#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 0.11 0.31 1.61 1.04 -1.26 -5.19 113.70 110.32 1wif s SER 2 Ca 0.00 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 1wif s SER 2 Cb 0.00 0.78 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 1wif s SER 2 CO 0.00 -1.53 0.40 -0.55 0.98 0.00 0.00 173.24 172.54 1wif s SER 3 N -3.07 0.85 0.00 7.02 0.15 -1.26 -5.18 113.70 112.21 1wif s SER 3 Ca 0.18 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1wif s SER 3 Cb -0.04 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wif s SER 3 CO 0.12 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1wif n GLY 4 N -0.52 2.39 3.09 9.45 0.00 -1.26 -5.19 105.19 113.15 1wif n GLY 4 Ca 0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1wif n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wif s SER 5 N 2.00 0.41 0.25 1.61 0.01 -1.26 -4.82 113.70 111.90 1wif s SER 5 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1wif s SER 5 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wif s SER 5 CO 0.00 -0.57 0.00 -1.20 0.41 0.00 0.00 173.24 171.88 1wif n SER 6 N 0.31 -1.47 -4.72 2.44 7.64 -1.26 -4.95 113.62 111.61 1wif n SER 6 Ca -0.16 0.46 -0.34 0.00 1.01 0.00 0.00 58.87 59.85 1wif n SER 6 Cb 0.60 1.53 0.10 0.00 -1.01 0.00 0.00 64.21 65.43 1wif n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wif s GLY 7 N -3.51 2.29 -0.29 0.23 0.00 -1.26 -2.49 107.32 102.29 1wif s GLY 7 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1wif s GLY 7 CO 0.00 1.25 0.00 -1.26 0.00 0.00 0.00 173.10 173.09 1wif n SER 8 N -2.83 -1.75 -2.58 1.64 2.88 -1.26 -1.23 113.62 108.48 1wif n SER 8 Ca 0.13 0.40 -0.12 0.00 -1.33 0.00 0.00 58.87 57.96 1wif n SER 8 Cb 0.50 -1.61 -0.02 0.00 -0.75 0.00 0.00 64.21 62.33 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 -2.53 -1.80 -3.63 -1.46 3.00 -1.04 -4.73 118.16 105.97 1wif n LYS 9 Ca -0.04 0.04 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1wif n LYS 9 Cb 0.51 -3.25 -0.04 0.00 0.00 0.00 0.00 35.03 32.25 1wif n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1wif s ASN 10 N -1.87 -0.07 0.23 3.14 3.84 -0.36 -5.00 114.94 114.85 1wif s ASN 10 Ca 0.23 0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.36 1wif s ASN 10 Cb -0.13 0.06 0.00 0.00 -0.55 0.00 0.00 41.25 40.63 1wif s ASN 10 CO 0.28 -0.07 0.00 -0.62 -2.79 0.00 0.00 177.10 173.90 1wif n GLU 11 N 0.45 -0.70 -0.81 0.43 1.02 -1.26 -4.61 120.64 115.17 1wif n GLU 11 Ca -0.00 0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 1wif n GLU 11 Cb 0.58 -0.85 0.11 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.50 -0.82 -1.62 3.49 5.02 -1.26 -4.27 118.16 117.19 1wif n LYS 12 Ca 0.00 -0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 55.92 1wif n LYS 12 Cb 0.16 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 1wif n LYS 12 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1wif s GLU 13 N -2.95 1.42 0.00 1.97 -1.05 -1.26 -4.50 118.70 112.33 1wif s GLU 13 Ca 0.49 -0.08 0.19 0.00 -0.15 0.00 0.00 54.97 55.42 1wif s GLU 13 Cb -0.08 -4.91 0.45 0.00 -0.44 0.00 0.00 34.13 29.15 1wif s GLU 13 CO 0.68 -4.98 1.38 0.94 0.95 0.00 0.00 175.26 174.22 1wif n GLN 14 N 8.46 2.55 -1.05 -4.83 7.27 -1.26 -4.87 117.38 123.66 1wif n GLN 14 Ca 0.44 -2.29 -0.36 0.00 0.07 0.00 0.00 57.00 54.85 1wif n GLN 14 Cb 0.45 -1.45 0.05 0.00 2.41 0.00 0.00 30.24 31.71 1wif n GLN 14 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1wif n LEU 15 N 1.23 -3.66 -4.93 1.69 -0.00 -1.26 -4.61 117.00 105.47 1wif n LEU 15 Ca 0.18 0.35 -0.19 0.00 -0.00 0.00 0.00 56.01 56.35 1wif n LEU 15 Cb 0.54 -0.92 -0.02 0.00 -0.00 0.00 0.00 43.42 43.03 1wif n LEU 15 CO 0.13 -5.00 0.04 -0.44 -0.00 0.00 0.00 177.39 172.12 1wif s SER 16 N -1.24 5.38 0.46 1.45 0.01 -1.26 -4.87 113.70 113.63 1wif s SER 16 Ca 0.50 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 1wif s SER 16 Cb -0.27 -0.74 -0.06 0.00 0.21 0.00 0.00 66.02 65.16 1wif s SER 16 CO 0.74 -0.61 0.82 -0.54 0.41 0.00 0.00 173.24 174.06 1wif s LYS 17 N -4.18 3.71 -0.52 12.44 1.02 -1.26 -5.06 119.74 125.90 1wif s LYS 17 Ca 0.49 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.97 1wif s LYS 17 Cb -0.06 -2.34 0.16 0.00 -0.52 0.00 0.00 37.83 35.07 1wif s LYS 17 CO 0.30 -0.16 0.37 0.00 -0.92 0.00 0.00 175.35 174.94 1wif s ALA 18 N -2.58 2.38 0.26 5.17 0.00 -1.26 -5.09 121.76 120.65 1wif s ALA 18 Ca 0.51 -2.95 -0.09 0.00 0.00 0.00 0.00 51.96 49.43 1wif s ALA 18 Cb -0.10 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1wif s ALA 18 CO 0.37 -2.04 0.43 0.15 0.00 0.00 0.00 175.76 174.68 1wif s LYS 19 N -0.38 1.57 -0.18 0.00 -0.14 -1.26 -5.16 119.74 114.20 1wif s LYS 19 Ca 0.26 -1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 53.39 1wif s LYS 19 Cb -0.06 0.44 -0.04 0.00 -1.68 0.00 0.00 37.83 36.49 1wif s LYS 19 CO -0.14 -0.64 0.09 0.00 -0.76 0.00 0.00 175.35 173.90 1wif s ALA 20 N -3.84 3.55 -0.70 5.17 0.00 -1.26 -5.00 121.76 119.68 1wif s ALA 20 Ca 0.26 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1wif s ALA 20 Cb 0.00 -2.01 0.41 0.00 0.00 0.00 0.00 23.12 21.52 1wif s ALA 20 CO 0.11 0.22 1.92 0.45 0.00 0.00 0.00 175.76 178.46 1wif n SER 21 N 3.36 7.27 -4.80 0.00 2.88 -1.26 -4.98 113.62 116.09 1wif n SER 21 Ca -0.17 -3.80 -0.30 0.00 -1.33 0.00 0.00 58.87 53.27 1wif n SER 21 Cb 0.52 -0.94 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 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 -4.96 4.68 0.00 2.46 0.11 -1.26 -5.04 120.40 116.40 1wif s VAL 22 Ca 0.58 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1wif s VAL 22 Cb 0.47 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.04 1wif s VAL 22 CO -0.18 0.10 0.00 -1.20 -3.33 0.00 0.00 175.10 170.49 1wif n SER 23 N 0.32 0.00 -2.40 3.54 7.64 -1.26 -5.04 113.62 116.41 1wif n SER 23 Ca -0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.45 1wif n SER 23 Cb 0.52 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.79 1wif n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wif n SER 24 N 0.00 7.56 -4.76 6.43 7.64 -1.26 -4.99 113.62 124.25 1wif n SER 24 Ca 0.00 -3.80 -0.40 0.00 1.01 0.00 0.00 58.87 55.69 1wif n SER 24 Cb 0.00 -0.96 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wif s LEU 25 N -3.85 4.56 -0.24 -3.43 1.43 -1.26 -5.05 118.68 110.83 1wif s LEU 25 Ca 0.62 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 1wif s LEU 25 Cb 0.50 -3.33 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1wif s LEU 25 CO -0.07 0.14 -0.04 0.54 0.23 0.00 0.00 176.35 177.15 1wif s ASN 26 N -0.79 3.82 -0.10 2.29 2.20 -1.26 -4.89 114.94 116.20 1wif s ASN 26 Ca 0.38 -1.19 0.02 0.00 -0.94 0.00 0.00 52.86 51.14 1wif s ASN 26 Cb -0.23 -1.14 -0.01 0.00 -2.00 0.00 0.00 41.25 37.87 1wif s ASN 26 CO 0.26 -0.25 -0.18 -0.75 -2.94 0.00 0.00 177.10 173.25 1wif s LYS 27 N 1.42 3.04 -0.02 3.55 2.20 -1.26 -5.08 119.74 123.59 1wif s LYS 27 Ca -0.05 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1wif s LYS 27 Cb -0.19 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 1wif s LYS 27 CO -0.07 0.30 -0.04 0.08 -0.36 0.00 0.00 175.35 175.26 1wif s VAL 28 N 0.09 3.86 -0.04 4.02 1.01 -1.26 -2.15 120.40 125.94 1wif s VAL 28 Ca -0.08 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1wif s VAL 28 Cb -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1wif s VAL 28 CO 0.05 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 174.83 1wif s ILE 29 N -0.99 3.16 -0.25 2.22 -1.09 0.10 -4.96 121.20 119.41 1wif s ILE 29 Ca 0.17 -0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 57.78 1wif s ILE 29 Cb -0.11 -2.26 0.11 0.00 -1.58 0.00 0.00 42.46 38.62 1wif s ILE 29 CO 0.07 0.56 0.53 0.00 -1.23 0.00 0.00 174.94 174.87 1wif s GLN 30 N -0.83 0.45 0.03 2.79 -2.07 -1.26 -0.19 119.66 118.58 1wif s GLN 30 Ca 0.12 1.24 -0.06 0.00 -1.82 0.00 0.00 55.36 54.84 1wif s GLN 30 Cb -0.11 0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1wif s GLN 30 CO 0.01 -0.23 0.12 -0.08 -1.32 0.00 0.00 175.29 173.80 1wif s THR 31 N 2.75 0.12 -0.32 3.63 -1.32 -1.19 -4.96 115.64 114.34 1wif s THR 31 Ca -0.04 -0.95 -0.14 0.00 -1.21 0.00 0.00 61.69 59.35 1wif s THR 31 Cb -0.12 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1wif s THR 31 CO -0.16 -0.52 0.29 -0.54 -2.21 0.00 0.00 174.62 171.48 1wif s LYS 32 N -2.25 3.65 0.08 7.08 3.01 -1.26 -2.13 119.74 127.93 1wif s LYS 32 Ca -0.08 -0.44 -0.05 0.00 -1.01 0.00 0.00 55.97 54.40 1wif s LYS 32 Cb -0.03 -3.77 -0.05 0.00 -1.01 0.00 0.00 37.83 32.97 1wif s LYS 32 CO -0.03 -0.41 0.32 -0.51 0.51 0.00 0.00 175.35 175.23 1wif s LEU 33 N 1.87 4.32 -0.78 3.17 1.43 -1.22 -4.94 118.68 122.52 1wif s LEU 33 Ca 0.09 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.56 1wif s LEU 33 Cb -0.17 -3.04 0.15 0.00 0.03 0.00 0.00 46.19 43.16 1wif s LEU 33 CO 0.11 0.14 0.87 -0.89 0.23 0.00 0.00 176.35 176.81 1wif s THR 34 N -1.51 5.03 -0.12 5.49 2.01 -1.26 -4.06 115.64 121.23 1wif s THR 34 Ca 0.35 -1.66 -0.40 0.00 0.31 0.00 0.00 61.69 60.29 1wif s THR 34 Cb -0.13 -4.59 -0.18 0.00 0.01 0.00 0.00 72.50 67.61 1wif s THR 34 CO 0.22 -1.23 1.36 0.52 -0.69 0.00 0.00 174.62 174.80 1wif n VAL 35 N 5.04 0.05 -2.75 3.82 0.31 -1.25 -4.45 118.33 119.10 1wif n VAL 35 Ca 0.10 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.20 1wif n VAL 35 Cb 0.46 -0.53 0.08 0.00 -0.91 0.00 0.00 33.84 32.95 1wif n VAL 35 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wif s GLY 36 N 1.29 1.77 0.21 2.92 0.00 -1.26 -1.20 107.32 111.05 1wif s GLY 36 Ca 0.93 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.70 1wif s GLY 36 CO 0.60 -1.33 1.62 3.43 0.00 0.00 0.00 173.10 177.43 1wif h ASN 37 N -0.21 -0.60 0.67 1.64 2.35 -1.92 0.53 115.58 118.04 1wif h ASN 37 Ca -0.35 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1wif h ASN 37 Cb 1.28 0.40 0.00 0.00 0.05 0.00 0.00 38.32 40.05 1wif h ASN 37 CO 0.41 -0.21 -0.19 0.18 -1.65 0.00 0.00 177.43 175.97 1wif n LEU 38 N -5.44 0.28 -0.94 1.61 4.32 -1.26 -4.90 117.00 110.67 1wif n LEU 38 Ca 0.08 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1wif n LEU 38 Cb 0.34 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1wif n LEU 38 CO 0.04 0.06 -0.28 0.61 -1.22 0.00 0.00 177.39 176.60 1wif n GLY 39 N 1.44 -3.68 3.49 -0.72 0.00 0.19 -4.62 105.19 101.29 1wif n GLY 39 Ca 0.08 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.79 1.00 -1.46 0.99 -0.00 -1.26 -4.75 117.00 109.73 1wif n LEU 40 Ca 0.00 0.07 0.06 0.00 -0.00 0.00 0.00 56.01 56.14 1wif n LEU 40 Cb 0.20 -1.12 0.29 0.00 -0.00 0.00 0.00 43.42 42.79 1wif n LEU 40 CO 0.00 -0.94 0.71 0.61 -0.00 0.00 0.00 177.39 177.77 1wif n GLY 41 N 6.46 2.45 0.97 1.47 0.00 -1.26 -4.94 105.19 110.34 1wif n GLY 41 Ca 0.56 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1wif n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 42 N 0.55 -0.02 -4.52 0.99 -0.00 -1.26 -4.61 117.00 108.13 1wif n LEU 42 Ca 0.20 0.32 -0.43 0.00 -0.00 0.00 0.00 56.01 56.10 1wif n LEU 42 Cb 0.88 -0.26 -0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1wif n LEU 42 CO 0.22 -0.54 1.68 -0.69 -0.00 0.00 0.00 177.39 178.06 1wif s VAL 43 N -0.01 4.55 0.86 1.47 1.01 0.46 -4.88 120.40 123.86 1wif s VAL 43 Ca 0.25 -2.23 -0.13 0.00 0.00 0.00 0.00 61.98 59.87 1wif s VAL 43 Cb -0.35 -5.06 0.13 0.00 0.00 0.00 0.00 36.38 31.11 1wif s VAL 43 CO 0.16 -1.83 1.22 -0.69 0.00 0.00 0.00 175.10 173.96 1wif s VAL 44 N 2.98 2.03 0.05 2.92 1.01 -1.26 -1.31 120.40 126.81 1wif s VAL 44 Ca 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 1wif s VAL 44 Cb 0.01 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1wif s VAL 44 CO 0.04 0.00 -0.04 0.27 0.00 0.00 0.00 175.10 175.37 1wif s ILE 45 N -3.67 0.28 -1.00 2.22 -4.36 -1.20 -4.76 121.20 108.71 1wif s ILE 45 Ca 0.67 -1.54 -0.20 0.00 -0.26 0.00 0.00 60.65 59.32 1wif s ILE 45 Cb -0.08 -1.15 0.10 0.00 1.25 0.00 0.00 42.46 42.58 1wif s ILE 45 CO 0.50 -0.81 1.31 -1.58 0.24 0.00 0.00 174.94 174.60 1wif s GLN 46 N -3.10 3.65 -0.57 0.37 -0.44 -1.26 -3.74 119.66 114.57 1wif s GLN 46 Ca 0.00 -1.56 0.04 0.00 -2.50 0.00 0.00 55.36 51.34 1wif s GLN 46 Cb 0.02 -5.14 0.14 0.00 -1.64 0.00 0.00 33.01 26.39 1wif s GLN 46 CO -0.06 -1.98 0.32 1.21 0.50 0.00 0.00 175.29 175.28 1wif s ASN 47 N 4.17 4.49 0.00 6.67 2.47 -1.25 -5.04 114.94 126.45 1wif s ASN 47 Ca 0.40 -3.16 0.00 0.00 0.42 0.00 0.00 52.86 50.51 1wif s ASN 47 Cb -0.02 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 1wif s ASN 47 CO -0.08 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 1wif n GLY 48 N 2.92 -2.03 0.00 1.21 0.00 -1.26 -3.94 105.19 102.08 1wif n GLY 48 Ca 0.08 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.69 1wif n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 49 N 0.00 0.49 -4.38 1.61 -0.04 -1.26 -4.68 135.00 126.74 1wif n PRO 49 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wif n PRO 49 Cb 0.00 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.48 -0.53 0.54 2.02 -1.25 -2.23 117.35 115.38 1wif s TYR 50 Ca 0.16 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 1wif s TYR 50 Cb 0.07 -0.86 0.06 0.00 -0.40 0.00 0.00 41.96 40.83 1wif s TYR 50 CO 0.12 0.09 0.74 -0.51 -1.57 0.00 0.00 175.55 174.42 1wif s LEU 51 N -1.40 4.69 -0.31 -1.29 2.01 -1.26 -3.87 118.68 117.25 1wif s LEU 51 Ca 0.03 -0.77 -0.18 0.00 0.01 0.00 0.00 54.13 53.23 1wif s LEU 51 Cb -0.09 -2.56 -0.02 0.00 0.01 0.00 0.00 46.19 43.54 1wif s LEU 51 CO 0.02 -1.03 0.51 -1.10 1.01 0.00 0.00 176.35 175.76 1wif s GLN 52 N 3.10 3.83 -0.00 1.70 -0.21 -1.25 -3.89 119.66 122.94 1wif s GLN 52 Ca 0.20 0.05 -0.33 0.00 0.02 0.00 0.00 55.36 55.29 1wif s GLN 52 Cb -0.17 -3.74 -0.12 0.00 1.00 0.00 0.00 33.01 29.99 1wif s GLN 52 CO 0.14 -0.50 1.83 -0.89 -2.12 0.00 0.00 175.29 173.75 1wif n ILE 53 N 5.31 0.47 -0.08 1.08 5.41 -1.08 -3.22 119.36 127.24 1wif n ILE 53 Ca -0.05 -0.09 -0.19 0.00 1.00 0.00 0.00 62.75 63.43 1wif n ILE 53 Cb 0.49 -1.89 -0.13 0.00 -0.71 0.00 0.00 39.64 37.40 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 6.04 1.95 -3.67 4.38 2.88 -1.14 0.18 113.62 124.25 1wif n SER 54 Ca 0.21 -0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.58 1wif n SER 54 Cb 0.32 -0.51 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.53 -0.39 -0.15 0.66 5.65 -0.43 -4.78 115.29 113.32 1wif s HIS 55 Ca -0.30 0.71 -0.05 0.00 0.25 0.00 0.00 55.06 55.68 1wif s HIS 55 Cb 0.08 0.21 -0.03 0.00 -1.18 0.00 0.00 32.58 31.66 1wif s HIS 55 CO 0.67 -0.44 0.01 -0.51 -0.65 0.00 0.00 174.74 173.81 1wif s LEU 56 N -1.03 3.52 -0.27 8.88 1.43 -1.26 0.17 118.68 130.12 1wif s LEU 56 Ca -0.11 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 1wif s LEU 56 Cb -0.03 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1wif s LEU 56 CO 0.06 0.22 1.70 -0.63 0.23 0.00 0.00 176.35 177.92 1wif s ILE 57 N 0.09 3.59 0.23 -0.59 1.09 -1.26 -4.71 121.20 119.63 1wif s ILE 57 Ca 0.02 0.63 -0.10 0.00 -1.10 0.00 0.00 60.65 60.10 1wif s ILE 57 Cb -0.13 -3.68 0.25 0.00 -1.06 0.00 0.00 42.46 37.84 1wif s ILE 57 CO 0.02 -0.36 1.64 -1.13 -0.10 0.00 0.00 174.94 175.00 1wif h ASN 58 N 11.72 -0.41 -0.12 3.58 -1.24 -1.97 0.33 115.58 127.48 1wif h ASN 58 Ca -0.34 0.18 -0.15 0.00 0.71 0.00 0.00 56.30 56.71 1wif h ASN 58 Cb 1.16 0.34 -0.06 0.00 0.73 0.00 0.00 38.32 40.50 1wif h ASN 58 CO 1.02 -0.17 -0.12 0.29 -1.29 0.00 0.00 177.43 177.15 1wif n LYS 59 N -5.36 1.63 -0.04 6.67 5.02 -1.26 -4.40 118.16 120.42 1wif n LYS 59 Ca 0.11 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1wif n LYS 59 Cb 0.40 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wif n GLY 60 N 1.83 5.38 0.13 0.72 0.00 0.11 -4.81 105.19 108.55 1wif n GLY 60 Ca 0.26 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 1.07 0.16 4.61 0.00 -1.26 -3.85 120.51 118.24 1wif n ALA 61 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 1wif n ALA 61 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.81 -0.54 -0.60 0.00 0.00 -1.91 -1.68 119.26 113.72 1wif h ALA 62 Ca -0.59 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.32 1wif h ALA 62 Cb 1.53 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1wif h ALA 62 CO -0.35 -0.84 0.40 0.00 0.00 0.00 0.00 179.25 178.47 1wif h ALA 63 N 0.10 1.88 -0.03 0.00 0.00 -1.81 0.25 119.26 119.66 1wif h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wif h ALA 63 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wif h ALA 63 CO -0.09 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1wif n SER 64 N -4.48 0.26 -4.33 0.00 7.64 -0.79 -4.70 113.62 107.23 1wif n SER 64 Ca 0.09 -1.55 -0.35 0.00 1.01 0.00 0.00 58.87 58.07 1wif n SER 64 Cb 0.28 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.49 4.47 -0.03 6.43 2.15 0.88 -4.98 116.67 124.11 1wif s ASP 65 Ca 0.25 -0.40 0.01 0.00 0.43 0.00 0.00 52.55 52.83 1wif s ASP 65 Cb 0.12 -1.77 0.07 0.00 -0.30 0.00 0.00 42.92 41.03 1wif s ASP 65 CO 0.19 -0.04 0.92 0.61 -0.17 0.00 0.00 175.17 176.68 1wif n GLY 66 N 4.82 2.02 0.04 2.66 0.00 -1.26 -3.51 105.19 109.96 1wif n GLY 66 Ca -0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 0.25 0.46 -3.48 -0.61 -0.00 -1.26 -5.00 119.36 109.71 1wif n ILE 67 Ca 0.04 -0.18 -0.37 0.00 -0.00 0.00 0.00 62.75 62.25 1wif n ILE 67 Cb 0.51 -0.78 -0.06 0.00 -0.00 0.00 0.00 39.64 39.30 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1wif s LEU 68 N -5.46 4.32 0.15 1.39 1.43 -1.23 -5.00 118.68 114.28 1wif s LEU 68 Ca -0.11 0.70 0.10 0.00 -1.03 0.00 0.00 54.13 53.80 1wif s LEU 68 Cb 0.03 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1wif s LEU 68 CO 0.19 0.15 -0.21 -1.10 0.23 0.00 0.00 176.35 175.60 1wif s GLN 69 N 0.04 1.63 -1.17 1.70 -0.21 -1.26 -4.89 119.66 115.50 1wif s GLN 69 Ca 0.21 -1.33 -0.23 0.00 0.02 0.00 0.00 55.36 54.03 1wif s GLN 69 Cb -0.14 -1.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 1wif s GLN 69 CO 0.08 0.45 1.93 -1.25 -2.12 0.00 0.00 175.29 174.38 1wif s PRO 70 N -2.31 2.50 0.00 2.91 0.04 -1.26 -3.51 135.00 133.36 1wif s PRO 70 Ca 0.18 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1wif s PRO 70 Cb -0.10 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wif s PRO 70 CO 0.09 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.59 1wif n GLY 71 N 5.86 0.00 3.51 0.56 0.00 0.13 -4.58 105.19 110.66 1wif n GLY 71 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 1wif n GLY 71 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wif s ASP 72 N 0.00 3.67 -0.45 1.61 1.47 -1.23 -4.77 116.67 116.97 1wif s ASP 72 Ca 0.00 -1.10 -0.08 0.00 1.18 0.00 0.00 52.55 52.56 1wif s ASP 72 Cb 0.00 -0.33 0.11 0.00 -0.34 0.00 0.00 42.92 42.36 1wif s ASP 72 CO 0.00 -0.07 0.29 -0.69 0.68 0.00 0.00 175.17 175.39 1wif s VAL 73 N -2.55 3.97 0.81 2.11 1.01 -1.22 -2.65 120.40 121.88 1wif s VAL 73 Ca 0.31 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 1wif s VAL 73 Cb -0.02 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1wif s VAL 73 CO 0.16 -0.71 0.72 0.18 0.00 0.00 0.00 175.10 175.46 1wif n LEU 74 N 4.83 1.77 -0.19 3.92 7.99 -1.25 -2.05 117.00 132.01 1wif n LEU 74 Ca -0.07 0.52 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 1wif n LEU 74 Cb 0.41 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 1wif n LEU 74 CO 0.40 -2.77 0.26 -0.38 -1.51 0.00 0.00 177.39 173.39 1wif n ILE 75 N -3.00 0.04 0.00 -0.08 -0.00 0.43 -4.62 119.36 112.13 1wif n ILE 75 Ca 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.81 1wif n ILE 75 Cb 0.51 0.78 0.00 0.00 -0.00 0.00 0.00 39.64 40.93 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 -4.55 4.38 3.41 -1.26 -4.30 113.62 111.28 1wif n SER 76 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1wif n SER 76 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 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 3.96 0.00 -3.33 1.01 -1.08 -3.65 120.40 117.31 1wif s VAL 77 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1wif s VAL 77 Cb 0.00 -5.00 0.00 0.00 0.00 0.00 0.00 36.38 31.38 1wif s VAL 77 CO 0.00 -1.88 0.00 0.61 0.00 0.00 0.00 175.10 173.83 1wif n GLY 78 N 6.47 0.84 2.69 4.51 0.00 -1.24 -4.02 105.19 114.44 1wif n GLY 78 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.90 0.00 -3.84 1.61 -0.00 -1.24 -4.94 115.22 105.91 1wif n HIS 79 Ca 0.00 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.83 1wif n HIS 79 Cb 0.22 -1.36 -0.12 0.00 -0.12 0.00 0.00 29.99 28.61 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 -1.33 3.14 -0.80 1.57 0.00 -1.26 -5.04 121.76 118.04 1wif s ALA 80 Ca 0.00 -2.65 -0.25 0.00 0.00 0.00 0.00 51.96 49.06 1wif s ALA 80 Cb 0.00 -2.31 -0.18 0.00 0.00 0.00 0.00 23.12 20.63 1wif s ALA 80 CO 0.00 -1.81 2.49 -1.71 0.00 0.00 0.00 175.76 174.73 1wif n ASN 81 N 4.32 0.89 -0.07 0.00 5.15 -1.26 -2.64 115.26 121.66 1wif n ASN 81 Ca 0.01 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1wif n ASN 81 Cb 0.41 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1wif n ASN 81 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wif n VAL 82 N 7.54 0.00 -1.69 3.44 0.24 -1.26 -4.78 118.33 121.82 1wif n VAL 82 Ca 0.54 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.55 1wif n VAL 82 Cb 0.27 -0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1wif n VAL 82 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wif s LEU 83 N -0.87 3.22 0.00 1.34 2.01 -1.26 -0.83 118.68 122.30 1wif s LEU 83 Ca 0.00 0.53 0.00 0.00 0.01 0.00 0.00 54.13 54.67 1wif s LEU 83 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.68 1wif s LEU 83 CO 0.00 -3.05 0.00 0.61 1.01 0.00 0.00 176.35 174.92 1wif n GLY 84 N 6.24 1.21 3.78 -3.19 0.00 -0.95 -5.07 105.19 107.20 1wif n GLY 84 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 3.90 0.15 1.61 1.51 -0.01 -4.95 117.35 117.57 1wif s TYR 85 Ca 0.00 1.65 -0.17 0.00 -1.01 0.00 0.00 57.07 57.53 1wif s TYR 85 Cb 0.00 -2.78 -0.07 0.00 -0.11 0.00 0.00 41.96 39.00 1wif s TYR 85 CO 0.00 0.50 0.61 0.95 -1.11 0.00 0.00 175.55 176.50 1wif s THR 86 N -1.18 4.73 0.18 -0.71 -4.23 -1.26 -4.37 115.64 108.80 1wif s THR 86 Ca 0.37 1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1wif s THR 86 Cb -0.23 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.04 1wif s THR 86 CO 0.26 0.32 0.94 -0.11 -0.54 0.00 0.00 174.62 175.50 1wif n LEU 87 N 1.04 -0.10 -0.03 4.79 7.94 -1.26 0.20 117.00 129.58 1wif n LEU 87 Ca -0.06 1.02 -0.13 0.00 -1.11 0.00 0.00 56.01 55.74 1wif n LEU 87 Cb 0.51 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 44.02 1wif n LEU 87 CO 0.42 -1.03 0.68 0.03 -1.11 0.00 0.00 177.39 176.39 1wif h ARG 88 N 0.00 0.14 0.00 1.96 3.08 -1.99 -2.04 114.38 115.52 1wif h ARG 88 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1wif h ARG 88 Cb 0.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1wif h ARG 88 CO -0.58 0.49 0.00 0.93 -1.07 0.00 0.00 179.97 179.74 1wif h GLU 89 N -0.22 0.00 0.00 0.04 4.39 0.19 -2.72 114.58 116.26 1wif h GLU 89 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1wif h GLU 89 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1wif h GLU 89 CO 0.01 0.00 0.00 0.34 -1.16 0.00 0.00 179.01 178.20 1wif n PHE 90 N -2.32 0.00 -0.31 4.33 7.35 0.34 -3.55 117.46 123.30 1wif n PHE 90 Ca 0.01 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.87 1wif n PHE 90 Cb 0.20 -0.43 0.36 0.00 0.35 0.00 0.00 39.48 39.95 1wif n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1wif h LEU 91 N 0.00 0.29 -1.92 -2.13 4.07 -1.45 0.93 115.31 115.11 1wif h LEU 91 Ca 0.00 0.18 0.08 0.00 0.08 0.00 0.00 57.88 58.22 1wif h LEU 91 Cb 0.00 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1wif h LEU 91 CO 0.00 -0.09 0.24 0.07 -1.08 0.00 0.00 178.44 177.57 1wif h LYS 92 N 0.32 0.09 0.34 1.13 5.09 -1.66 -0.36 116.57 121.53 1wif h LYS 92 Ca 0.62 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 61.33 1wif h LYS 92 Cb 1.28 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.59 1wif h LYS 92 CO -0.60 0.06 -0.16 1.25 -2.09 0.00 0.00 179.45 177.91 1wif h LEU 93 N 0.10 -0.38 -1.41 7.07 5.85 0.84 -3.26 115.31 124.12 1wif h LEU 93 Ca 0.16 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.07 1wif h LEU 93 Cb 0.50 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 1wif h LEU 93 CO -0.02 0.01 0.58 -0.07 -0.34 0.00 0.00 178.44 178.60 1wif h LEU 94 N -1.02 0.51 -2.35 2.25 -0.00 -1.27 0.32 115.31 113.76 1wif h LEU 94 Ca -0.05 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1wif h LEU 94 Cb 0.35 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1wif h LEU 94 CO 0.08 0.22 0.15 1.56 -0.00 0.00 0.00 178.44 180.45 1wif h GLN 95 N 0.52 0.00 -0.06 1.13 4.20 -1.13 0.40 115.11 120.18 1wif h GLN 95 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1wif h GLN 95 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1wif h GLN 95 CO -0.20 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.05 1wif n ASN 96 N -3.64 0.71 -4.76 1.46 3.02 0.11 -4.86 115.26 107.30 1wif n ASN 96 Ca -0.00 -1.49 -0.40 0.00 -0.03 0.00 0.00 54.58 52.67 1wif n ASN 96 Cb 0.25 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.93 4.20 0.40 2.41 -1.09 0.14 -5.06 121.20 120.28 1wif s ILE 97 Ca 0.32 1.91 -0.08 0.00 -2.23 0.00 0.00 60.65 60.57 1wif s ILE 97 Cb 0.16 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1wif s ILE 97 CO 0.26 0.49 0.72 -0.89 -1.23 0.00 0.00 174.94 174.29 1wif s THR 98 N -1.19 4.87 0.46 2.92 2.01 -1.26 -4.99 115.64 118.47 1wif s THR 98 Ca 0.39 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 1wif s THR 98 Cb -0.24 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1wif s THR 98 CO 0.29 -0.56 1.27 -0.63 -0.69 0.00 0.00 174.62 174.30 1wif s ILE 99 N -2.40 2.62 -1.05 1.82 1.01 -1.26 -3.58 121.20 118.36 1wif s ILE 99 Ca 0.49 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 1wif s ILE 99 Cb -0.10 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1wif s ILE 99 CO 0.34 0.03 0.89 0.61 0.00 0.00 0.00 174.94 176.81 1wif n GLY 100 N 0.61 -0.46 3.19 6.18 0.00 -0.34 -4.98 105.19 109.37 1wif n GLY 100 Ca 0.07 0.16 -0.32 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 -3.33 2.04 -0.69 2.61 2.01 -1.23 -4.93 115.64 112.12 1wif s THR 101 Ca 0.11 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 1wif s THR 101 Cb -0.01 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1wif s THR 101 CO 0.66 0.55 1.12 -0.69 -0.69 0.00 0.00 174.62 175.57 1wif s VAL 102 N 0.64 4.03 0.13 3.82 1.01 -1.26 -3.77 120.40 125.00 1wif s VAL 102 Ca -0.11 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1wif s VAL 102 Cb -0.16 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 1wif s VAL 102 CO 0.02 -1.62 -0.10 -0.76 0.00 0.00 0.00 175.10 172.64 1wif s LEU 103 N 4.87 3.03 -0.41 3.92 2.01 -1.26 -5.02 118.68 125.83 1wif s LEU 103 Ca 0.29 -0.43 -0.15 0.00 0.01 0.00 0.00 54.13 53.85 1wif s LEU 103 Cb -0.12 -1.80 0.02 0.00 0.01 0.00 0.00 46.19 44.30 1wif s LEU 103 CO 0.13 0.16 0.30 -1.58 1.01 0.00 0.00 176.35 176.37 1wif s GLN 104 N -2.39 2.99 -0.64 1.70 0.74 -1.26 -3.42 119.66 117.37 1wif s GLN 104 Ca 0.22 -1.00 -0.17 0.00 0.05 0.00 0.00 55.36 54.46 1wif s GLN 104 Cb -0.10 -3.98 0.14 0.00 1.10 0.00 0.00 33.01 30.17 1wif s GLN 104 CO 0.14 -0.75 0.67 0.42 -0.55 0.00 0.00 175.29 175.23 1wif s ILE 105 N 1.69 5.11 -0.20 -2.34 -1.09 -0.90 -3.73 121.20 119.75 1wif s ILE 105 Ca 0.05 -1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 56.79 1wif s ILE 105 Cb -0.19 -4.45 -0.04 0.00 -1.58 0.00 0.00 42.46 36.21 1wif s ILE 105 CO 0.10 -1.04 0.47 -0.75 -1.23 0.00 0.00 174.94 172.49 1wif s LYS 106 N 1.79 4.19 0.01 2.79 2.20 -1.26 -3.14 119.74 126.32 1wif s LYS 106 Ca 0.11 0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1wif s LYS 106 Cb -0.22 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1wif s LYS 106 CO 0.01 -0.10 -0.01 0.00 -0.36 0.00 0.00 175.35 174.89 1wif s ALA 107 N 1.47 0.06 0.35 3.13 0.00 0.74 0.16 121.76 127.68 1wif s ALA 107 Ca 0.22 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 1wif s ALA 107 Cb -0.15 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1wif s ALA 107 CO 0.09 -0.13 0.78 0.71 0.00 0.00 0.00 175.76 177.21 1wif s TYR 108 N -1.11 3.38 -0.26 0.00 2.02 -0.87 0.03 117.35 120.53 1wif s TYR 108 Ca -0.12 1.26 0.17 0.00 -0.37 0.00 0.00 57.07 58.02 1wif s TYR 108 Cb -0.08 -2.58 -0.25 0.00 -0.40 0.00 0.00 41.96 38.66 1wif s TYR 108 CO -0.01 0.03 0.49 0.54 -1.57 0.00 0.00 175.55 175.03 1wif n ARG 109 N -0.55 0.79 -1.77 -0.62 5.12 -0.91 -3.41 116.66 115.30 1wif n ARG 109 Ca 0.04 -0.11 -0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1wif n ARG 109 Cb 0.53 -1.38 0.06 0.00 -1.16 0.00 0.00 32.46 30.52 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wif n GLY 110 N 1.47 2.71 0.00 -0.13 0.00 -1.26 -4.90 105.19 103.09 1wif n GLY 110 Ca -0.01 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.27 0.01 -3.76 1.61 7.35 -1.26 -4.92 117.46 116.21 1wif n PHE 111 Ca 0.14 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.46 1wif n PHE 111 Cb 0.94 -0.08 -0.12 0.00 0.35 0.00 0.00 39.48 40.57 1wif n PHE 111 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1wif s LEU 112 N -4.98 4.47 0.64 -2.13 2.96 -1.26 -5.09 118.68 113.28 1wif s LEU 112 Ca -0.01 -1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 52.40 1wif s LEU 112 Cb 0.00 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1wif s LEU 112 CO 0.01 -0.37 1.23 -1.61 -1.32 0.00 0.00 176.35 174.29 1wif s GLU 113 N 1.35 2.68 0.15 1.98 8.01 -1.26 -4.84 118.70 126.77 1wif s GLU 113 Ca -0.01 1.86 -0.30 0.00 0.01 0.00 0.00 54.97 56.53 1wif s GLU 113 Cb -0.20 -1.89 -0.07 0.00 -4.31 0.00 0.00 34.13 27.66 1wif s GLU 113 CO 0.01 -1.44 1.13 0.42 0.01 0.00 0.00 175.26 175.39 1wif s ILE 114 N -1.65 3.89 -0.09 -1.63 1.01 -1.26 -4.98 121.20 116.49 1wif s ILE 114 Ca 0.78 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 1wif s ILE 114 Cb -0.32 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1wif s ILE 114 CO 0.38 0.23 1.52 -2.16 0.00 0.00 0.00 174.94 174.90 1wif s PRO 115 N 0.01 4.20 0.24 2.79 0.04 -1.26 -4.91 135.00 136.11 1wif s PRO 115 Ca 0.52 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1wif s PRO 115 Cb -0.30 -3.90 0.39 0.00 0.04 0.00 0.00 34.50 30.73 1wif s PRO 115 CO 0.34 -0.79 1.78 1.96 0.04 0.00 0.00 177.00 180.33 1wif h GLN 116 N 9.03 0.62 -1.36 4.56 1.08 -1.98 -0.85 115.11 126.21 1wif h GLN 116 Ca -0.35 -0.04 0.43 0.00 -1.45 0.00 0.00 58.65 57.24 1wif h GLN 116 Cb 1.15 -0.14 -0.11 0.00 -0.05 0.00 0.00 27.48 28.33 1wif h GLN 116 CO 0.96 0.41 0.91 1.05 -0.95 0.00 0.00 178.83 181.20 1wif h GLU 117 N 0.64 0.10 0.00 1.46 4.11 -1.85 -2.97 114.58 116.07 1wif h GLU 117 Ca 0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1wif h GLU 117 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wif h GLU 117 CO -0.29 0.06 0.00 0.91 0.07 0.00 0.00 179.01 179.77 1wif n TRP 118 N -4.55 0.00 -2.30 2.06 7.02 -0.33 -3.59 117.44 115.75 1wif n TRP 118 Ca 0.36 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.74 1wif n TRP 118 Cb 1.43 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 30.33 1wif n TRP 118 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1wif n GLN 119 N -0.46 -0.57 0.00 -0.99 1.13 -1.12 -2.12 117.38 113.24 1wif n GLN 119 Ca 0.00 0.63 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 1wif n GLN 119 Cb 0.00 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.50 1wif n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wif n ASP 120 N 0.93 0.00 -3.65 1.08 2.03 -1.26 -4.43 116.55 111.25 1wif n ASP 120 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1wif n ASP 120 Cb 0.35 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.69 1wif n ASP 120 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wif s SER 121 N -1.35 -0.21 0.00 1.67 0.15 -0.90 -5.16 113.70 107.90 1wif s SER 121 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1wif s SER 121 Cb 0.00 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1wif s SER 121 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1wif n GLY 122 N 3.20 3.57 0.19 9.45 0.00 -1.24 -4.97 105.19 115.39 1wif n GLY 122 Ca -0.17 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 1wif n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wif h PRO 123 N 0.00 0.24 -1.63 1.61 0.13 -1.87 -3.41 132.00 127.07 1wif h PRO 123 Ca 0.00 -0.13 0.18 0.00 -0.87 0.00 0.00 66.00 65.19 1wif h PRO 123 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 1wif h PRO 123 CO 0.00 0.66 -0.41 0.45 -0.23 0.00 0.00 178.00 178.47 1wif n SER 124 N -3.98 -4.24 -3.60 1.44 2.88 -1.26 -4.58 113.62 100.28 1wif n SER 124 Ca -0.02 0.47 -0.15 0.00 -1.33 0.00 0.00 58.87 57.84 1wif n SER 124 Cb 0.52 -2.26 -0.07 0.00 -0.75 0.00 0.00 64.21 61.65 1wif n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wif s SER 125 N -5.82 -0.69 0.00 -3.46 0.15 -1.26 -5.11 113.70 97.51 1wif s SER 125 Ca 0.00 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1wif s SER 125 Cb 0.00 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1wif s SER 125 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68