#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 -0.33 0.16 1.61 0.15 -1.26 -5.19 113.70 108.84 1wif s SER 2 Ca 0.00 0.42 -0.14 0.00 0.70 0.00 0.00 55.95 56.92 1wif s SER 2 Cb 0.00 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1wif s SER 2 CO 0.00 -0.27 0.40 -0.94 1.20 0.00 0.00 173.24 173.63 1wif s SER 3 N -0.86 -0.14 0.00 5.45 1.04 -1.26 -5.18 113.70 112.74 1wif s SER 3 Ca 0.01 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1wif s SER 3 Cb -0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wif s SER 3 CO -0.01 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1wif n GLY 4 N -0.25 6.95 3.56 7.32 0.00 -1.26 -5.17 105.19 116.34 1wif n GLY 4 Ca -0.11 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 1wif n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wif s SER 5 N 0.57 -0.24 -0.29 1.61 0.15 -1.26 -5.18 113.70 109.06 1wif s SER 5 Ca 0.00 0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.45 1wif s SER 5 Cb 0.00 0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.70 1wif s SER 5 CO 0.00 -0.38 1.12 -0.55 1.20 0.00 0.00 173.24 174.63 1wif s SER 6 N -2.17 -0.36 0.97 5.45 0.15 -1.26 -5.16 113.70 111.31 1wif s SER 6 Ca 0.07 0.67 -0.17 0.00 0.70 0.00 0.00 55.95 57.22 1wif s SER 6 Cb -0.01 0.79 -0.14 0.00 -1.71 0.00 0.00 66.02 64.95 1wif s SER 6 CO -0.06 -0.11 -0.68 0.61 1.20 0.00 0.00 173.24 174.20 1wif n GLY 7 N 2.41 -4.40 2.88 9.45 0.00 -1.26 -3.79 105.19 110.48 1wif n GLY 7 Ca -0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 3.10 -4.43 -1.70 1.61 2.88 -1.26 -5.01 113.62 108.80 1wif n SER 8 Ca -0.01 -0.53 -0.06 0.00 -1.33 0.00 0.00 58.87 56.94 1wif n SER 8 Cb 0.55 -4.17 -0.02 0.00 -0.75 0.00 0.00 64.21 59.82 1wif n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wif n LYS 9 N -3.06 0.16 -1.21 -1.46 5.02 -1.25 -5.06 118.16 111.31 1wif n LYS 9 Ca -0.11 -1.04 -0.37 0.00 -2.02 0.00 0.00 58.31 54.77 1wif n LYS 9 Cb 0.61 0.88 0.04 0.00 -0.02 0.00 0.00 35.03 36.54 1wif n LYS 9 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wif n ASN 10 N -2.42 -3.08 -1.61 4.39 4.13 -1.26 -4.62 115.26 110.79 1wif n ASN 10 Ca 0.02 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.81 1wif n ASN 10 Cb 0.19 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 1wif n ASN 10 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wif n GLU 11 N 0.75 -4.59 -2.41 3.52 1.02 -1.26 -4.66 120.64 113.00 1wif n GLU 11 Ca 0.07 3.40 -0.38 0.00 -0.02 0.00 0.00 57.16 60.23 1wif n GLU 11 Cb 0.50 -3.81 -0.03 0.00 -0.02 0.00 0.00 31.44 28.07 1wif n GLU 11 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wif s LYS 12 N -3.52 3.19 -0.19 3.49 -2.85 -1.26 -4.89 119.74 113.70 1wif s LYS 12 Ca 0.00 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.16 1wif s LYS 12 Cb 0.00 -4.83 0.15 0.00 -2.06 0.00 0.00 37.83 31.09 1wif s LYS 12 CO 0.00 -2.44 1.13 -2.00 0.10 0.00 0.00 175.35 172.14 1wif s GLU 13 N 5.79 0.40 0.00 1.78 2.56 -1.26 -4.94 118.70 123.02 1wif s GLU 13 Ca 0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.97 55.50 1wif s GLU 13 Cb -0.05 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.27 1wif s GLU 13 CO 0.03 -0.14 0.00 0.94 -0.56 0.00 0.00 175.26 175.53 1wif n GLN 14 N 0.50 -0.94 -2.25 4.30 7.27 -1.26 -4.53 117.38 120.47 1wif n GLN 14 Ca -0.06 0.24 -0.27 0.00 0.07 0.00 0.00 57.00 56.98 1wif n GLN 14 Cb 0.58 -4.08 0.16 0.00 2.41 0.00 0.00 30.24 29.32 1wif n GLN 14 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1wif s LEU 15 N 0.00 2.84 0.20 1.69 2.34 -1.26 -4.24 118.68 120.24 1wif s LEU 15 Ca 0.00 -0.11 0.11 0.00 0.06 0.00 0.00 54.13 54.19 1wif s LEU 15 Cb 0.00 -2.00 -0.04 0.00 -0.56 0.00 0.00 46.19 43.59 1wif s LEU 15 CO 0.00 -2.44 -0.22 -0.94 -1.06 0.00 0.00 176.35 171.69 1wif s SER 16 N -4.87 3.28 0.62 1.48 1.04 -1.26 -5.00 113.70 108.98 1wif s SER 16 Ca 0.72 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 1wif s SER 16 Cb -0.03 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1wif s SER 16 CO 0.50 0.07 0.94 -0.54 0.98 0.00 0.00 173.24 175.19 1wif s LYS 17 N -2.81 2.85 -0.68 4.02 3.01 -1.26 -5.03 119.74 119.84 1wif s LYS 17 Ca 0.21 0.05 0.04 0.00 -1.01 0.00 0.00 55.97 55.26 1wif s LYS 17 Cb -0.07 -2.22 0.32 0.00 -1.01 0.00 0.00 37.83 34.85 1wif s LYS 17 CO 0.10 -0.80 1.08 0.00 0.51 0.00 0.00 175.35 176.24 1wif n ALA 18 N -2.68 4.83 -2.24 5.17 0.00 -1.26 -5.03 120.51 119.30 1wif n ALA 18 Ca 0.05 -4.71 -0.14 0.00 0.00 0.00 0.00 53.44 48.64 1wif n ALA 18 Cb 0.58 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.42 1.31 0.06 0.00 -0.14 -1.26 -5.17 119.74 111.12 1wif s LYS 19 Ca 0.45 -1.70 0.08 0.00 -1.36 0.00 0.00 55.97 53.44 1wif s LYS 19 Cb 0.23 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.51 1wif s LYS 19 CO -0.11 -0.40 -0.22 0.00 -0.76 0.00 0.00 175.35 173.87 1wif s ALA 20 N -3.99 1.85 -0.36 5.17 0.00 -1.26 -5.04 121.76 118.13 1wif s ALA 20 Ca 0.39 -1.13 0.12 0.00 0.00 0.00 0.00 51.96 51.33 1wif s ALA 20 Cb 0.07 -0.35 0.41 0.00 0.00 0.00 0.00 23.12 23.25 1wif s ALA 20 CO 0.14 0.41 1.40 0.45 0.00 0.00 0.00 175.76 178.16 1wif n SER 21 N 1.68 -1.34 -4.81 0.00 2.88 -1.26 -5.14 113.62 105.64 1wif n SER 21 Ca -0.18 -2.36 -0.33 0.00 -1.33 0.00 0.00 58.87 54.67 1wif n SER 21 Cb 0.53 0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 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 -0.25 3.94 -0.33 2.46 0.11 -1.26 -4.99 120.40 120.07 1wif s VAL 22 Ca 0.17 1.14 0.15 0.00 -2.93 0.00 0.00 61.98 60.51 1wif s VAL 22 Cb 0.42 -3.48 0.43 0.00 -1.53 0.00 0.00 36.38 32.22 1wif s VAL 22 CO -0.10 -0.33 1.34 -0.24 -3.33 0.00 0.00 175.10 172.45 1wif n SER 23 N -1.15 -0.59 -3.21 3.54 2.88 -1.26 -5.06 113.62 108.77 1wif n SER 23 Ca 0.09 -2.29 -0.16 0.00 -1.33 0.00 0.00 58.87 55.18 1wif n SER 23 Cb 0.53 0.38 0.02 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.97 -5.81 -4.10 -3.46 2.88 -1.26 -4.97 113.62 95.92 1wif n SER 24 Ca -0.06 0.15 -0.26 0.00 -1.33 0.00 0.00 58.87 57.37 1wif n SER 24 Cb 0.85 -1.51 -0.16 0.00 -0.75 0.00 0.00 64.21 62.64 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 -1.54 1.84 -0.25 2.46 1.43 -1.26 -5.11 118.68 116.24 1wif s LEU 25 Ca 0.16 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1wif s LEU 25 Cb -0.02 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 45.30 1wif s LEU 25 CO 0.36 0.11 -0.03 0.54 0.23 0.00 0.00 176.35 177.56 1wif s ASN 26 N 0.31 3.89 0.05 2.29 2.20 -1.26 -4.99 114.94 117.44 1wif s ASN 26 Ca -0.10 -1.28 0.08 0.00 -0.94 0.00 0.00 52.86 50.61 1wif s ASN 26 Cb -0.14 -1.15 -0.03 0.00 -2.00 0.00 0.00 41.25 37.93 1wif s ASN 26 CO 0.04 -0.27 -0.21 -0.75 -2.94 0.00 0.00 177.10 172.97 1wif s LYS 27 N 1.40 1.36 -0.19 3.55 2.36 -1.26 -5.13 119.74 121.83 1wif s LYS 27 Ca -0.03 -0.99 -0.08 0.00 -2.55 0.00 0.00 55.97 52.32 1wif s LYS 27 Cb -0.19 -1.51 -0.04 0.00 -1.05 0.00 0.00 37.83 35.04 1wif s LYS 27 CO -0.08 0.38 0.08 0.08 1.55 0.00 0.00 175.35 177.36 1wif s VAL 28 N -0.87 4.95 -0.08 4.02 1.01 -1.26 -3.82 120.40 124.35 1wif s VAL 28 Ca 0.08 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1wif s VAL 28 Cb -0.09 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wif s VAL 28 CO 0.02 0.46 0.53 -0.63 0.00 0.00 0.00 175.10 175.48 1wif s ILE 29 N 0.36 5.11 -0.16 2.22 -1.09 0.12 -4.96 121.20 122.79 1wif s ILE 29 Ca 0.04 1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 59.49 1wif s ILE 29 Cb -0.12 -3.87 0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1wif s ILE 29 CO -0.00 0.34 0.34 0.00 -1.23 0.00 0.00 174.94 174.39 1wif s GLN 30 N 0.43 0.23 0.04 2.79 -2.07 -1.26 0.20 119.66 120.02 1wif s GLN 30 Ca 0.29 0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 54.65 1wif s GLN 30 Cb -0.16 0.14 -0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1wif s GLN 30 CO 0.13 -0.27 0.12 -0.08 -1.32 0.00 0.00 175.29 173.88 1wif s THR 31 N 2.50 0.13 -0.28 3.63 -1.32 -1.11 -4.99 115.64 114.21 1wif s THR 31 Ca -0.00 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.32 1wif s THR 31 Cb -0.12 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1wif s THR 31 CO -0.11 -0.58 0.19 -0.54 -2.21 0.00 0.00 174.62 171.38 1wif s LYS 32 N -2.63 3.96 0.10 7.08 3.01 -1.26 -2.59 119.74 127.41 1wif s LYS 32 Ca -0.05 -0.31 -0.00 0.00 -1.01 0.00 0.00 55.97 54.60 1wif s LYS 32 Cb -0.01 -3.66 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 1wif s LYS 32 CO -0.05 -0.17 0.26 -0.51 0.51 0.00 0.00 175.35 175.39 1wif s LEU 33 N 1.75 4.33 -0.66 3.17 1.43 -1.24 -4.96 118.68 122.49 1wif s LEU 33 Ca 0.07 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1wif s LEU 33 Cb -0.16 -3.01 0.17 0.00 0.03 0.00 0.00 46.19 43.22 1wif s LEU 33 CO 0.11 0.11 0.59 -0.89 0.23 0.00 0.00 176.35 176.50 1wif s THR 34 N -1.61 5.10 0.19 5.49 2.01 -1.26 -4.00 115.64 121.56 1wif s THR 34 Ca 0.36 -2.11 -0.29 0.00 0.31 0.00 0.00 61.69 59.97 1wif s THR 34 Cb -0.12 -4.23 -0.17 0.00 0.01 0.00 0.00 72.50 67.99 1wif s THR 34 CO 0.28 -0.93 0.58 0.52 -0.69 0.00 0.00 174.62 174.38 1wif n VAL 35 N 4.47 1.88 -4.07 3.82 0.31 -1.21 -4.57 118.33 118.96 1wif n VAL 35 Ca 0.01 -0.47 -0.28 0.00 -0.01 0.00 0.00 64.34 63.60 1wif n VAL 35 Cb 0.43 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.28 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 -0.91 2.51 0.23 2.92 0.00 -1.26 -2.43 107.32 108.37 1wif s GLY 36 Ca 0.65 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.09 1wif s GLY 36 CO 0.56 -1.99 1.56 3.43 0.00 0.00 0.00 173.10 176.66 1wif h ASN 37 N 0.91 -1.34 0.47 1.64 2.35 -1.93 1.25 115.58 118.93 1wif h ASN 37 Ca -0.39 0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1wif h ASN 37 Cb 1.30 0.71 0.00 0.00 0.05 0.00 0.00 38.32 40.39 1wif h ASN 37 CO 0.61 -0.29 -0.21 0.18 -1.65 0.00 0.00 177.43 176.07 1wif n LEU 38 N -5.48 0.50 -1.38 1.61 4.32 -1.26 -4.88 117.00 110.43 1wif n LEU 38 Ca 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1wif n LEU 38 Cb 0.40 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1wif n LEU 38 CO -0.11 0.10 -0.40 0.61 -1.22 0.00 0.00 177.39 176.37 1wif n GLY 39 N 1.37 -4.37 3.50 -0.72 0.00 0.43 -4.57 105.19 100.84 1wif n GLY 39 Ca 0.11 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.07 1.08 -2.00 0.99 -0.00 -1.26 -4.76 117.00 109.97 1wif n LEU 40 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1wif n LEU 40 Cb 0.04 -1.15 0.24 0.00 -0.00 0.00 0.00 43.42 42.56 1wif n LEU 40 CO 0.00 -0.99 1.11 0.61 -0.00 0.00 0.00 177.39 178.12 1wif n GLY 41 N 6.39 4.13 0.95 1.47 0.00 -1.26 -4.95 105.19 111.93 1wif n GLY 41 Ca 0.55 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.67 -0.21 -4.45 0.99 -0.00 -1.26 -4.65 117.00 106.76 1wif n LEU 42 Ca 0.48 0.32 -0.44 0.00 -0.00 0.00 0.00 56.01 56.37 1wif n LEU 42 Cb 1.47 -0.26 -0.02 0.00 -0.00 0.00 0.00 43.42 44.61 1wif n LEU 42 CO 0.48 -0.70 1.02 -0.69 -0.00 0.00 0.00 177.39 177.50 1wif s VAL 43 N -0.16 4.73 0.66 1.47 1.01 0.40 -4.86 120.40 123.64 1wif s VAL 43 Ca 0.21 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1wif s VAL 43 Cb -0.30 -4.80 0.06 0.00 0.00 0.00 0.00 36.38 31.35 1wif s VAL 43 CO 0.16 -1.53 0.94 -0.69 0.00 0.00 0.00 175.10 173.98 1wif s VAL 44 N 2.68 2.38 0.04 2.92 1.01 -1.26 -0.75 120.40 127.42 1wif s VAL 44 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1wif s VAL 44 Cb -0.05 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1wif s VAL 44 CO -0.09 0.00 -0.07 0.27 0.00 0.00 0.00 175.10 175.22 1wif s ILE 45 N -3.10 0.44 -1.02 2.22 -4.36 -1.14 -4.74 121.20 109.49 1wif s ILE 45 Ca 0.60 -1.09 -0.23 0.00 -0.26 0.00 0.00 60.65 59.67 1wif s ILE 45 Cb -0.10 -0.59 0.03 0.00 1.25 0.00 0.00 42.46 43.05 1wif s ILE 45 CO 0.43 -0.44 1.58 -1.58 0.24 0.00 0.00 174.94 175.17 1wif s GLN 46 N -1.68 3.40 -0.55 0.37 -0.44 -1.26 -3.28 119.66 116.21 1wif s GLN 46 Ca -0.10 -1.03 0.04 0.00 -2.50 0.00 0.00 55.36 51.76 1wif s GLN 46 Cb -0.09 -5.32 0.14 0.00 -1.64 0.00 0.00 33.01 26.10 1wif s GLN 46 CO -0.00 -2.47 0.30 1.21 0.50 0.00 0.00 175.29 174.83 1wif s ASN 47 N 5.53 4.45 0.00 6.67 2.47 -1.24 -5.04 114.94 127.77 1wif s ASN 47 Ca 0.52 -3.10 0.00 0.00 0.42 0.00 0.00 52.86 50.69 1wif s ASN 47 Cb -0.01 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1wif s ASN 47 CO -0.06 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1wif n GLY 48 N 3.00 -1.90 0.00 1.21 0.00 -1.26 -4.01 105.19 102.23 1wif n GLY 48 Ca 0.07 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 0.49 -4.34 1.61 -0.04 -1.26 -4.72 135.00 126.73 1wif n PRO 49 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1wif n PRO 49 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1wif n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wif s TYR 50 N -2.00 1.65 -0.35 0.54 2.02 -1.26 -4.27 117.35 113.68 1wif s TYR 50 Ca 0.23 -0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 56.07 1wif s TYR 50 Cb 0.11 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1wif s TYR 50 CO 0.18 0.21 0.36 -0.51 -1.57 0.00 0.00 175.55 174.22 1wif s LEU 51 N -3.31 4.49 -0.38 -1.29 1.43 -1.26 -3.69 118.68 114.66 1wif s LEU 51 Ca 0.24 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1wif s LEU 51 Cb 0.02 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1wif s LEU 51 CO 0.07 -0.36 0.27 -1.10 0.23 0.00 0.00 176.35 175.46 1wif s GLN 52 N 2.01 3.11 -0.21 1.70 -0.21 -1.21 -3.62 119.66 121.24 1wif s GLN 52 Ca 0.11 -0.91 -0.35 0.00 0.02 0.00 0.00 55.36 54.24 1wif s GLN 52 Cb -0.17 -3.90 -0.11 0.00 1.00 0.00 0.00 33.01 29.83 1wif s GLN 52 CO 0.12 -0.65 2.01 -0.89 -2.12 0.00 0.00 175.29 173.75 1wif n ILE 53 N 5.13 0.39 -0.03 1.08 5.41 -1.10 -2.87 119.36 127.37 1wif n ILE 53 Ca -0.12 -0.19 -0.09 0.00 1.00 0.00 0.00 62.75 63.36 1wif n ILE 53 Cb 0.48 -1.80 -0.14 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 8.13 0.77 -3.57 4.38 2.88 -0.94 -0.60 113.62 124.67 1wif n SER 54 Ca 0.30 0.36 -0.15 0.00 -1.33 0.00 0.00 58.87 58.05 1wif n SER 54 Cb 0.27 0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.58 -0.65 -0.16 0.66 5.65 0.07 -4.87 115.29 113.41 1wif s HIS 55 Ca -0.05 1.33 -0.06 0.00 0.25 0.00 0.00 55.06 56.53 1wif s HIS 55 Cb 0.08 0.37 -0.04 0.00 -1.18 0.00 0.00 32.58 31.80 1wif s HIS 55 CO 0.83 -0.48 0.05 -0.51 -0.65 0.00 0.00 174.74 173.98 1wif s LEU 56 N -0.57 3.80 -0.48 8.88 1.43 -1.26 0.15 118.68 130.64 1wif s LEU 56 Ca -0.05 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.90 1wif s LEU 56 Cb -0.02 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1wif s LEU 56 CO 0.05 0.24 1.93 -0.63 0.23 0.00 0.00 176.35 178.17 1wif s ILE 57 N -0.02 3.34 0.23 -0.59 1.09 -1.26 -4.70 121.20 119.29 1wif s ILE 57 Ca 0.06 0.27 -0.16 0.00 -1.10 0.00 0.00 60.65 59.71 1wif s ILE 57 Cb -0.12 -3.67 0.25 0.00 -1.06 0.00 0.00 42.46 37.86 1wif s ILE 57 CO 0.01 -0.57 1.57 -1.13 -0.10 0.00 0.00 174.94 174.72 1wif h ASN 58 N 14.87 -1.24 0.00 3.58 -1.24 -1.96 0.30 115.58 129.89 1wif h ASN 58 Ca -0.29 0.28 -0.09 0.00 0.71 0.00 0.00 56.30 56.91 1wif h ASN 58 Cb 1.18 0.67 -0.03 0.00 0.73 0.00 0.00 38.32 40.87 1wif h ASN 58 CO 1.13 -0.30 -0.16 0.29 -1.29 0.00 0.00 177.43 177.10 1wif n LYS 59 N -5.49 1.39 0.00 6.67 4.76 -1.26 -4.50 118.16 119.73 1wif n LYS 59 Ca 0.10 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 1wif n LYS 59 Cb 0.40 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 2.08 5.47 0.13 0.72 0.00 0.11 -4.74 105.19 108.95 1wif n GLY 60 Ca 0.21 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1wif n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wif n ALA 61 N -3.00 1.21 -0.02 4.61 0.00 -1.26 -4.11 120.51 117.94 1wif n ALA 61 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 1wif n ALA 61 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1wif n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wif h ALA 62 N -0.33 0.13 0.00 0.00 0.00 -1.93 -1.95 119.26 115.18 1wif h ALA 62 Ca -0.57 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1wif h ALA 62 Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1wif h ALA 62 CO -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.79 1wif h ALA 63 N 0.88 1.00 -0.14 0.00 0.00 -1.80 0.18 119.26 119.39 1wif h ALA 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wif h ALA 63 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wif h ALA 63 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1wif n SER 64 N -2.35 2.93 -4.29 0.00 7.64 -0.79 -4.85 113.62 111.91 1wif n SER 64 Ca -0.01 -1.90 -0.39 0.00 1.01 0.00 0.00 58.87 57.58 1wif n SER 64 Cb 0.06 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1wif n SER 64 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wif s ASP 65 N -1.62 5.51 0.00 6.43 1.11 0.64 -4.94 116.67 123.80 1wif s ASP 65 Ca 0.28 -1.25 0.05 0.00 0.18 0.00 0.00 52.55 51.81 1wif s ASP 65 Cb 0.18 -1.94 0.25 0.00 1.07 0.00 0.00 42.92 42.49 1wif s ASP 65 CO 0.27 -0.41 1.11 0.61 1.18 0.00 0.00 175.17 177.93 1wif n GLY 66 N 4.88 -0.60 0.07 0.21 0.00 -1.26 -2.67 105.19 105.81 1wif n GLY 66 Ca -0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 1.01 -3.28 -0.61 5.03 -1.92 -3.44 117.51 114.31 1wif h ILE 67 Ca 0.00 -1.70 -0.58 0.00 -0.12 0.00 0.00 64.86 62.46 1wif h ILE 67 Cb 0.08 1.89 -0.07 0.00 -3.03 0.00 0.00 36.82 35.69 1wif h ILE 67 CO 0.00 0.34 0.45 -0.76 -0.68 0.00 0.00 178.15 177.50 1wif s LEU 68 N -8.44 4.15 0.25 1.44 1.43 -1.09 -5.05 118.68 111.38 1wif s LEU 68 Ca -0.11 1.19 0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1wif s LEU 68 Cb -0.01 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 1wif s LEU 68 CO 0.41 -0.45 -0.01 -1.10 0.23 0.00 0.00 176.35 175.43 1wif s GLN 69 N 2.37 2.30 -1.19 1.70 -0.21 -1.26 -4.80 119.66 118.57 1wif s GLN 69 Ca 0.39 -1.36 -0.23 0.00 0.02 0.00 0.00 55.36 54.18 1wif s GLN 69 Cb -0.16 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.57 1wif s GLN 69 CO 0.11 0.38 1.93 -0.35 -2.12 0.00 0.00 175.29 175.25 1wif n PRO 70 N -0.72 1.60 0.00 2.91 -0.04 -1.26 -3.46 135.00 134.02 1wif n PRO 70 Ca -0.07 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1wif n PRO 70 Cb 0.58 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 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 5.77 0.00 3.84 0.55 0.00 0.24 -4.67 105.19 110.91 1wif n GLY 71 Ca 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1wif n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wif s ASP 72 N 0.00 4.53 -0.39 1.61 1.11 -1.23 -4.85 116.67 117.45 1wif s ASP 72 Ca 0.00 -1.24 0.03 0.00 0.18 0.00 0.00 52.55 51.52 1wif s ASP 72 Cb 0.00 0.14 0.11 0.00 1.07 0.00 0.00 42.92 44.24 1wif s ASP 72 CO 0.00 -0.89 0.13 -0.69 1.18 0.00 0.00 175.17 174.90 1wif s VAL 73 N -2.72 2.02 0.33 -1.27 1.01 -1.21 -2.72 120.40 115.85 1wif s VAL 73 Ca 0.32 -2.46 -0.29 0.00 0.00 0.00 0.00 61.98 59.55 1wif s VAL 73 Cb -0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 1wif s VAL 73 CO 0.19 -0.70 1.42 0.18 0.00 0.00 0.00 175.10 176.19 1wif n LEU 74 N 3.97 4.05 -0.91 3.92 4.77 -1.24 -2.66 117.00 128.91 1wif n LEU 74 Ca 0.04 1.20 0.03 0.00 -0.03 0.00 0.00 56.01 57.24 1wif n LEU 74 Cb 0.39 -1.54 0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1wif n LEU 74 CO 0.24 -0.16 0.20 -0.38 -1.33 0.00 0.00 177.39 175.95 1wif n ILE 75 N 0.83 0.30 0.00 -0.08 -0.00 0.22 -4.24 119.36 116.40 1wif n ILE 75 Ca 0.05 -0.84 0.00 0.00 -0.00 0.00 0.00 62.75 61.96 1wif n ILE 75 Cb 0.37 0.61 0.00 0.00 -0.00 0.00 0.00 39.64 40.61 1wif n ILE 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1wif n SER 76 N 0.03 0.00 -4.53 4.38 3.41 -1.25 -4.43 113.62 111.22 1wif n SER 76 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 1wif n SER 76 Cb 0.89 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.75 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 5.18 -0.50 -3.33 1.01 -1.14 -3.54 120.40 118.07 1wif s VAL 77 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1wif s VAL 77 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wif s VAL 77 CO 0.00 -0.12 0.44 0.61 0.00 0.00 0.00 175.10 176.03 1wif n GLY 78 N 4.99 0.38 2.60 4.51 0.00 -1.25 -2.88 105.19 113.54 1wif n GLY 78 Ca -0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.35 0.00 -4.02 1.61 -0.00 -1.26 -4.94 115.22 103.27 1wif n HIS 79 Ca -0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.86 1wif n HIS 79 Cb 0.53 -3.39 -0.15 0.00 -0.12 0.00 0.00 29.99 26.86 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 -2.72 2.77 -0.94 1.57 0.00 -1.14 -5.04 121.76 116.27 1wif s ALA 80 Ca 0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 51.96 49.48 1wif s ALA 80 Cb 0.00 -1.87 -0.28 0.00 0.00 0.00 0.00 23.12 20.97 1wif s ALA 80 CO 0.00 -1.58 2.26 -1.71 0.00 0.00 0.00 175.76 174.73 1wif n ASN 81 N 4.31 -0.46 -1.13 0.00 2.85 -1.26 -2.87 115.26 116.70 1wif n ASN 81 Ca -0.00 -0.74 0.04 0.00 -0.11 0.00 0.00 54.58 53.77 1wif n ASN 81 Cb 0.42 -0.86 0.21 0.00 1.24 0.00 0.00 39.78 40.78 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 6.51 1.27 -0.21 3.44 0.24 -1.26 -4.41 118.33 123.91 1wif n VAL 82 Ca 0.62 -0.70 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1wif n VAL 82 Cb 0.22 -0.24 0.12 0.00 -1.47 0.00 0.00 33.84 32.46 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 2.16 -0.04 -3.23 1.34 6.46 -1.80 -1.45 115.31 118.76 1wif h LEU 83 Ca 0.00 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1wif h LEU 83 Cb 1.13 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1wif h LEU 83 CO 0.21 -0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.62 1wif n GLY 84 N -1.33 3.44 3.72 3.75 0.00 -1.26 -4.32 105.19 109.19 1wif n GLY 84 Ca 0.10 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.35 3.50 0.82 1.61 1.51 -0.55 -4.98 117.35 116.91 1wif s TYR 85 Ca 0.43 1.41 -0.07 0.00 -1.01 0.00 0.00 57.07 57.83 1wif s TYR 85 Cb 0.32 -3.35 0.16 0.00 -0.11 0.00 0.00 41.96 38.97 1wif s TYR 85 CO 0.14 -0.97 1.13 0.95 -1.11 0.00 0.00 175.55 175.68 1wif s THR 86 N 0.84 2.08 0.20 -0.71 -4.23 -1.26 -4.38 115.64 108.18 1wif s THR 86 Ca 0.56 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1wif s THR 86 Cb -0.28 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 70.96 1wif s THR 86 CO 0.30 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.48 1wif h LEU 87 N -0.98 0.71 0.00 4.79 5.85 -1.96 0.58 115.31 124.31 1wif h LEU 87 Ca -0.40 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1wif h LEU 87 Cb 1.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1wif h LEU 87 CO 0.40 0.50 -0.00 0.03 -0.34 0.00 0.00 178.44 179.02 1wif h ARG 88 N 0.85 -0.00 0.00 1.25 3.08 -1.99 -0.64 114.38 116.92 1wif h ARG 88 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 1wif h ARG 88 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1wif h ARG 88 CO -0.10 0.52 -0.11 0.93 -1.07 0.00 0.00 179.97 180.14 1wif h GLU 89 N -0.53 0.00 0.00 0.04 4.39 -1.89 -2.18 114.58 114.40 1wif h GLU 89 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wif h GLU 89 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1wif h GLU 89 CO 0.00 0.11 -0.01 0.35 -1.16 0.00 0.00 179.01 178.30 1wif h PHE 90 N 0.00 0.00 -1.16 4.33 3.57 0.25 -3.06 116.94 120.87 1wif h PHE 90 Ca -0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.83 1wif h PHE 90 Cb 0.32 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.96 1wif h PHE 90 CO 0.00 0.00 0.76 -0.07 -2.23 0.00 0.00 178.31 176.77 1wif h LEU 91 N -0.42 0.32 -0.88 0.59 -0.00 -1.15 1.01 115.31 114.77 1wif h LEU 91 Ca 0.00 0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.86 1wif h LEU 91 Cb 0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1wif h LEU 91 CO 0.00 -0.01 -0.43 0.07 -0.00 0.00 0.00 178.44 178.06 1wif h LYS 92 N 0.24 0.27 0.27 1.13 5.09 -1.53 -2.14 116.57 119.90 1wif h LYS 92 Ca 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 60.65 61.26 1wif h LYS 92 Cb 1.98 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.31 1wif h LYS 92 CO -0.30 0.66 -0.13 1.25 -2.09 0.00 0.00 179.45 178.83 1wif h LEU 93 N 0.22 -0.31 -1.76 7.07 5.85 0.12 -3.15 115.31 123.35 1wif h LEU 93 Ca 0.02 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.92 1wif h LEU 93 Cb 0.86 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1wif h LEU 93 CO 0.07 -0.18 0.50 -0.07 -0.34 0.00 0.00 178.44 178.43 1wif h LEU 94 N -0.46 0.22 0.00 2.25 -0.00 -1.56 0.38 115.31 116.13 1wif h LEU 94 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1wif h LEU 94 Cb 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1wif h LEU 94 CO 0.06 0.10 0.00 0.00 -0.00 0.00 0.00 178.44 178.61 1wif n GLN 95 N -4.42 0.02 -0.08 1.13 1.13 -0.80 -0.18 117.38 114.17 1wif n GLN 95 Ca 0.14 0.38 0.09 0.00 -1.94 0.00 0.00 57.00 55.67 1wif n GLN 95 Cb 0.65 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.62 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wif n ASN 96 N -1.42 2.74 -4.81 1.08 3.02 0.13 -4.98 115.26 111.04 1wif n ASN 96 Ca 0.01 -1.81 -0.37 0.00 -0.03 0.00 0.00 54.58 52.39 1wif n ASN 96 Cb 0.03 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.31 4.51 0.26 2.41 -1.09 0.75 -5.07 121.20 121.65 1wif s ILE 97 Ca 0.25 1.39 -0.00 0.00 -2.23 0.00 0.00 60.65 60.06 1wif s ILE 97 Cb 0.16 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1wif s ILE 97 CO 0.23 0.26 0.46 -0.89 -1.23 0.00 0.00 174.94 173.77 1wif s THR 98 N -1.46 5.16 0.56 2.92 2.01 -1.26 -4.99 115.64 118.58 1wif s THR 98 Ca 0.42 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1wif s THR 98 Cb -0.18 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1wif s THR 98 CO 0.22 -0.33 1.29 -0.63 -0.69 0.00 0.00 174.62 174.49 1wif s ILE 99 N -2.04 2.30 -0.91 1.82 1.01 -1.26 -3.50 121.20 118.61 1wif s ILE 99 Ca 0.39 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 1wif s ILE 99 Cb -0.10 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1wif s ILE 99 CO 0.31 -0.02 0.76 0.61 0.00 0.00 0.00 174.94 176.61 1wif n GLY 100 N 0.69 -0.15 3.24 6.18 0.00 -1.02 -5.00 105.19 109.13 1wif n GLY 100 Ca 0.12 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.26 1.90 -0.25 2.61 2.01 -1.23 -4.94 115.64 112.49 1wif s THR 101 Ca 0.08 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1wif s THR 101 Cb -0.04 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1wif s THR 101 CO 0.54 0.53 0.45 0.54 -0.69 0.00 0.00 174.62 175.99 1wif s VAL 102 N -0.13 5.13 0.11 3.82 0.11 -1.26 -3.35 120.40 124.84 1wif s VAL 102 Ca -0.03 0.76 0.06 0.00 -2.93 0.00 0.00 61.98 59.84 1wif s VAL 102 Cb -0.13 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1wif s VAL 102 CO 0.03 0.15 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.04 1wif s LEU 103 N 1.98 2.37 -0.46 2.54 2.01 -1.26 -5.03 118.68 120.83 1wif s LEU 103 Ca 0.19 -0.76 -0.13 0.00 0.01 0.00 0.00 54.13 53.44 1wif s LEU 103 Cb -0.15 -0.61 0.08 0.00 0.01 0.00 0.00 46.19 45.52 1wif s LEU 103 CO 0.09 -0.10 0.36 -1.58 1.01 0.00 0.00 176.35 176.14 1wif s GLN 104 N -2.40 2.84 -0.47 1.70 0.74 -1.26 -3.64 119.66 117.17 1wif s GLN 104 Ca 0.07 -1.44 -0.18 0.00 0.05 0.00 0.00 55.36 53.85 1wif s GLN 104 Cb -0.07 -4.04 0.05 0.00 1.10 0.00 0.00 33.01 30.06 1wif s GLN 104 CO 0.03 -1.05 0.55 0.42 -0.55 0.00 0.00 175.29 174.69 1wif s ILE 105 N 1.56 4.97 -0.39 -2.34 -1.09 -1.07 -3.81 121.20 119.04 1wif s ILE 105 Ca 0.04 -0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.85 1wif s ILE 105 Cb -0.25 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1wif s ILE 105 CO 0.05 -0.66 0.24 -0.75 -1.23 0.00 0.00 174.94 172.58 1wif s LYS 106 N 2.39 2.90 0.11 2.79 2.20 -1.23 -2.74 119.74 126.14 1wif s LYS 106 Ca 0.13 -1.05 0.06 0.00 -0.36 0.00 0.00 55.97 54.76 1wif s LYS 106 Cb -0.19 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1wif s LYS 106 CO 0.12 -0.71 -0.15 0.00 -0.36 0.00 0.00 175.35 174.26 1wif s ALA 107 N 1.60 1.43 0.26 3.13 0.00 0.13 0.72 121.76 129.03 1wif s ALA 107 Ca 0.03 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1wif s ALA 107 Cb -0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 1wif s ALA 107 CO 0.08 0.14 0.64 0.71 0.00 0.00 0.00 175.76 177.32 1wif s TYR 108 N -1.84 3.44 -0.25 0.00 2.02 -1.09 0.11 117.35 119.75 1wif s TYR 108 Ca 0.06 1.07 0.09 0.00 -0.37 0.00 0.00 57.07 57.92 1wif s TYR 108 Cb -0.07 -2.41 0.44 0.00 -0.40 0.00 0.00 41.96 39.53 1wif s TYR 108 CO 0.03 0.22 1.22 -2.13 -1.57 0.00 0.00 175.55 173.32 1wif n ARG 109 N -0.06 2.57 0.00 -0.62 0.63 -1.25 -3.32 116.66 114.61 1wif n ARG 109 Ca 0.01 -3.72 0.00 0.00 -0.92 0.00 0.00 57.85 53.22 1wif n ARG 109 Cb 0.53 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.49 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 -0.92 0.00 0.56 5.14 0.00 -1.26 -4.96 105.19 103.75 1wif n GLY 110 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 1wif n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wif n PHE 111 N 0.00 0.00 -3.38 1.61 -0.00 -1.26 -4.99 117.46 109.43 1wif n PHE 111 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1wif n PHE 111 Cb 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 39.48 39.35 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 -5.39 4.08 1.03 -2.13 2.96 -1.26 -5.07 118.68 112.89 1wif s LEU 112 Ca -0.02 0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 54.01 1wif s LEU 112 Cb 0.00 -2.43 0.21 0.00 0.50 0.00 0.00 46.19 44.47 1wif s LEU 112 CO 0.03 -0.21 1.09 -1.83 -1.32 0.00 0.00 176.35 174.11 1wif s GLU 113 N 2.08 0.19 -0.15 1.98 -1.05 -1.26 -4.89 118.70 115.61 1wif s GLU 113 Ca 0.15 0.51 -0.06 0.00 -0.15 0.00 0.00 54.97 55.42 1wif s GLU 113 Cb -0.16 -1.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.78 1wif s GLU 113 CO 0.10 -2.89 0.05 0.42 0.95 0.00 0.00 175.26 173.89 1wif s ILE 114 N -2.92 4.69 -0.42 1.83 1.01 -1.26 -5.05 121.20 119.07 1wif s ILE 114 Ca 0.66 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 1wif s ILE 114 Cb -0.19 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1wif s ILE 114 CO 0.58 0.52 1.74 -2.16 0.00 0.00 0.00 174.94 175.63 1wif s PRO 115 N -0.16 3.18 0.28 2.79 0.04 -1.26 -4.88 135.00 135.00 1wif s PRO 115 Ca 0.07 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 1wif s PRO 115 Cb -0.12 -4.22 0.61 0.00 0.04 0.00 0.00 34.50 30.81 1wif s PRO 115 CO 0.01 -2.05 1.45 1.04 0.04 0.00 0.00 177.00 177.50 1wif n GLN 116 N 8.58 -0.08 -0.32 4.56 1.13 -1.26 0.96 117.38 130.94 1wif n GLN 116 Ca 0.21 1.41 0.21 0.00 -1.94 0.00 0.00 57.00 56.89 1wif n GLN 116 Cb 0.48 -2.20 0.40 0.00 0.11 0.00 0.00 30.24 29.04 1wif n GLN 116 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1wif h GLU 117 N 0.00 0.08 0.00 -1.09 5.08 -2.06 -2.76 114.58 113.84 1wif h GLU 117 Ca 0.52 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1wif h GLU 117 Cb 0.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1wif h GLU 117 CO -0.90 0.05 0.00 0.91 -1.00 0.00 0.00 179.01 178.07 1wif n TRP 118 N -5.31 0.00 -2.05 4.33 7.02 0.27 -4.99 117.44 116.71 1wif n TRP 118 Ca 0.28 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.78 1wif n TRP 118 Cb 0.93 -0.29 -0.00 0.00 -2.42 0.00 0.00 31.31 29.53 1wif n TRP 118 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1wif n GLN 119 N -1.36 -0.24 -0.13 -0.99 0.00 -1.04 -4.00 117.38 109.62 1wif n GLN 119 Ca 0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 57.00 57.04 1wif n GLN 119 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 30.24 29.93 1wif n GLN 119 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1wif h ASP 120 N -0.11 0.86 -4.69 1.69 3.58 -1.94 -3.49 116.42 112.31 1wif h ASP 120 Ca 0.00 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1wif h ASP 120 Cb 0.11 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1wif h ASP 120 CO 0.00 1.07 -0.92 -1.20 -2.88 0.00 0.00 179.24 175.31 1wif n SER 121 N -4.24 -8.15 0.00 2.28 7.64 -1.26 -5.08 113.62 104.82 1wif n SER 121 Ca -0.01 1.77 0.00 0.00 1.01 0.00 0.00 58.87 61.63 1wif n SER 121 Cb 0.42 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 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 1.87 5.54 0.00 0.23 0.00 -1.26 -5.00 105.19 106.57 1wif n GLY 122 Ca -0.02 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.39 0.00 1.61 -0.04 -1.26 -4.96 135.00 130.74 1wif n PRO 123 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 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 0.45 -0.04 0.00 0.00 175.50 175.91 1wif n SER 124 N -1.10 -1.09 -3.59 3.54 2.88 -1.26 -5.12 113.62 107.88 1wif n SER 124 Ca 0.10 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 1wif n SER 124 Cb 0.08 1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.50 1wif n SER 124 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wif s SER 125 N -1.91 -0.23 0.00 -3.46 1.04 -1.26 -5.27 113.70 102.61 1wif s SER 125 Ca 0.00 0.15 0.13 0.00 0.48 0.00 0.00 55.95 56.71 1wif s SER 125 Cb 0.00 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.44 1wif s SER 125 CO 0.00 -0.29 0.92 0.61 0.98 0.00 0.00 173.24 175.46