15 1.76 -0.89 0.23 0.00 0.00 176.35 177.39 1wif s THR 34 N 1.73 3.54 0.16 5.49 2.01 -1.26 -4.51 115.64 122.80 1wif s THR 34 Ca 0.06 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1wif s THR 34 Cb -0.17 -4.29 -0.17 0.00 0.01 0.00 0.00 72.50 67.88 1wif s THR 34 CO 0.10 -1.22 0.60 0.52 -0.69 0.00 0.00 174.62 173.93 1wif n VAL 35 N 7.36 1.63 -3.25 3.82 0.31 -1.25 -4.58 118.33 122.37 1wif n VAL 35 Ca 0.30 -0.41 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 1wif n VAL 35 Cb 0.49 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.81 1.94 0.23 2.92 0.00 -1.26 -1.14 107.32 109.19 1wif s GLY 36 Ca 0.67 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 1wif s GLY 36 CO 0.55 -1.70 1.61 3.43 0.00 0.00 0.00 173.10 177.00 1wif h ASN 37 N 0.48 -0.63 0.08 1.64 2.35 -1.93 0.81 115.58 118.39 1wif h ASN 37 Ca -0.35 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1wif h ASN 37 Cb 1.29 0.43 0.00 0.00 0.05 0.00 0.00 38.32 40.09 1wif h ASN 37 CO 0.47 -0.23 -0.06 0.18 -1.65 0.00 0.00 177.43 176.13 1wif n LEU 38 N -5.46 1.13 -1.56 1.61 4.77 -1.26 -4.88 117.00 111.35 1wif n LEU 38 Ca 0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1wif n LEU 38 Cb 0.39 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1wif n LEU 38 CO 0.01 0.19 -0.42 0.61 -1.33 0.00 0.00 177.39 176.46 1wif n GLY 39 N 1.20 -4.71 3.51 -0.72 0.00 0.28 -4.55 105.19 100.20 1wif n GLY 39 Ca 0.18 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.10 0.69 -1.80 0.99 -0.00 -1.26 -4.74 117.00 110.78 1wif n LEU 40 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.01 55.89 1wif n LEU 40 Cb 0.00 -1.06 0.18 0.00 -0.00 0.00 0.00 43.42 42.54 1wif n LEU 40 CO 0.00 -0.95 0.97 0.61 -0.00 0.00 0.00 177.39 178.02 1wif n GLY 41 N 6.36 3.47 1.36 1.47 0.00 -1.26 -4.95 105.19 111.65 1wif n GLY 41 Ca 0.60 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.36 -0.12 -3.76 0.99 -0.00 -1.26 -4.60 117.00 107.89 1wif n LEU 42 Ca 0.37 0.45 -0.42 0.00 -0.00 0.00 0.00 56.01 56.41 1wif n LEU 42 Cb 1.25 -0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 44.29 1wif n LEU 42 CO 0.39 -0.84 2.49 0.52 -0.00 0.00 0.00 177.39 179.94 1wif n VAL 43 N 0.45 3.02 -2.58 1.47 0.31 0.66 -4.87 118.33 116.80 1wif n VAL 43 Ca 0.08 -2.68 -0.32 0.00 -0.01 0.00 0.00 64.34 61.41 1wif n VAL 43 Cb 0.05 -2.51 -0.05 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 3.85 4.51 0.49 2.52 0.11 -1.26 -1.95 120.40 128.67 1wif s VAL 44 Ca 0.50 1.25 0.02 0.00 -2.93 0.00 0.00 61.98 60.82 1wif s VAL 44 Cb 0.13 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 1wif s VAL 44 CO -0.02 -0.55 0.03 0.27 -3.33 0.00 0.00 175.10 171.50 1wif s ILE 45 N -2.45 1.04 -0.84 7.04 -4.36 -0.84 -4.80 121.20 115.98 1wif s ILE 45 Ca 0.59 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 1wif s ILE 45 Cb -0.10 -2.21 0.22 0.00 1.25 0.00 0.00 42.46 41.63 1wif s ILE 45 CO 0.25 0.00 0.78 -1.58 0.24 0.00 0.00 174.94 174.63 1wif s GLN 46 N -3.84 3.61 -0.39 0.37 -0.44 -1.26 -3.35 119.66 114.36 1wif s GLN 46 Ca 0.10 -2.53 -0.01 0.00 -2.50 0.00 0.00 55.36 50.42 1wif s GLN 46 Cb 0.02 -4.41 0.11 0.00 -1.64 0.00 0.00 33.01 27.09 1wif s GLN 46 CO 0.06 -1.28 0.17 1.21 0.50 0.00 0.00 175.29 175.94 1wif s ASN 47 N 2.02 5.14 0.05 6.67 2.47 -1.24 -5.04 114.94 125.02 1wif s ASN 47 Ca 0.19 -2.06 0.00 0.00 0.42 0.00 0.00 52.86 51.40 1wif s ASN 47 Cb -0.10 -1.78 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1wif s ASN 47 CO -0.09 -0.50 0.00 0.61 -3.72 0.00 0.00 177.10 173.40 1wif n GLY 48 N 4.51 -1.71 0.00 1.21 0.00 -1.26 -3.83 105.19 104.11 1wif n GLY 48 Ca -0.01 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.05 0.28 -2.58 1.61 -0.04 -1.26 -4.76 135.00 128.21 1wif n PRO 49 Ca 0.00 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1wif n PRO 49 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1wif n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wif n TYR 50 N -1.21 0.19 -5.24 0.54 4.01 -1.25 -4.13 117.16 110.07 1wif n TYR 50 Ca 0.08 -0.56 -0.31 0.00 -0.16 0.00 0.00 57.90 56.95 1wif n TYR 50 Cb 0.10 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 38.92 1wif n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wif s LEU 51 N 0.00 2.12 -0.14 7.72 1.43 -1.26 -3.60 118.68 124.95 1wif s LEU 51 Ca 0.01 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1wif s LEU 51 Cb 0.00 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1wif s LEU 51 CO 0.01 0.27 -0.22 -1.10 0.23 0.00 0.00 176.35 175.54 1wif s GLN 52 N -0.31 3.02 -0.99 1.70 -1.52 -1.21 -3.75 119.66 116.60 1wif s GLN 52 Ca 0.01 -0.85 -0.25 0.00 -1.95 0.00 0.00 55.36 52.32 1wif s GLN 52 Cb -0.13 -2.45 -0.11 0.00 -0.22 0.00 0.00 33.01 30.10 1wif s GLN 52 CO 0.02 -0.04 2.08 0.42 -0.25 0.00 0.00 175.29 177.53 1wif s ILE 53 N 0.87 3.29 0.54 1.08 1.01 -1.23 -1.98 121.20 124.79 1wif s ILE 53 Ca -0.06 -0.37 0.23 0.00 0.00 0.00 0.00 60.65 60.45 1wif s ILE 53 Cb -0.15 -3.94 0.35 0.00 0.01 0.00 0.00 42.46 38.73 1wif s ILE 53 CO -0.03 -0.57 2.08 -1.28 0.00 0.00 0.00 174.94 175.13 1wif h SER 54 N 11.24 0.00 -4.21 3.58 0.87 -1.79 -2.41 113.55 120.83 1wif h SER 54 Ca 0.09 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1wif h SER 54 Cb 0.98 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.73 1wif h SER 54 CO 1.13 0.00 0.54 -2.28 -0.53 0.00 0.00 176.83 175.69 1wif s HIS 55 N -4.93 -0.37 -0.11 2.24 5.65 -0.83 -4.87 115.29 112.08 1wif s HIS 55 Ca -0.05 0.58 -0.02 0.00 0.25 0.00 0.00 55.06 55.82 1wif s HIS 55 Cb 0.18 0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 32.01 1wif s HIS 55 CO 0.66 -0.37 -0.03 -0.51 -0.65 0.00 0.00 174.74 173.85 1wif s LEU 56 N -1.31 3.38 -0.33 8.88 1.43 -1.26 0.24 118.68 129.70 1wif s LEU 56 Ca -0.01 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 1wif s LEU 56 Cb -0.01 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1wif s LEU 56 CO 0.00 0.30 1.61 -0.63 0.23 0.00 0.00 176.35 177.86 1wif s ILE 57 N -0.41 3.69 0.34 -0.59 1.09 -1.26 -4.81 121.20 119.25 1wif s ILE 57 Ca 0.07 0.72 0.15 0.00 -1.10 0.00 0.00 60.65 60.49 1wif s ILE 57 Cb -0.12 -3.86 0.34 0.00 -1.06 0.00 0.00 42.46 37.76 1wif s ILE 57 CO 0.02 -0.50 1.62 -1.13 -0.10 0.00 0.00 174.94 174.85 1wif h ASN 58 N 11.55 0.29 -0.97 3.58 -1.24 -1.97 0.28 115.58 127.09 1wif h ASN 58 Ca -0.31 0.23 -0.47 0.00 0.71 0.00 0.00 56.30 56.45 1wif h ASN 58 Cb 1.14 0.24 -0.17 0.00 0.73 0.00 0.00 38.32 40.26 1wif h ASN 58 CO 1.04 -0.28 0.34 0.29 -1.29 0.00 0.00 177.43 177.53 1wif n LYS 59 N -5.20 2.35 -1.44 6.67 4.76 -1.26 -4.66 118.16 119.38 1wif n LYS 59 Ca 0.32 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.54 1wif n LYS 59 Cb 1.05 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 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 0.96 4.41 0.08 0.72 0.00 1.00 -4.78 105.19 107.57 1wif n GLY 60 Ca 0.48 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 0.08 -0.90 4.61 0.00 -1.82 -3.28 119.26 118.95 1wif h ALA 61 Ca 0.00 -0.62 0.18 0.00 0.00 0.00 0.00 54.91 54.47 1wif h ALA 61 Cb 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1wif h ALA 61 CO 0.00 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.14 1wif h ALA 62 N -0.74 1.42 0.00 0.00 0.00 -1.91 0.41 119.26 118.44 1wif h ALA 62 Ca -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1wif h ALA 62 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wif h ALA 62 CO -0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 179.25 178.85 1wif h ALA 63 N 1.62 1.41 -0.23 0.00 0.00 -1.75 -1.31 119.26 119.01 1wif h ALA 63 Ca 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wif h ALA 63 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wif h ALA 63 CO -0.42 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.49 1wif n SER 64 N -3.91 2.14 -4.35 0.00 7.64 0.14 -4.80 113.62 110.48 1wif n SER 64 Ca -0.02 -1.80 -0.36 0.00 1.01 0.00 0.00 58.87 57.70 1wif n SER 64 Cb 0.27 -0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.53 4.93 0.00 6.43 2.15 -0.49 -4.99 116.67 123.17 1wif s ASP 65 Ca 0.33 -0.58 -0.02 0.00 0.43 0.00 0.00 52.55 52.71 1wif s ASP 65 Cb 0.19 -1.85 -0.09 0.00 -0.30 0.00 0.00 42.92 40.86 1wif s ASP 65 CO 0.27 -0.13 2.53 0.61 -0.17 0.00 0.00 175.17 178.28 1wif n GLY 66 N 4.85 2.64 0.78 2.66 0.00 -1.26 -3.49 105.19 111.37 1wif n GLY 66 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 1.86 0.00 -3.24 -0.61 2.08 -1.26 -5.06 119.36 113.13 1wif n ILE 67 Ca 0.15 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 63.07 1wif n ILE 67 Cb 0.64 -0.44 -0.06 0.00 -0.75 0.00 0.00 39.64 39.04 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wif s LEU 68 N -4.35 4.28 0.24 1.39 1.43 -1.23 -5.02 118.68 115.42 1wif s LEU 68 Ca 0.00 0.91 0.11 0.00 -1.03 0.00 0.00 54.13 54.12 1wif s LEU 68 Cb 0.00 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1wif s LEU 68 CO 0.00 -0.04 -0.19 -1.10 0.23 0.00 0.00 176.35 175.25 1wif s GLN 69 N 0.72 1.72 -1.17 1.70 -0.21 -1.26 -4.86 119.66 116.29 1wif s GLN 69 Ca 0.29 -1.61 -0.23 0.00 0.02 0.00 0.00 55.36 53.83 1wif s GLN 69 Cb -0.16 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.89 1wif s GLN 69 CO 0.12 0.37 1.93 -0.35 -2.12 0.00 0.00 175.29 175.24 1wif n PRO 70 N -0.29 1.60 0.00 2.91 -0.04 -1.26 -3.49 135.00 134.43 1wif n PRO 70 Ca -0.08 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1wif n PRO 70 Cb 0.58 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 1wif n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wif n GLY 71 N 5.73 0.00 0.00 0.55 0.00 -0.91 -4.73 105.19 105.83 1wif n GLY 71 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.02 -3.39 1.61 5.68 -1.23 -4.70 116.55 115.54 1wif n ASP 72 Ca 0.00 -0.91 -0.19 0.00 -0.50 0.00 0.00 54.79 53.19 1wif n ASP 72 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 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 0.12 -0.28 0.38 2.12 1.01 -1.23 -3.53 120.40 118.99 1wif s VAL 73 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 1wif s VAL 73 Cb 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 36.38 35.44 1wif s VAL 73 CO 0.00 -0.62 0.87 0.18 0.00 0.00 0.00 175.10 175.53 1wif n LEU 74 N 4.49 1.59 -1.20 3.92 4.77 -1.25 -2.65 117.00 126.67 1wif n LEU 74 Ca 0.08 1.04 0.02 0.00 -0.03 0.00 0.00 56.01 57.12 1wif n LEU 74 Cb 0.44 -1.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.28 1wif n LEU 74 CO 0.07 -1.89 0.13 -0.38 -1.33 0.00 0.00 177.39 173.98 1wif n ILE 75 N -0.42 0.00 0.00 -0.08 -0.00 0.49 -4.41 119.36 114.94 1wif n ILE 75 Ca 0.10 -0.68 0.00 0.00 -0.00 0.00 0.00 62.75 62.18 1wif n ILE 75 Cb 0.37 0.83 0.00 0.00 -0.00 0.00 0.00 39.64 40.84 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 0.34 0.00 -4.67 4.38 3.41 -1.26 -4.52 113.62 111.30 1wif n SER 76 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 1wif n SER 76 Cb 1.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 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 5.31 -1.06 -3.33 1.01 -1.05 -3.91 120.40 117.37 1wif s VAL 77 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1wif s VAL 77 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1wif s VAL 77 CO 0.00 0.32 0.74 0.61 0.00 0.00 0.00 175.10 176.77 1wif n GLY 78 N 4.10 -1.05 2.07 4.51 0.00 -1.26 -0.13 105.19 113.42 1wif n GLY 78 Ca -0.13 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.83 -1.30 -3.92 1.61 -0.00 -1.26 -4.86 115.22 101.66 1wif n HIS 79 Ca -0.12 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.76 1wif n HIS 79 Cb 0.59 -1.83 -0.14 0.00 -0.12 0.00 0.00 29.99 28.49 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 -1.99 3.01 -0.89 1.57 0.00 0.81 -5.04 121.76 119.23 1wif s ALA 80 Ca 0.00 -2.99 -0.13 0.00 0.00 0.00 0.00 51.96 48.84 1wif s ALA 80 Cb 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 23.12 20.78 1wif s ALA 80 CO 0.00 -1.95 2.15 -1.71 0.00 0.00 0.00 175.76 174.25 1wif n ASN 81 N 3.44 -0.61 -1.69 0.00 2.85 -1.26 -2.52 115.26 115.47 1wif n ASN 81 Ca 0.05 -0.88 -0.13 0.00 -0.11 0.00 0.00 54.58 53.51 1wif n ASN 81 Cb 0.35 -0.85 0.10 0.00 1.24 0.00 0.00 39.78 40.62 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 6.36 2.24 0.00 3.44 0.24 -1.26 -4.57 118.33 124.78 1wif n VAL 82 Ca 0.58 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1wif n VAL 82 Cb 0.24 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1wif n VAL 82 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1wif n LEU 83 N -0.42 0.00 -1.51 1.34 0.00 -1.26 -3.27 117.00 111.88 1wif n LEU 83 Ca 0.34 0.96 -0.07 0.00 0.00 0.00 0.00 56.01 57.24 1wif n LEU 83 Cb 1.16 -0.47 0.14 0.00 0.00 0.00 0.00 43.42 44.25 1wif n LEU 83 CO 0.34 -0.47 0.80 0.61 0.00 0.00 0.00 177.39 178.67 1wif n GLY 84 N -0.92 2.95 3.77 -3.96 0.00 -1.26 -4.25 105.19 101.52 1wif n GLY 84 Ca 0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.85 3.60 0.66 1.61 1.51 -1.20 -4.93 117.35 116.75 1wif s TYR 85 Ca 0.30 1.75 0.00 0.00 -1.01 0.00 0.00 57.07 58.11 1wif s TYR 85 Cb 0.25 -3.12 0.09 0.00 -0.11 0.00 0.00 41.96 39.07 1wif s TYR 85 CO 0.07 -0.22 0.91 0.95 -1.11 0.00 0.00 175.55 176.15 1wif s THR 86 N -1.37 2.31 0.12 -0.71 -4.23 -1.26 -4.45 115.64 106.05 1wif s THR 86 Ca 0.48 -0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 1wif s THR 86 Cb -0.26 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1wif s THR 86 CO 0.33 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.34 1wif h LEU 87 N -0.30 0.40 -0.42 4.79 5.85 -1.93 0.63 115.31 124.32 1wif h LEU 87 Ca -0.38 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.07 1wif h LEU 87 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1wif h LEU 87 CO 0.45 0.42 -0.26 0.08 -0.34 0.00 0.00 178.44 178.79 1wif h ARG 88 N 0.35 0.92 0.00 1.25 0.11 -1.99 -0.33 114.38 114.68 1wif h ARG 88 Ca 0.10 -0.42 -0.07 0.00 0.10 0.00 0.00 59.98 59.69 1wif h ARG 88 Cb 0.13 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1wif h ARG 88 CO -0.01 1.08 -0.34 0.93 0.10 0.00 0.00 179.97 181.72 1wif h GLU 89 N 0.74 0.00 0.00 0.08 4.39 -1.91 -2.49 114.58 115.39 1wif h GLU 89 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1wif h GLU 89 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1wif h GLU 89 CO 0.07 0.34 -0.00 0.35 -1.16 0.00 0.00 179.01 178.62 1wif h PHE 90 N 0.00 -0.00 -0.15 4.33 3.57 0.46 -2.88 116.94 122.27 1wif h PHE 90 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1wif h PHE 90 Cb 0.94 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1wif h PHE 90 CO 0.00 0.92 0.03 -0.07 -2.23 0.00 0.00 178.31 176.97 1wif h LEU 91 N -0.99 0.18 -0.49 0.59 -0.00 -1.11 -1.59 115.31 111.89 1wif h LEU 91 Ca -0.00 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 1wif h LEU 91 Cb 0.92 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.53 1wif h LEU 91 CO 0.00 0.19 -0.72 0.07 -0.00 0.00 0.00 178.44 177.98 1wif h LYS 92 N 0.20 0.22 0.47 1.13 5.09 -1.54 -2.92 116.57 119.23 1wif h LYS 92 Ca 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 60.65 60.58 1wif h LYS 92 Cb 0.09 0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.46 1wif h LYS 92 CO -0.00 0.85 -0.23 1.25 -2.09 0.00 0.00 179.45 179.23 1wif h LEU 93 N 0.15 -0.54 -1.62 7.07 5.85 -1.08 -3.03 115.31 122.11 1wif h LEU 93 Ca -0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wif h LEU 93 Cb 1.28 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1wif h LEU 93 CO 0.11 -0.12 0.12 -0.07 -0.34 0.00 0.00 178.44 178.14 1wif h LEU 94 N -1.10 0.00 0.00 2.25 3.38 -1.49 0.24 115.31 118.59 1wif h LEU 94 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wif h LEU 94 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 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 -2.42 0.26 0.00 1.13 6.02 -1.10 -2.38 117.38 118.88 1wif n GLN 95 Ca -0.02 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.14 1wif n GLN 95 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.33 1.19 -4.79 1.08 5.03 0.85 -4.97 115.26 112.31 1wif n ASN 96 Ca 0.10 -1.09 -0.36 0.00 0.87 0.00 0.00 54.58 54.10 1wif n ASN 96 Cb 0.20 0.80 -0.06 0.00 -1.02 0.00 0.00 39.78 39.69 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wif s ILE 97 N -2.43 4.14 0.36 2.41 -1.09 -1.00 -5.07 121.20 118.52 1wif s ILE 97 Ca 0.10 1.58 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 1wif s ILE 97 Cb 0.14 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1wif s ILE 97 CO 0.62 -0.05 0.50 -0.89 -1.23 0.00 0.00 174.94 173.89 1wif s THR 98 N -1.81 3.76 0.62 2.92 2.01 -1.26 -5.05 115.64 116.83 1wif s THR 98 Ca 0.56 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.38 1wif s THR 98 Cb -0.16 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1wif s THR 98 CO 0.21 -0.11 1.19 -0.63 -0.69 0.00 0.00 174.62 174.59 1wif s ILE 99 N -2.23 2.66 -1.30 1.82 1.01 -1.26 -3.47 121.20 118.42 1wif s ILE 99 Ca 0.48 0.38 -0.04 0.00 0.00 0.00 0.00 60.65 61.46 1wif s ILE 99 Cb -0.10 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1wif s ILE 99 CO 0.32 -0.12 1.02 0.61 0.00 0.00 0.00 174.94 176.77 1wif n GLY 100 N 0.36 -0.43 3.44 6.18 0.00 -0.29 -4.94 105.19 109.51 1wif n GLY 100 Ca 0.13 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.39 4.73 -0.39 2.61 2.01 -1.23 -4.86 115.64 115.13 1wif s THR 101 Ca 0.27 -0.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 1wif s THR 101 Cb -0.12 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1wif s THR 101 CO 0.75 -0.01 1.06 -0.69 -0.69 0.00 0.00 174.62 175.04 1wif s VAL 102 N 1.62 4.42 0.23 3.82 1.01 -1.26 -3.82 120.40 126.43 1wif s VAL 102 Ca 0.04 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1wif s VAL 102 Cb -0.18 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 1wif s VAL 102 CO 0.07 -0.68 0.09 -0.76 0.00 0.00 0.00 175.10 173.82 1wif s LEU 103 N 3.89 1.62 -0.40 3.92 1.43 -1.26 -5.02 118.68 122.85 1wif s LEU 103 Ca 0.44 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1wif s LEU 103 Cb -0.10 0.09 0.07 0.00 0.03 0.00 0.00 46.19 46.28 1wif s LEU 103 CO 0.22 -0.73 0.23 -1.58 0.23 0.00 0.00 176.35 174.72 1wif s GLN 104 N -4.04 2.55 -0.74 1.70 0.74 -1.26 -3.87 119.66 114.74 1wif s GLN 104 Ca 0.36 -1.44 -0.19 0.00 0.05 0.00 0.00 55.36 54.13 1wif s GLN 104 Cb 0.07 -3.70 0.11 0.00 1.10 0.00 0.00 33.01 30.59 1wif s GLN 104 CO 0.12 -0.91 0.91 0.42 -0.55 0.00 0.00 175.29 175.27 1wif s ILE 105 N 1.39 4.74 -0.43 -2.34 -1.09 -0.96 -4.24 121.20 118.28 1wif s ILE 105 Ca 0.03 -1.16 -0.21 0.00 -2.23 0.00 0.00 60.65 57.07 1wif s ILE 105 Cb -0.22 -4.63 0.02 0.00 -1.58 0.00 0.00 42.46 36.05 1wif s ILE 105 CO 0.02 -1.32 0.69 -0.75 -1.23 0.00 0.00 174.94 172.34 1wif s LYS 106 N 2.80 3.39 0.03 2.79 2.20 -1.25 -3.10 119.74 126.60 1wif s LYS 106 Ca 0.21 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.67 1wif s LYS 106 Cb -0.15 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 1wif s LYS 106 CO 0.01 -0.99 -0.17 0.00 -0.36 0.00 0.00 175.35 173.84 1wif s ALA 107 N 2.95 1.39 -0.54 3.13 0.00 -0.12 0.18 121.76 128.74 1wif s ALA 107 Ca 0.25 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1wif s ALA 107 Cb -0.14 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1wif s ALA 107 CO 0.19 0.30 0.74 0.71 0.00 0.00 0.00 175.76 177.70 1wif s TYR 108 N -0.73 2.95 -0.24 0.00 2.02 -1.09 -2.32 117.35 117.94 1wif s TYR 108 Ca 0.04 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1wif s TYR 108 Cb -0.08 -3.79 -0.07 0.00 -0.40 0.00 0.00 41.96 37.62 1wif s TYR 108 CO 0.01 -1.20 3.08 -2.13 -1.57 0.00 0.00 175.55 173.74 1wif n ARG 109 N 6.61 2.17 0.00 -0.62 0.63 -1.26 -3.55 116.66 120.64 1wif n ARG 109 Ca -0.05 -1.68 0.00 0.00 -0.92 0.00 0.00 57.85 55.20 1wif n ARG 109 Cb 0.45 -2.03 0.00 0.00 0.45 0.00 0.00 32.46 31.34 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 1.55 0.00 0.16 5.14 0.00 -1.26 -4.97 105.19 105.81 1wif n GLY 110 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 1wif n GLY 110 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wif h PHE 111 N 0.00 -0.42 -4.06 1.61 3.57 -1.95 -3.44 116.94 112.26 1wif h PHE 111 Ca 0.00 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 1wif h PHE 111 Cb 0.00 0.15 0.05 0.00 2.79 0.00 0.00 35.95 38.95 1wif h PHE 111 CO 0.00 -0.22 0.30 -0.51 -2.23 0.00 0.00 178.31 175.65 1wif s LEU 112 N -6.05 3.32 0.16 0.59 1.43 -1.26 -5.09 118.68 111.78 1wif s LEU 112 Ca -0.06 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 1wif s LEU 112 Cb 0.01 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 1wif s LEU 112 CO 0.18 -0.84 0.12 -1.61 0.23 0.00 0.00 176.35 174.43 1wif s GLU 113 N -5.04 2.86 -0.17 1.70 2.02 -1.26 -5.01 118.70 113.80 1wif s GLU 113 Ca 0.53 -0.87 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 1wif s GLU 113 Cb -0.11 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 1wif s GLU 113 CO 0.50 0.49 0.24 0.42 0.02 0.00 0.00 175.26 176.93 1wif s ILE 114 N -1.71 5.34 -0.42 -1.63 1.01 -1.26 -5.04 121.20 117.49 1wif s ILE 114 Ca 0.30 0.43 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 1wif s ILE 114 Cb -0.10 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1wif s ILE 114 CO 0.23 0.42 1.75 -2.16 0.00 0.00 0.00 174.94 175.17 1wif s PRO 115 N 0.33 3.19 0.30 2.79 0.04 -1.26 -4.87 135.00 135.51 1wif s PRO 115 Ca 0.14 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.35 1wif s PRO 115 Cb -0.12 -4.22 0.78 0.00 0.04 0.00 0.00 34.50 30.98 1wif s PRO 115 CO 0.02 -2.04 1.69 1.96 0.04 0.00 0.00 177.00 178.67 1wif h GLN 116 N 13.04 0.37 -0.98 4.56 1.08 -1.96 0.16 115.11 131.38 1wif h GLN 116 Ca -0.30 -0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.19 1wif h GLN 116 Cb 1.16 -0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 28.35 1wif h GLN 116 CO 1.09 0.24 0.49 0.93 -0.95 0.00 0.00 178.83 180.63 1wif h GLU 117 N 0.38 0.25 0.00 1.46 5.08 -2.01 -2.38 114.58 117.36 1wif h GLU 117 Ca 0.59 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1wif h GLU 117 Cb 1.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wif h GLU 117 CO -0.55 0.17 0.00 0.91 -1.00 0.00 0.00 179.01 178.54 1wif n TRP 118 N -5.12 0.00 -1.64 4.33 7.02 0.56 -4.77 117.44 117.82 1wif n TRP 118 Ca 0.30 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.41 1wif n TRP 118 Cb 0.95 -0.47 0.06 0.00 -2.42 0.00 0.00 31.31 29.43 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 -1.91 0.91 -0.14 -0.99 10.64 -0.90 -4.96 117.38 120.04 1wif n GLN 119 Ca 0.00 0.36 -0.27 0.00 -1.83 0.00 0.00 57.00 55.26 1wif n GLN 119 Cb 0.00 -2.25 -0.11 0.00 -0.86 0.00 0.00 30.24 27.02 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 -1.09 1.97 0.00 2.61 2.03 -1.26 -4.89 116.55 115.92 1wif n ASP 120 Ca 0.14 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1wif n ASP 120 Cb 0.48 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1wif n ASP 120 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wif n SER 121 N -3.99 0.00 0.00 1.67 2.88 -1.26 -4.90 113.62 108.02 1wif n SER 121 Ca -0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1wif n SER 121 Cb 0.92 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 122 N 0.00 0.29 0.00 0.46 0.00 -1.26 -4.68 105.19 100.00 1wif n GLY 122 Ca 0.00 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 0.30 -1.74 1.61 -0.04 -1.26 -4.82 135.00 129.05 1wif n PRO 123 Ca 0.00 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1wif n PRO 123 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wif n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wif n SER 124 N -1.19 3.23 -2.07 3.54 7.64 -1.26 -4.40 113.62 119.11 1wif n SER 124 Ca 0.08 1.20 -0.02 0.00 1.01 0.00 0.00 58.87 61.15 1wif n SER 124 Cb 0.10 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 61.73 1wif n SER 124 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 125 N 0.52 -3.42 0.00 6.43 2.88 -1.26 -5.12 113.62 113.65 1wif n SER 125 Ca 0.03 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1wif n SER 125 Cb 0.38 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 60.08 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42