#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 -0.04 -0.01 1.61 0.15 -1.26 -5.19 113.70 108.96 1wif s SER 2 Ca 0.00 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.15 1wif s SER 2 Cb 0.00 0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1wif s SER 2 CO 0.00 -0.38 0.96 -0.55 1.20 0.00 0.00 173.24 174.47 1wif s SER 3 N -3.23 -0.30 -0.23 5.45 0.15 -1.26 -5.15 113.70 109.13 1wif s SER 3 Ca 0.19 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 1wif s SER 3 Cb 0.03 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 1wif s SER 3 CO -0.02 -0.59 0.06 -0.83 1.20 0.00 0.00 173.24 173.06 1wif s GLY 4 N -2.51 0.79 -0.30 9.45 0.00 -1.26 -5.09 107.32 108.40 1wif s GLY 4 Ca 0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1wif s GLY 4 CO -0.07 1.51 0.71 -1.35 0.00 0.00 0.00 173.10 173.90 1wif s SER 5 N 1.81 -1.11 -0.14 1.64 1.04 -1.26 -5.15 113.70 110.54 1wif s SER 5 Ca 0.02 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1wif s SER 5 Cb -0.17 2.09 0.03 0.00 0.10 0.00 0.00 66.02 68.07 1wif s SER 5 CO -0.14 -0.21 -0.11 -0.94 0.98 0.00 0.00 173.24 172.82 1wif s SER 6 N 2.83 2.57 0.00 7.02 1.04 -1.26 -5.07 113.70 120.83 1wif s SER 6 Ca 0.05 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wif s SER 6 Cb -0.12 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1wif s SER 6 CO -0.19 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1wif n GLY 7 N 4.83 -1.92 1.46 7.32 0.00 -1.26 -5.06 105.19 110.56 1wif n GLY 7 Ca -0.15 -1.51 0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.16 -8.72 -1.08 1.61 2.88 -1.26 -4.97 113.62 99.91 1wif n SER 8 Ca 0.00 0.76 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1wif n SER 8 Cb 0.00 -4.54 -0.03 0.00 -0.75 0.00 0.00 64.21 58.89 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wif n LYS 9 N -4.30 -1.72 -1.97 -1.46 4.81 -1.26 -4.88 118.16 107.38 1wif n LYS 9 Ca -0.01 1.13 -0.29 0.00 -0.87 0.00 0.00 58.31 58.27 1wif n LYS 9 Cb 0.67 -2.09 0.17 0.00 0.02 0.00 0.00 35.03 33.80 1wif n LYS 9 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1wif s ASN 10 N -5.61 3.30 0.36 3.14 -0.87 -1.26 -4.94 114.94 109.05 1wif s ASN 10 Ca 0.00 0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.56 1wif s ASN 10 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 1wif s ASN 10 CO 0.00 -2.62 0.00 -0.62 -2.57 0.00 0.00 177.10 171.29 1wif n GLU 11 N -3.68 -2.71 -1.85 -0.60 1.02 -1.26 -4.90 120.64 106.66 1wif n GLU 11 Ca 0.15 1.89 -0.02 0.00 -0.02 0.00 0.00 57.16 59.15 1wif n GLU 11 Cb 0.60 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 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 -4.01 -0.21 -2.67 3.49 5.02 -1.26 -4.70 118.16 113.81 1wif n LYS 12 Ca -0.01 0.41 -0.43 0.00 -2.02 0.00 0.00 58.31 56.26 1wif n LYS 12 Cb 0.60 -0.53 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 1wif n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wif s GLU 13 N -0.57 3.94 0.00 1.97 2.02 -1.26 -4.42 118.70 120.38 1wif s GLU 13 Ca 0.02 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.03 1wif s GLU 13 Cb -0.00 -5.39 0.00 0.00 0.10 0.00 0.00 34.13 28.84 1wif s GLU 13 CO 0.05 -2.13 0.47 1.04 0.02 0.00 0.00 175.26 174.71 1wif n GLN 14 N 7.82 0.31 -0.65 1.61 6.02 -1.26 -5.11 117.38 126.13 1wif n GLN 14 Ca 0.43 -0.53 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 1wif n GLN 14 Cb 0.46 -0.57 0.18 0.00 1.02 0.00 0.00 30.24 31.34 1wif n GLN 14 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1wif n LEU 15 N -0.06 -2.12 0.00 1.08 -0.00 -1.26 -4.91 117.00 109.74 1wif n LEU 15 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1wif n LEU 15 Cb 0.42 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 1wif n LEU 15 CO 0.00 -3.14 0.00 -1.20 -0.00 0.00 0.00 177.39 173.05 1wif n SER 16 N -2.12 0.00 -4.43 1.45 7.64 -1.26 -4.99 113.62 109.91 1wif n SER 16 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.55 1wif n SER 16 Cb 0.61 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.91 1wif n SER 16 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wif n LYS 17 N -0.05 -0.04 -2.70 1.43 5.02 -1.26 -4.99 118.16 115.58 1wif n LYS 17 Ca 0.00 0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 1wif n LYS 17 Cb 0.00 -1.84 0.10 0.00 -0.02 0.00 0.00 35.03 33.27 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 -3.09 -1.92 -3.61 7.82 0.00 -1.26 -5.16 120.51 113.28 1wif n ALA 18 Ca 0.08 -0.97 -0.18 0.00 0.00 0.00 0.00 53.44 52.37 1wif n ALA 18 Cb 0.52 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.91 1wif n ALA 18 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wif n LYS 19 N 0.57 0.92 -4.76 0.00 0.00 -1.26 -5.13 118.16 108.50 1wif n LYS 19 Ca 0.01 -2.18 -0.33 0.00 -0.00 0.00 0.00 58.31 55.81 1wif n LYS 19 Cb 0.72 0.16 -0.13 0.00 -0.00 0.00 0.00 35.03 35.78 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wif s ALA 20 N -2.50 2.73 -0.55 0.58 0.00 -1.26 -5.03 121.76 115.73 1wif s ALA 20 Ca 0.24 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1wif s ALA 20 Cb -0.02 -1.16 0.42 0.00 0.00 0.00 0.00 23.12 22.36 1wif s ALA 20 CO 0.15 0.41 1.56 0.45 0.00 0.00 0.00 175.76 178.33 1wif n SER 21 N 2.88 6.11 -4.84 0.00 2.88 -1.26 -5.04 113.62 114.35 1wif n SER 21 Ca -0.18 -3.77 -0.30 0.00 -1.33 0.00 0.00 58.87 53.29 1wif n SER 21 Cb 0.53 -0.69 0.06 0.00 -0.75 0.00 0.00 64.21 63.35 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 -5.04 3.50 0.00 2.46 0.11 -1.26 -4.89 120.40 115.27 1wif s VAL 22 Ca 0.53 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1wif s VAL 22 Cb 0.44 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1wif s VAL 22 CO -0.15 -0.64 0.00 -0.24 -3.33 0.00 0.00 175.10 170.74 1wif n SER 23 N -3.18 0.00 -2.68 3.54 2.88 -1.26 -5.01 113.62 107.92 1wif n SER 23 Ca 0.07 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1wif n SER 23 Cb 0.56 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.07 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wif n SER 24 N 0.00 -1.45 -4.24 -3.46 2.88 -1.26 -5.14 113.62 100.95 1wif n SER 24 Ca 0.00 -2.05 -0.32 0.00 -1.33 0.00 0.00 58.87 55.17 1wif n SER 24 Cb 0.00 1.10 -0.17 0.00 -0.75 0.00 0.00 64.21 64.39 1wif n SER 24 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1wif s LEU 25 N -2.31 2.10 -0.31 2.46 0.05 -1.26 -5.10 118.68 114.30 1wif s LEU 25 Ca 0.12 -0.54 0.01 0.00 0.05 0.00 0.00 54.13 53.77 1wif s LEU 25 Cb 0.20 -1.40 0.07 0.00 -2.05 0.00 0.00 46.19 43.01 1wif s LEU 25 CO -0.06 0.19 -0.00 0.20 -0.55 0.00 0.00 176.35 176.12 1wif s ASN 26 N 0.18 4.76 -0.13 1.48 0.01 -1.26 -5.10 114.94 114.88 1wif s ASN 26 Ca -0.14 -1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 50.37 1wif s ASN 26 Cb -0.17 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1wif s ASN 26 CO 0.07 -0.30 -0.03 -0.75 -1.51 0.00 0.00 177.10 174.58 1wif s LYS 27 N 1.11 3.46 -0.01 -0.60 2.36 -1.26 -5.11 119.74 119.69 1wif s LYS 27 Ca -0.01 -0.50 0.05 0.00 -2.55 0.00 0.00 55.97 52.96 1wif s LYS 27 Cb -0.20 -2.86 -0.01 0.00 -1.05 0.00 0.00 37.83 33.71 1wif s LYS 27 CO -0.04 0.36 -0.17 0.08 1.55 0.00 0.00 175.35 177.13 1wif s VAL 28 N 0.03 1.35 -0.17 4.02 1.01 -1.26 -4.37 120.40 121.01 1wif s VAL 28 Ca 0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1wif s VAL 28 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1wif s VAL 28 CO 0.03 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 175.00 1wif s ILE 29 N -0.40 5.30 -0.22 2.22 -1.09 -0.22 -5.00 121.20 121.79 1wif s ILE 29 Ca 0.07 0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.55 1wif s ILE 29 Cb -0.07 -3.38 0.10 0.00 -1.58 0.00 0.00 42.46 37.54 1wif s ILE 29 CO -0.01 0.50 0.46 0.00 -1.23 0.00 0.00 174.94 174.66 1wif s GLN 30 N -0.08 0.37 0.04 2.79 -2.07 -1.26 -0.07 119.66 119.38 1wif s GLN 30 Ca 0.09 1.11 -0.05 0.00 -1.82 0.00 0.00 55.36 54.70 1wif s GLN 30 Cb -0.11 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.22 1wif s GLN 30 CO 0.00 -0.24 0.08 -0.08 -1.32 0.00 0.00 175.29 173.73 1wif s THR 31 N 2.66 0.14 -0.15 3.63 -1.32 -1.18 -4.95 115.64 114.47 1wif s THR 31 Ca -0.02 -1.19 -0.16 0.00 -1.21 0.00 0.00 61.69 59.11 1wif s THR 31 Cb -0.12 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1wif s THR 31 CO -0.14 -0.66 0.38 -0.54 -2.21 0.00 0.00 174.62 171.46 1wif s LYS 32 N -2.83 4.28 -0.12 7.08 3.01 -1.26 -2.65 119.74 127.26 1wif s LYS 32 Ca -0.03 0.25 -0.01 0.00 -1.01 0.00 0.00 55.97 55.17 1wif s LYS 32 Cb 0.00 -3.44 -0.02 0.00 -1.01 0.00 0.00 37.83 33.35 1wif s LYS 32 CO -0.06 0.17 -0.09 -0.51 0.51 0.00 0.00 175.35 175.37 1wif s LEU 33 N 0.64 2.98 -0.94 3.17 1.43 -1.24 -4.96 118.68 119.76 1wif s LEU 33 Ca 0.21 -0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 1wif s LEU 33 Cb -0.14 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.45 1wif s LEU 33 CO 0.07 0.22 1.40 -0.89 0.23 0.00 0.00 176.35 177.38 1wif s THR 34 N 0.02 3.87 0.05 5.49 2.01 -1.26 -4.20 115.64 121.62 1wif s THR 34 Ca -0.02 -0.42 -0.38 0.00 0.31 0.00 0.00 61.69 61.19 1wif s THR 34 Cb -0.14 -5.02 -0.18 0.00 0.01 0.00 0.00 72.50 67.17 1wif s THR 34 CO 0.03 -1.91 1.16 0.52 -0.69 0.00 0.00 174.62 173.73 1wif n VAL 35 N 6.73 0.14 -1.81 3.82 0.31 -1.19 -4.54 118.33 121.79 1wif n VAL 35 Ca 0.24 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1wif n VAL 35 Cb 0.50 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1wif n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wif n GLY 36 N 1.96 1.37 0.16 2.92 0.00 -1.26 -0.15 105.19 110.19 1wif n GLY 36 Ca 0.19 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 1wif n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wif h ASN 37 N 0.00 0.27 0.06 1.61 -1.24 -1.93 -3.01 115.58 111.35 1wif h ASN 37 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1wif h ASN 37 Cb 0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1wif h ASN 37 CO 0.00 0.83 -0.29 0.18 -1.29 0.00 0.00 177.43 176.86 1wif n LEU 38 N -3.85 1.81 -1.63 0.34 4.77 -1.26 -4.99 117.00 112.19 1wif n LEU 38 Ca -0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1wif n LEU 38 Cb 0.64 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1wif n LEU 38 CO 0.45 0.33 -0.44 0.61 -1.33 0.00 0.00 177.39 177.01 1wif n GLY 39 N 1.36 -4.76 3.41 -0.72 0.00 -1.14 -4.59 105.19 98.75 1wif n GLY 39 Ca 0.12 -0.59 -0.49 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.18 1.13 -1.80 0.99 -0.00 -1.26 -4.78 117.00 111.10 1wif n LEU 40 Ca 0.00 0.33 -0.16 0.00 -0.00 0.00 0.00 56.01 56.17 1wif n LEU 40 Cb 0.00 -1.07 0.19 0.00 -0.00 0.00 0.00 43.42 42.53 1wif n LEU 40 CO 0.00 -0.83 1.04 0.61 -0.00 0.00 0.00 177.39 178.21 1wif n GLY 41 N 6.78 4.69 1.23 1.47 0.00 -1.26 -5.02 105.19 113.08 1wif n GLY 41 Ca 0.53 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1wif n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wif n LEU 42 N -1.14 0.30 -4.27 0.99 4.32 -1.26 -4.52 117.00 111.41 1wif n LEU 42 Ca 0.49 0.28 -0.20 0.00 -0.02 0.00 0.00 56.01 56.56 1wif n LEU 42 Cb 1.40 -0.33 -0.11 0.00 -1.62 0.00 0.00 43.42 42.76 1wif n LEU 42 CO 0.44 -0.29 1.14 0.52 -1.22 0.00 0.00 177.39 177.98 1wif n VAL 43 N 2.27 0.00 -3.46 4.08 0.31 0.63 -4.84 118.33 117.32 1wif n VAL 43 Ca 0.19 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 64.13 1wif n VAL 43 Cb -0.02 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 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 13.64 4.97 0.53 2.52 0.11 -1.26 -0.81 120.40 140.10 1wif s VAL 44 Ca 0.72 0.68 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 1wif s VAL 44 Cb 0.00 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1wif s VAL 44 CO 0.21 0.29 0.45 0.27 -3.33 0.00 0.00 175.10 172.99 1wif s ILE 45 N -1.40 1.84 -0.79 7.04 -4.36 -1.15 -4.87 121.20 117.51 1wif s ILE 45 Ca 0.34 -1.41 -0.12 0.00 -0.26 0.00 0.00 60.65 59.20 1wif s ILE 45 Cb -0.15 -2.26 0.21 0.00 1.25 0.00 0.00 42.46 41.51 1wif s ILE 45 CO 0.18 0.00 0.71 -1.58 0.24 0.00 0.00 174.94 174.50 1wif s GLN 46 N -4.31 3.43 -0.31 0.37 -0.44 -1.26 -3.84 119.66 113.30 1wif s GLN 46 Ca 0.39 -2.48 0.03 0.00 -2.50 0.00 0.00 55.36 50.81 1wif s GLN 46 Cb -0.03 -4.31 0.08 0.00 -1.64 0.00 0.00 33.01 27.11 1wif s GLN 46 CO 0.24 -1.27 -0.01 0.54 0.50 0.00 0.00 175.29 175.29 1wif s ASN 47 N 1.92 4.66 0.37 6.67 4.22 -1.25 -5.06 114.94 126.46 1wif s ASN 47 Ca 0.18 -1.82 0.00 0.00 -2.14 0.00 0.00 52.86 49.08 1wif s ASN 47 Cb -0.12 -1.61 0.00 0.00 1.28 0.00 0.00 41.25 40.80 1wif s ASN 47 CO -0.08 -0.30 0.00 0.61 -2.04 0.00 0.00 177.10 175.29 1wif n GLY 48 N 4.35 -1.57 0.00 0.45 0.00 -1.26 -3.69 105.19 103.47 1wif n GLY 48 Ca -0.04 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.66 0.41 -4.36 1.61 -0.04 -1.26 -4.67 135.00 126.02 1wif n PRO 49 Ca 0.00 0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1wif n PRO 49 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 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 -2.17 1.12 0.03 0.54 2.02 -1.24 -3.93 117.35 113.71 1wif s TYR 50 Ca 0.21 -0.32 -0.20 0.00 -0.37 0.00 0.00 57.07 56.39 1wif s TYR 50 Cb 0.11 -0.68 -0.06 0.00 -0.40 0.00 0.00 41.96 40.93 1wif s TYR 50 CO 0.19 0.01 0.58 -0.51 -1.57 0.00 0.00 175.55 174.25 1wif s LEU 51 N -0.94 4.47 -0.07 -1.29 1.43 -1.26 -3.93 118.68 117.08 1wif s LEU 51 Ca 0.01 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1wif s LEU 51 Cb -0.07 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1wif s LEU 51 CO 0.01 0.19 -0.19 -1.10 0.23 0.00 0.00 176.35 175.48 1wif s GLN 52 N -0.63 2.76 -1.06 1.70 -0.21 -1.25 -3.37 119.66 117.59 1wif s GLN 52 Ca 0.30 -0.79 -0.25 0.00 0.02 0.00 0.00 55.36 54.64 1wif s GLN 52 Cb -0.19 -2.34 -0.14 0.00 1.00 0.00 0.00 33.01 31.34 1wif s GLN 52 CO 0.18 0.40 2.06 0.42 -2.12 0.00 0.00 175.29 176.23 1wif s ILE 53 N -0.17 3.28 0.37 1.08 1.01 -1.10 -2.95 121.20 122.70 1wif s ILE 53 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1wif s ILE 53 Cb -0.14 -4.10 0.29 0.00 0.01 0.00 0.00 42.46 38.52 1wif s ILE 53 CO 0.03 -0.53 1.97 -1.28 0.00 0.00 0.00 174.94 175.14 1wif h SER 54 N 10.98 0.65 -4.61 3.58 0.87 -1.81 -1.27 113.55 121.94 1wif h SER 54 Ca 0.10 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1wif h SER 54 Cb 0.98 -0.14 -0.20 0.00 -0.44 0.00 0.00 62.40 62.59 1wif h SER 54 CO 1.12 0.43 0.25 -2.28 -0.53 0.00 0.00 176.83 175.82 1wif s HIS 55 N -5.66 -0.62 -0.17 2.24 5.65 0.01 -4.81 115.29 111.93 1wif s HIS 55 Ca -0.10 1.17 -0.10 0.00 0.25 0.00 0.00 55.06 56.29 1wif s HIS 55 Cb 0.19 0.39 -0.05 0.00 -1.18 0.00 0.00 32.58 31.93 1wif s HIS 55 CO 0.77 -0.51 0.15 -0.51 -0.65 0.00 0.00 174.74 173.99 1wif s LEU 56 N -0.86 4.27 -0.50 8.88 1.43 -1.26 0.23 118.68 130.87 1wif s LEU 56 Ca -0.07 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 1wif s LEU 56 Cb -0.01 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1wif s LEU 56 CO 0.06 0.24 2.10 -0.63 0.23 0.00 0.00 176.35 178.35 1wif s ILE 57 N -0.05 3.21 0.17 -0.59 1.09 -1.26 -4.79 121.20 118.99 1wif s ILE 57 Ca 0.11 0.14 -0.19 0.00 -1.10 0.00 0.00 60.65 59.62 1wif s ILE 57 Cb -0.12 -3.47 0.12 0.00 -1.06 0.00 0.00 42.46 37.93 1wif s ILE 57 CO 0.00 -0.43 1.31 -3.20 -0.10 0.00 0.00 174.94 172.52 1wif n ASN 58 N 13.63 -0.66 -1.83 3.58 5.15 -1.26 0.90 115.26 134.77 1wif n ASN 58 Ca 0.28 1.48 -0.06 0.00 -0.60 0.00 0.00 54.58 55.68 1wif n ASN 58 Cb 0.52 -0.29 -0.09 0.00 -0.53 0.00 0.00 39.78 39.39 1wif n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wif n LYS 59 N -5.18 1.45 -2.14 1.20 4.76 -1.26 -4.55 118.16 112.44 1wif n LYS 59 Ca 0.06 -0.53 -0.01 0.00 -2.87 0.00 0.00 58.31 54.96 1wif n LYS 59 Cb 0.30 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 2.11 4.03 0.11 0.72 0.00 0.26 -4.81 105.19 107.61 1wif n GLY 60 Ca 0.23 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 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 1.05 0.16 -0.84 4.61 0.00 -1.80 -3.29 119.26 119.15 1wif h ALA 61 Ca -0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1wif h ALA 61 Cb 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1wif h ALA 61 CO 0.03 0.69 0.45 0.00 0.00 0.00 0.00 179.25 180.41 1wif h ALA 62 N -0.12 1.08 0.00 0.00 0.00 -1.92 -0.65 119.26 117.66 1wif h ALA 62 Ca -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wif h ALA 62 Cb 1.58 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wif h ALA 62 CO 0.01 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1wif h ALA 63 N 1.24 1.00 -0.09 0.00 0.00 -1.72 -1.51 119.26 118.17 1wif h ALA 63 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wif h ALA 63 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wif h ALA 63 CO -0.04 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1wif n SER 64 N -2.87 2.58 -4.53 0.00 7.64 -0.55 -4.90 113.62 110.99 1wif n SER 64 Ca -0.01 -1.76 -0.41 0.00 1.01 0.00 0.00 58.87 57.71 1wif n SER 64 Cb 0.19 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.38 6.11 0.00 6.43 -1.08 -0.36 -4.96 116.67 121.43 1wif s ASP 65 Ca 0.22 -0.40 -0.04 0.00 -0.52 0.00 0.00 52.55 51.82 1wif s ASP 65 Cb 0.15 -2.16 -0.16 0.00 -1.46 0.00 0.00 42.92 39.28 1wif s ASP 65 CO 0.22 -0.30 2.62 0.61 0.52 0.00 0.00 175.17 178.84 1wif n GLY 66 N 5.05 2.44 1.83 2.66 0.00 -1.26 -3.66 105.19 112.26 1wif n GLY 66 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.40 0.20 -2.48 -0.61 2.08 -1.26 -5.09 119.36 114.59 1wif n ILE 67 Ca 0.26 0.07 -0.39 0.00 0.56 0.00 0.00 62.75 63.24 1wif n ILE 67 Cb 0.64 -0.65 -0.04 0.00 -0.75 0.00 0.00 39.64 38.84 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 -6.85 4.44 0.13 1.39 1.43 -1.24 -5.06 118.68 112.92 1wif s LEU 68 Ca 0.00 2.22 0.08 0.00 -1.03 0.00 0.00 54.13 55.40 1wif s LEU 68 Cb 0.00 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1wif s LEU 68 CO 0.00 -0.25 -0.19 0.00 0.23 0.00 0.00 176.35 176.14 1wif s GLN 69 N -1.73 1.17 -1.16 1.70 -2.07 -1.26 -4.93 119.66 111.37 1wif s GLN 69 Ca 0.48 -1.27 -0.23 0.00 -1.82 0.00 0.00 55.36 52.53 1wif s GLN 69 Cb -0.29 -1.30 -0.09 0.00 -1.09 0.00 0.00 33.01 30.23 1wif s GLN 69 CO 0.38 0.28 1.93 -0.35 -1.32 0.00 0.00 175.29 176.21 1wif n PRO 70 N 0.70 1.59 0.00 9.60 -0.04 -1.26 -3.44 135.00 142.14 1wif n PRO 70 Ca -0.16 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1wif n PRO 70 Cb 0.55 -3.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 5.71 0.00 1.15 0.55 0.00 -0.48 -4.76 105.19 107.36 1wif n GLY 71 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 1.59 -3.65 1.61 8.00 -1.22 -4.77 116.55 118.11 1wif n ASP 72 Ca 0.00 -1.58 -0.29 0.00 0.71 0.00 0.00 54.79 53.62 1wif n ASP 72 Cb 0.00 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wif s VAL 73 N -0.88 0.78 0.34 2.53 1.01 -1.16 -2.72 120.40 120.31 1wif s VAL 73 Ca 0.09 -1.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 1wif s VAL 73 Cb -0.01 -1.58 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 1wif s VAL 73 CO 0.06 -0.81 1.32 0.18 0.00 0.00 0.00 175.10 175.85 1wif n LEU 74 N 4.35 3.68 -1.08 3.92 4.77 -1.22 -2.48 117.00 128.93 1wif n LEU 74 Ca 0.03 1.21 0.03 0.00 -0.03 0.00 0.00 56.01 57.25 1wif n LEU 74 Cb 0.39 -1.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1wif n LEU 74 CO 0.15 -0.41 0.14 -0.38 -1.33 0.00 0.00 177.39 175.57 1wif n ILE 75 N 0.44 0.07 0.00 -0.08 -0.00 0.17 -4.09 119.36 115.87 1wif n ILE 75 Ca 0.05 -0.68 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1wif n ILE 75 Cb 0.36 0.77 0.00 0.00 -0.00 0.00 0.00 39.64 40.77 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 0.25 0.00 -4.38 4.38 3.41 -1.25 -4.26 113.62 111.76 1wif n SER 76 Ca 0.04 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.21 1wif n SER 76 Cb 0.96 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 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 4.78 0.00 -3.33 1.01 -0.91 -3.74 120.40 118.21 1wif s VAL 77 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1wif s VAL 77 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1wif s VAL 77 CO 0.00 -1.18 0.00 0.61 0.00 0.00 0.00 175.10 174.53 1wif n GLY 78 N 5.26 0.48 2.83 4.51 0.00 -1.26 -3.61 105.19 113.40 1wif n GLY 78 Ca -0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.01 -0.00 -3.94 1.61 -0.00 -1.26 -4.91 115.22 105.71 1wif n HIS 79 Ca 0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 1wif n HIS 79 Cb 0.48 -2.62 -0.14 0.00 -0.12 0.00 0.00 29.99 27.60 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 -1.74 3.05 -0.88 1.57 0.00 -1.24 -5.03 121.76 117.49 1wif s ALA 80 Ca 0.00 -2.68 -0.17 0.00 0.00 0.00 0.00 51.96 49.11 1wif s ALA 80 Cb 0.00 -2.14 -0.23 0.00 0.00 0.00 0.00 23.12 20.75 1wif s ALA 80 CO 0.00 -1.78 2.25 -1.71 0.00 0.00 0.00 175.76 174.52 1wif n ASN 81 N 4.13 0.15 -0.46 0.00 2.85 -1.26 -2.13 115.26 118.54 1wif n ASN 81 Ca 0.03 -1.07 0.01 0.00 -0.11 0.00 0.00 54.58 53.44 1wif n ASN 81 Cb 0.40 -1.10 0.04 0.00 1.24 0.00 0.00 39.78 40.35 1wif n ASN 81 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1wif n VAL 82 N 7.15 0.21 -0.01 3.44 0.24 -1.26 -4.40 118.33 123.70 1wif n VAL 82 Ca 0.56 -0.12 -0.03 0.00 -2.04 0.00 0.00 64.34 62.71 1wif n VAL 82 Cb 0.29 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.39 -0.37 -3.45 1.34 6.46 -1.78 -2.19 115.31 115.71 1wif h LEU 83 Ca 0.00 0.04 -0.35 0.00 -0.12 0.00 0.00 57.88 57.46 1wif h LEU 83 Cb 0.46 0.14 -0.21 0.00 -0.73 0.00 0.00 40.66 40.33 1wif h LEU 83 CO 0.03 -0.10 0.44 0.61 -0.62 0.00 0.00 178.44 178.81 1wif n GLY 84 N -1.09 3.74 3.77 3.75 0.00 -1.25 -4.11 105.19 110.00 1wif n GLY 84 Ca -0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.48 3.94 0.39 1.61 1.51 -0.82 -4.98 117.35 116.51 1wif s TYR 85 Ca 0.43 1.74 -0.02 0.00 -1.01 0.00 0.00 57.07 58.21 1wif s TYR 85 Cb 0.36 -2.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.33 1wif s TYR 85 CO 0.09 0.49 0.63 0.95 -1.11 0.00 0.00 175.55 176.60 1wif s THR 86 N -1.17 5.04 0.42 -0.71 -4.23 -1.26 -4.43 115.64 109.29 1wif s THR 86 Ca 0.38 -0.23 0.16 0.00 -1.18 0.00 0.00 61.69 60.81 1wif s THR 86 Cb -0.24 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.10 1wif s THR 86 CO 0.28 -0.66 1.89 0.25 -0.54 0.00 0.00 174.62 175.85 1wif h LEU 87 N 0.58 0.42 -0.49 4.79 5.85 -1.94 0.71 115.31 125.24 1wif h LEU 87 Ca -0.49 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1wif h LEU 87 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1wif h LEU 87 CO 0.61 0.20 0.00 0.03 -0.34 0.00 0.00 178.44 178.95 1wif h ARG 88 N 0.44 0.00 0.00 1.25 -0.00 -1.99 -2.46 114.38 111.62 1wif h ARG 88 Ca 0.41 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.65 1wif h ARG 88 Cb 0.95 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.87 1wif h ARG 88 CO -0.15 0.00 -2.08 0.39 0.00 0.00 0.00 179.97 178.14 1wif n GLU 89 N -2.82 0.67 0.05 0.04 -0.58 0.18 -3.73 120.64 114.43 1wif n GLU 89 Ca 0.03 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.58 1wif n GLU 89 Cb 0.41 -1.59 -0.12 0.00 -0.57 0.00 0.00 31.44 29.57 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 0.00 0.90 -0.30 -0.32 3.57 0.16 -1.39 116.94 119.56 1wif h PHE 90 Ca -0.34 -0.53 -0.13 0.00 3.53 0.00 0.00 57.97 60.51 1wif h PHE 90 Cb 1.83 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1wif h PHE 90 CO 0.00 1.37 -0.33 -0.07 -2.23 0.00 0.00 178.31 177.04 1wif h LEU 91 N 0.19 0.67 -0.23 0.59 -0.00 -1.64 -2.34 115.31 112.54 1wif h LEU 91 Ca -0.14 -0.27 -0.16 0.00 -0.00 0.00 0.00 57.88 57.31 1wif h LEU 91 Cb 1.68 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.13 1wif h LEU 91 CO 0.19 0.95 -0.77 0.07 -0.00 0.00 0.00 178.44 178.88 1wif h LYS 92 N 0.55 0.00 0.22 1.13 5.09 -1.64 -3.14 116.57 118.77 1wif h LYS 92 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.79 1wif h LYS 92 Cb 0.83 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.16 1wif h LYS 92 CO 0.07 0.77 -0.10 1.25 -2.09 0.00 0.00 179.45 179.35 1wif h LEU 93 N 0.00 -0.25 -1.72 7.07 5.85 -1.08 -3.13 115.31 122.05 1wif h LEU 93 Ca -0.01 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1wif h LEU 93 Cb 1.49 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 1wif h LEU 93 CO 0.10 -0.09 0.46 -0.07 -0.34 0.00 0.00 178.44 178.50 1wif h LEU 94 N -0.47 0.00 0.00 2.25 3.38 -1.58 0.50 115.31 119.39 1wif h LEU 94 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wif h LEU 94 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wif h LEU 94 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1wif n GLN 95 N -2.97 0.38 -0.14 1.13 6.02 -1.18 -1.47 117.38 119.15 1wif n GLN 95 Ca 0.00 0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.11 1wif n GLN 95 Cb 0.52 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.08 2.78 -4.87 1.08 3.02 0.17 -4.99 115.26 111.37 1wif n ASN 96 Ca 0.10 -1.84 -0.32 0.00 -0.03 0.00 0.00 54.58 52.49 1wif n ASN 96 Cb 0.07 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.06 4.92 0.20 2.41 -1.09 -0.54 -5.09 121.20 120.95 1wif s ILE 97 Ca 0.24 0.47 0.04 0.00 -2.23 0.00 0.00 60.65 59.17 1wif s ILE 97 Cb 0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1wif s ILE 97 CO 0.19 -0.10 0.33 -0.89 -1.23 0.00 0.00 174.94 173.23 1wif s THR 98 N -1.86 5.29 0.71 2.92 2.01 -1.26 -5.03 115.64 118.42 1wif s THR 98 Ca 0.48 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 1wif s THR 98 Cb -0.11 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1wif s THR 98 CO 0.22 -0.23 1.21 -0.63 -0.69 0.00 0.00 174.62 174.50 1wif s ILE 99 N -1.88 2.34 -1.22 1.82 1.01 -1.26 -3.60 121.20 118.40 1wif s ILE 99 Ca 0.34 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 61.09 1wif s ILE 99 Cb -0.10 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1wif s ILE 99 CO 0.29 -0.08 0.75 0.61 0.00 0.00 0.00 174.94 176.50 1wif n GLY 100 N 0.41 -0.63 3.23 6.18 0.00 0.78 -4.95 105.19 110.22 1wif n GLY 100 Ca 0.14 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.58 1.89 -0.32 2.61 2.01 -1.24 -4.89 115.64 112.13 1wif s THR 101 Ca 0.21 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1wif s THR 101 Cb -0.06 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1wif s THR 101 CO 0.82 0.53 0.56 0.54 -0.69 0.00 0.00 174.62 176.37 1wif s VAL 102 N -0.14 5.00 0.11 3.82 0.11 -1.26 -3.15 120.40 124.88 1wif s VAL 102 Ca -0.03 0.64 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 1wif s VAL 102 Cb -0.13 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1wif s VAL 102 CO 0.03 -0.13 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.72 1wif s LEU 103 N 2.46 2.31 -0.57 2.54 2.01 -1.26 -5.02 118.68 121.16 1wif s LEU 103 Ca 0.22 -0.70 -0.19 0.00 0.01 0.00 0.00 54.13 53.47 1wif s LEU 103 Cb -0.15 -0.83 0.09 0.00 0.01 0.00 0.00 46.19 45.32 1wif s LEU 103 CO 0.12 0.03 0.67 -1.58 1.01 0.00 0.00 176.35 176.59 1wif s GLN 104 N -2.01 3.06 -0.72 1.70 0.74 -1.26 -3.71 119.66 117.46 1wif s GLN 104 Ca 0.06 -1.24 -0.20 0.00 0.05 0.00 0.00 55.36 54.03 1wif s GLN 104 Cb -0.09 -4.23 0.11 0.00 1.10 0.00 0.00 33.01 29.90 1wif s GLN 104 CO 0.04 -1.45 0.91 0.42 -0.55 0.00 0.00 175.29 174.67 1wif s ILE 105 N 2.60 4.67 -0.37 -2.34 -1.09 -1.08 -4.02 121.20 119.56 1wif s ILE 105 Ca 0.12 -1.03 -0.19 0.00 -2.23 0.00 0.00 60.65 57.32 1wif s ILE 105 Cb -0.23 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 1wif s ILE 105 CO 0.07 -1.34 0.53 -0.75 -1.23 0.00 0.00 174.94 172.23 1wif s LYS 106 N 3.01 3.50 0.06 2.79 2.20 -1.25 -3.09 119.74 126.96 1wif s LYS 106 Ca 0.21 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1wif s LYS 106 Cb -0.16 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 1wif s LYS 106 CO 0.02 -0.74 -0.12 0.00 -0.36 0.00 0.00 175.35 174.16 1wif s ALA 107 N 2.46 0.93 0.36 3.13 0.00 0.89 0.45 121.76 129.98 1wif s ALA 107 Ca 0.19 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 1wif s ALA 107 Cb -0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 1wif s ALA 107 CO 0.14 0.09 0.80 0.71 0.00 0.00 0.00 175.76 177.50 1wif s TYR 108 N -1.33 3.37 -0.47 0.00 2.02 -1.03 -1.06 117.35 118.84 1wif s TYR 108 Ca -0.05 1.29 0.03 0.00 -0.37 0.00 0.00 57.07 57.97 1wif s TYR 108 Cb -0.10 -2.60 0.44 0.00 -0.40 0.00 0.00 41.96 39.30 1wif s TYR 108 CO 0.01 0.00 1.47 -2.13 -1.57 0.00 0.00 175.55 173.33 1wif n ARG 109 N -0.60 3.27 0.00 -0.62 0.63 -1.26 -2.96 116.66 115.11 1wif n ARG 109 Ca 0.04 -3.96 0.00 0.00 -0.92 0.00 0.00 57.85 53.01 1wif n ARG 109 Cb 0.53 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 0.10 0.11 5.14 0.00 -1.26 -5.04 105.19 103.55 1wif n GLY 110 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.12 -3.99 1.61 -0.00 -1.26 -4.51 117.46 109.18 1wif n PHE 111 Ca 0.00 0.34 -0.28 0.00 -0.00 0.00 0.00 57.45 57.51 1wif n PHE 111 Cb 0.00 -0.52 -0.04 0.00 -0.00 0.00 0.00 39.48 38.92 1wif n PHE 111 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1wif s LEU 112 N -7.21 4.11 0.03 -2.13 1.43 -1.26 -5.12 118.68 108.53 1wif s LEU 112 Ca -0.03 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1wif s LEU 112 Cb 0.03 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1wif s LEU 112 CO 0.17 0.10 0.06 -1.61 0.23 0.00 0.00 176.35 175.30 1wif s GLU 113 N -2.93 2.92 0.19 1.70 2.02 -1.26 -4.94 118.70 116.41 1wif s GLU 113 Ca 0.33 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 1wif s GLU 113 Cb -0.11 -2.76 -0.08 0.00 0.10 0.00 0.00 34.13 31.28 1wif s GLU 113 CO 0.26 0.61 1.05 0.42 0.02 0.00 0.00 175.26 177.62 1wif s ILE 114 N -1.24 3.95 -0.11 -1.63 1.01 -1.26 -4.99 121.20 116.94 1wif s ILE 114 Ca 0.24 1.75 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 1wif s ILE 114 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1wif s ILE 114 CO 0.16 0.33 1.53 -2.16 0.00 0.00 0.00 174.94 174.80 1wif s PRO 115 N -0.60 4.15 0.13 2.79 0.04 -1.26 -4.92 135.00 135.32 1wif s PRO 115 Ca 0.47 1.96 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1wif s PRO 115 Cb -0.28 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1wif s PRO 115 CO 0.34 -0.86 1.66 1.96 0.04 0.00 0.00 177.00 180.14 1wif h GLN 116 N 9.30 -0.25 -0.99 4.56 7.50 -1.94 -2.20 115.11 131.09 1wif h GLN 116 Ca -0.35 0.02 0.25 0.00 0.50 0.00 0.00 58.65 59.07 1wif h GLN 116 Cb 1.15 0.06 -0.18 0.00 0.05 0.00 0.00 27.48 28.56 1wif h GLN 116 CO 0.97 -0.17 -0.07 0.39 -1.50 0.00 0.00 178.83 178.45 1wif n GLU 117 N -5.33 -0.08 0.08 1.46 -0.58 -1.26 -1.11 120.64 113.82 1wif n GLU 117 Ca -0.04 1.50 -0.07 0.00 -0.42 0.00 0.00 57.16 58.13 1wif n GLU 117 Cb 0.24 -2.33 -0.04 0.00 -0.57 0.00 0.00 31.44 28.74 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1wif h TRP 118 N 0.00 -0.63 -1.37 -0.32 4.06 -1.80 -3.40 115.95 112.49 1wif h TRP 118 Ca 0.56 0.01 -0.71 0.00 2.06 0.00 0.00 58.89 60.80 1wif h TRP 118 Cb 1.06 0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.48 1wif h TRP 118 CO -0.59 -0.27 1.09 1.04 -3.56 0.00 0.00 178.44 176.15 1wif n GLN 119 N -3.69 1.15 0.14 0.49 1.13 -0.27 -4.87 117.38 111.45 1wif n GLN 119 Ca -0.04 0.39 -0.09 0.00 -1.94 0.00 0.00 57.00 55.32 1wif n GLN 119 Cb 0.19 -2.21 -0.05 0.00 0.11 0.00 0.00 30.24 28.28 1wif n GLN 119 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1wif h ASP 120 N 8.88 -0.72 -1.01 1.08 5.19 -1.82 -3.41 116.42 124.61 1wif h ASP 120 Ca -0.39 0.06 -0.76 0.00 -0.62 0.00 0.00 57.03 55.32 1wif h ASP 120 Cb 1.32 0.24 -0.00 0.00 0.18 0.00 0.00 39.33 41.07 1wif h ASP 120 CO 0.99 -0.33 1.05 -1.20 -3.12 0.00 0.00 179.24 176.63 1wif n SER 121 N -3.93 1.75 0.00 6.45 7.64 -1.26 -4.79 113.62 119.49 1wif n SER 121 Ca -0.06 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1wif n SER 121 Cb 0.23 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 5.35 -0.58 3.70 0.23 0.00 -1.26 -5.08 105.19 107.54 1wif n GLY 122 Ca 0.37 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1wif n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wif s PRO 123 N -2.00 0.81 -0.14 1.61 0.04 -1.26 -5.01 135.00 129.05 1wif s PRO 123 Ca 0.00 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.73 1wif s PRO 123 Cb 0.00 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1wif s PRO 123 CO 0.00 -2.51 0.85 0.45 0.04 0.00 0.00 177.00 175.84 1wif n SER 124 N -4.04 -0.58 -0.10 6.66 2.88 -1.26 -5.02 113.62 112.16 1wif n SER 124 Ca 0.06 -1.43 -0.20 0.00 -1.33 0.00 0.00 58.87 55.97 1wif n SER 124 Cb 0.56 0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 64.30 1wif n SER 124 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wif n SER 125 N -0.45 1.62 -0.39 -3.46 3.41 -1.26 -5.34 113.62 107.75 1wif n SER 125 Ca -0.09 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1wif n SER 125 Cb 0.62 -0.55 0.61 0.00 -0.26 0.00 0.00 64.21 64.63 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49