#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wif n SER 2 N 0.00 0.00 -3.79 1.61 2.88 -1.26 -5.19 113.62 107.87 1wif n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1wif n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wif n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wif s SER 3 N 0.00 0.41 -0.01 -3.46 0.01 -1.26 -5.18 113.70 104.20 1wif s SER 3 Ca 0.00 -1.29 -0.30 0.00 1.31 0.00 0.00 55.95 55.67 1wif s SER 3 Cb 0.00 0.55 0.11 0.00 0.21 0.00 0.00 66.02 66.89 1wif s SER 3 CO 0.00 -1.09 1.17 -0.83 0.41 0.00 0.00 173.24 172.90 1wif s GLY 4 N -3.15 -0.36 0.04 3.44 0.00 -1.26 -5.19 107.32 100.85 1wif s GLY 4 Ca 0.31 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.53 1wif s GLY 4 CO 0.15 0.19 0.68 -1.35 0.00 0.00 0.00 173.10 172.77 1wif s SER 5 N -2.78 -0.57 0.14 1.64 1.04 -1.26 -5.18 113.70 106.74 1wif s SER 5 Ca 0.12 0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.95 1wif s SER 5 Cb 0.02 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1wif s SER 5 CO -0.03 -0.76 -0.20 -0.55 0.98 0.00 0.00 173.24 172.68 1wif s SER 6 N -2.03 3.70 0.00 7.02 0.15 -1.26 -4.99 113.70 116.30 1wif s SER 6 Ca -0.03 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wif s SER 6 Cb -0.01 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1wif s SER 6 CO -0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1wif n GLY 7 N 0.64 0.40 2.65 9.45 0.00 -0.75 -4.93 105.19 112.65 1wif n GLY 7 Ca -0.15 -1.57 -0.47 0.00 0.00 0.00 0.00 46.02 43.83 1wif n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wif n SER 8 N -0.52 0.63 0.00 1.61 2.88 -0.21 -4.71 113.62 113.31 1wif n SER 8 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wif n SER 8 Cb 0.00 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 2.40 0.00 0.00 -1.46 4.81 -1.26 -5.01 118.16 117.63 1wif n LYS 9 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1wif n LYS 9 Cb -0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.03 1wif n LYS 9 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wif n ASN 10 N 0.00 0.00 -2.09 3.14 4.13 -1.26 -5.10 115.26 114.08 1wif n ASN 10 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1wif n ASN 10 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.00 -5.58 -2.10 3.52 1.02 -1.26 -4.66 120.64 111.58 1wif n GLU 11 Ca 0.00 3.96 -0.07 0.00 -0.02 0.00 0.00 57.16 61.03 1wif n GLU 11 Cb 0.00 -4.31 0.01 0.00 -0.02 0.00 0.00 31.44 27.12 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wif n LYS 12 N 1.90 -0.43 0.00 3.49 4.76 -1.26 -4.96 118.16 121.67 1wif n LYS 12 Ca 0.00 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1wif n LYS 12 Cb 0.00 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1wif n LYS 12 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wif n GLU 13 N 0.61 0.14 -2.07 1.97 2.13 -1.26 -5.08 120.64 117.07 1wif n GLU 13 Ca -0.02 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.39 1wif n GLU 13 Cb 0.31 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.99 1wif n GLU 13 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1wif s GLN 14 N 1.76 4.30 0.03 5.31 -0.21 -1.26 -4.80 119.66 124.79 1wif s GLN 14 Ca 0.00 2.23 -0.03 0.00 0.02 0.00 0.00 55.36 57.58 1wif s GLN 14 Cb 0.00 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 1wif s GLN 14 CO 0.00 -0.38 0.04 -0.51 -2.12 0.00 0.00 175.29 172.32 1wif s LEU 15 N -0.21 2.01 0.00 2.90 1.43 -1.26 -1.04 118.68 122.52 1wif s LEU 15 Ca 0.59 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1wif s LEU 15 Cb -0.40 0.38 0.00 0.00 0.03 0.00 0.00 46.19 46.20 1wif s LEU 15 CO 0.41 -0.42 0.58 -0.24 0.23 0.00 0.00 176.35 176.90 1wif n SER 16 N 1.09 1.11 -4.89 2.29 2.88 -1.26 -4.91 113.62 109.92 1wif n SER 16 Ca -0.21 -1.25 -0.29 0.00 -1.33 0.00 0.00 58.87 55.80 1wif n SER 16 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1wif n SER 16 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wif s LYS 17 N -0.25 3.42 0.00 -1.46 0.00 -1.26 -4.99 119.74 115.20 1wif s LYS 17 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 55.97 56.34 1wif s LYS 17 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 37.83 35.59 1wif s LYS 17 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 175.35 174.89 1wif n ALA 18 N -2.53 0.00 -1.50 0.59 0.00 -1.26 -5.15 120.51 110.66 1wif n ALA 18 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.02 1wif n ALA 18 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1wif n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wif n LYS 19 N 0.00 0.75 -1.48 0.00 4.76 -1.26 -4.78 118.16 116.14 1wif n LYS 19 Ca 0.00 0.26 -0.46 0.00 -2.87 0.00 0.00 58.31 55.24 1wif n LYS 19 Cb 0.00 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wif n ALA 20 N 0.05 -1.73 -2.28 7.82 0.00 -1.26 -4.91 120.51 118.20 1wif n ALA 20 Ca 0.13 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.82 1wif n ALA 20 Cb 0.30 -1.78 0.03 0.00 0.00 0.00 0.00 19.45 17.99 1wif n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wif n SER 21 N 1.66 3.86 -4.72 0.00 2.88 -1.26 -5.09 113.62 110.95 1wif n SER 21 Ca 0.14 -3.20 -0.35 0.00 -1.33 0.00 0.00 58.87 54.13 1wif n SER 21 Cb 0.28 -0.39 0.09 0.00 -0.75 0.00 0.00 64.21 63.45 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 -4.35 2.22 -0.49 2.46 0.11 -1.26 -5.00 120.40 114.08 1wif s VAL 22 Ca 0.43 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.66 1wif s VAL 22 Cb 0.38 -2.73 0.24 0.00 -1.53 0.00 0.00 36.38 32.74 1wif s VAL 22 CO 0.01 -0.05 0.89 -0.24 -3.33 0.00 0.00 175.10 172.38 1wif n SER 23 N -2.65 -2.88 -2.61 3.54 2.88 -1.26 -5.01 113.62 105.63 1wif n SER 23 Ca 0.14 -3.31 -0.34 0.00 -1.33 0.00 0.00 58.87 54.03 1wif n SER 23 Cb 0.50 1.82 0.03 0.00 -0.75 0.00 0.00 64.21 65.81 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 1.64 7.27 -4.74 -3.46 2.88 -1.26 -4.99 113.62 110.95 1wif n SER 24 Ca 0.09 -3.63 -0.41 0.00 -1.33 0.00 0.00 58.87 53.59 1wif n SER 24 Cb 0.63 -1.08 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wif s LEU 25 N -3.44 4.40 -0.28 2.46 1.43 -1.26 -5.01 118.68 116.98 1wif s LEU 25 Ca 0.55 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 56.25 1wif s LEU 25 Cb 0.43 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1wif s LEU 25 CO -0.25 -0.62 -0.06 0.20 0.23 0.00 0.00 176.35 175.85 1wif s ASN 26 N 0.29 4.51 0.24 2.29 0.01 -1.26 -5.11 114.94 115.91 1wif s ASN 26 Ca 0.58 -1.63 -0.26 0.00 -0.71 0.00 0.00 52.86 50.84 1wif s ASN 26 Cb -0.40 -1.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 1wif s ASN 26 CO 0.42 -0.25 0.85 -1.59 -1.51 0.00 0.00 177.10 175.02 1wif s LYS 27 N 1.06 4.58 0.13 -0.60 -2.85 -1.26 -5.02 119.74 115.78 1wif s LYS 27 Ca -0.02 1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 55.89 1wif s LYS 27 Cb -0.20 -3.06 -0.07 0.00 -2.06 0.00 0.00 37.83 32.45 1wif s LYS 27 CO -0.06 0.44 0.90 0.08 0.10 0.00 0.00 175.35 176.82 1wif s VAL 28 N -1.36 4.45 -0.10 1.79 1.01 -1.26 -4.32 120.40 120.60 1wif s VAL 28 Ca 0.42 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 64.19 1wif s VAL 28 Cb -0.21 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1wif s VAL 28 CO 0.26 0.38 0.45 -0.63 0.00 0.00 0.00 175.10 175.56 1wif s ILE 29 N -0.34 5.17 -0.17 2.22 -1.09 0.01 -4.97 121.20 122.02 1wif s ILE 29 Ca 0.43 0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 59.69 1wif s ILE 29 Cb -0.23 -3.78 0.08 0.00 -1.58 0.00 0.00 42.46 36.95 1wif s ILE 29 CO 0.29 0.38 0.36 0.00 -1.23 0.00 0.00 174.94 174.74 1wif s GLN 30 N 0.31 0.26 0.05 2.79 -2.07 -1.26 -0.13 119.66 119.60 1wif s GLN 30 Ca 0.25 0.92 -0.06 0.00 -1.82 0.00 0.00 55.36 54.65 1wif s GLN 30 Cb -0.15 0.19 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 1wif s GLN 30 CO 0.10 -0.26 0.12 -0.08 -1.32 0.00 0.00 175.29 173.85 1wif s THR 31 N 2.50 0.13 -0.34 3.63 -1.32 -1.12 -4.97 115.64 114.15 1wif s THR 31 Ca -0.01 -1.11 -0.15 0.00 -1.21 0.00 0.00 61.69 59.21 1wif s THR 31 Cb -0.12 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1wif s THR 31 CO -0.11 -0.61 0.36 -0.54 -2.21 0.00 0.00 174.62 171.51 1wif s LYS 32 N -2.86 3.56 0.12 7.08 3.01 -1.26 -2.57 119.74 126.83 1wif s LYS 32 Ca -0.03 -0.42 -0.16 0.00 -1.01 0.00 0.00 55.97 54.35 1wif s LYS 32 Cb 0.00 -3.80 -0.07 0.00 -1.01 0.00 0.00 37.83 32.95 1wif s LYS 32 CO -0.06 -0.52 0.56 -0.51 0.51 0.00 0.00 175.35 175.33 1wif s LEU 33 N 2.01 4.42 -0.78 3.17 1.43 -1.25 -4.92 118.68 122.76 1wif s LEU 33 Ca 0.12 1.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.17 1wif s LEU 33 Cb -0.17 -3.12 0.10 0.00 0.03 0.00 0.00 46.19 43.03 1wif s LEU 33 CO 0.12 0.17 1.03 -0.89 0.23 0.00 0.00 176.35 177.01 1wif s THR 34 N -1.32 4.52 0.20 5.49 2.01 -1.26 -4.20 115.64 121.08 1wif s THR 34 Ca 0.34 -0.94 -0.32 0.00 0.31 0.00 0.00 61.69 61.08 1wif s THR 34 Cb -0.17 -4.72 -0.15 0.00 0.01 0.00 0.00 72.50 67.47 1wif s THR 34 CO 0.19 -1.47 1.28 0.52 -0.69 0.00 0.00 174.62 174.45 1wif n VAL 35 N 5.74 0.90 -2.09 3.82 0.31 -1.24 -4.48 118.33 121.29 1wif n VAL 35 Ca 0.09 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1wif n VAL 35 Cb 0.47 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 2.10 3.01 0.11 2.92 0.00 -1.26 -1.46 105.19 110.61 1wif n GLY 36 Ca 0.13 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 0.32 0.05 1.61 -1.24 -1.94 -3.22 115.58 111.17 1wif h ASN 37 Ca 0.00 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1wif h ASN 37 Cb 0.00 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1wif h ASN 37 CO 0.00 1.20 -0.16 0.18 -1.29 0.00 0.00 177.43 177.35 1wif n LEU 38 N -3.56 1.77 -1.68 0.34 4.77 -1.26 -5.01 117.00 112.37 1wif n LEU 38 Ca -0.06 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1wif n LEU 38 Cb 0.94 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1wif n LEU 38 CO 0.51 0.31 -0.49 0.61 -1.33 0.00 0.00 177.39 176.99 1wif n GLY 39 N 1.30 -4.51 3.46 -0.72 0.00 -1.22 -4.53 105.19 98.98 1wif n GLY 39 Ca 0.14 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.59 1.18 -0.35 0.99 -0.00 -1.26 -4.75 117.00 111.21 1wif n LEU 40 Ca 0.00 0.16 0.14 0.00 -0.00 0.00 0.00 56.01 56.31 1wif n LEU 40 Cb 0.20 -1.13 0.61 0.00 -0.00 0.00 0.00 43.42 43.10 1wif n LEU 40 CO 0.00 -0.91 0.92 0.61 -0.00 0.00 0.00 177.39 178.01 1wif n GLY 41 N 6.56 -0.25 0.00 1.47 0.00 -1.26 -4.94 105.19 106.77 1wif n GLY 41 Ca 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.13 0.00 -4.45 0.99 -0.00 -1.26 -4.60 117.00 107.55 1wif n LEU 42 Ca 0.20 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.79 1wif n LEU 42 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1wif n LEU 42 CO 0.16 0.00 2.03 0.52 -0.00 0.00 0.00 177.39 180.10 1wif n VAL 43 N 0.00 3.65 -1.96 1.47 0.31 0.68 -4.88 118.33 117.60 1wif n VAL 43 Ca 0.00 -3.71 -0.29 0.00 -0.01 0.00 0.00 64.34 60.33 1wif n VAL 43 Cb 0.00 -2.37 0.13 0.00 -0.91 0.00 0.00 33.84 30.69 1wif n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wif s VAL 44 N 4.77 2.03 0.32 2.52 1.01 -1.26 -1.47 120.40 128.32 1wif s VAL 44 Ca 0.55 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1wif s VAL 44 Cb 0.05 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1wif s VAL 44 CO 0.06 0.00 0.24 0.27 0.00 0.00 0.00 175.10 175.68 1wif s ILE 45 N -3.68 0.05 -0.71 2.22 -4.36 -1.01 -4.72 121.20 108.99 1wif s ILE 45 Ca 0.67 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.00 1wif s ILE 45 Cb -0.08 -2.49 0.18 0.00 1.25 0.00 0.00 42.46 41.33 1wif s ILE 45 CO 0.50 0.00 0.56 -1.58 0.24 0.00 0.00 174.94 174.67 1wif s GLN 46 N -3.58 2.93 -0.43 0.37 -0.44 -1.26 -3.73 119.66 113.52 1wif s GLN 46 Ca 0.39 -2.59 0.00 0.00 -2.50 0.00 0.00 55.36 50.67 1wif s GLN 46 Cb 0.03 -3.95 0.12 0.00 -1.64 0.00 0.00 33.01 27.57 1wif s GLN 46 CO 0.24 -1.21 0.19 1.21 0.50 0.00 0.00 175.29 176.22 1wif s ASN 47 N 1.01 5.00 0.15 6.67 2.47 -1.24 -5.05 114.94 123.96 1wif s ASN 47 Ca 0.18 -2.29 0.00 0.00 0.42 0.00 0.00 52.86 51.17 1wif s ASN 47 Cb -0.16 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1wif s ASN 47 CO -0.05 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 173.50 1wif n GLY 48 N 4.17 -1.51 0.00 1.21 0.00 -1.26 -3.76 105.19 104.04 1wif n GLY 48 Ca 0.02 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.15 0.24 -4.68 1.61 -0.04 -1.26 -4.75 135.00 125.97 1wif n PRO 49 Ca 0.00 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1wif n PRO 49 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.52 2.16 -0.07 0.54 2.02 -1.25 -4.24 117.35 113.99 1wif s TYR 50 Ca 0.15 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1wif s TYR 50 Cb 0.10 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1wif s TYR 50 CO 0.22 0.31 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.92 1wif s LEU 51 N -3.81 3.04 -0.13 -1.29 1.43 -1.26 -3.60 118.68 113.06 1wif s LEU 51 Ca 0.19 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1wif s LEU 51 Cb 0.05 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1wif s LEU 51 CO 0.10 0.33 -0.14 -1.10 0.23 0.00 0.00 176.35 175.77 1wif s GLN 52 N -0.63 2.21 -0.43 1.70 -0.21 -1.24 -3.70 119.66 117.35 1wif s GLN 52 Ca 0.09 -0.53 -0.27 0.00 0.02 0.00 0.00 55.36 54.67 1wif s GLN 52 Cb -0.11 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1wif s GLN 52 CO 0.02 -0.17 2.04 0.42 -2.12 0.00 0.00 175.29 175.47 1wif s ILE 53 N 1.32 3.25 0.19 1.08 1.01 -1.14 -2.41 121.20 124.49 1wif s ILE 53 Ca 0.01 0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.95 1wif s ILE 53 Cb -0.14 -3.46 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 1wif s ILE 53 CO -0.07 -0.38 1.44 -1.28 0.00 0.00 0.00 174.94 174.65 1wif h SER 54 N 15.52 0.00 -4.17 3.58 0.87 -1.73 0.85 113.55 128.46 1wif h SER 54 Ca -0.30 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1wif h SER 54 Cb 1.20 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.94 1wif h SER 54 CO 1.10 0.81 0.49 -2.28 -0.53 0.00 0.00 176.83 176.42 1wif s HIS 55 N -3.15 -0.42 -0.10 2.24 5.65 -0.54 -4.84 115.29 114.13 1wif s HIS 55 Ca -0.00 0.75 -0.02 0.00 0.25 0.00 0.00 55.06 56.04 1wif s HIS 55 Cb 0.11 0.44 -0.03 0.00 -1.18 0.00 0.00 32.58 31.92 1wif s HIS 55 CO 0.79 -0.37 -0.02 -0.51 -0.65 0.00 0.00 174.74 173.98 1wif s LEU 56 N -1.01 3.44 -0.46 8.88 1.43 -1.26 0.25 118.68 129.94 1wif s LEU 56 Ca -0.03 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 1wif s LEU 56 Cb -0.01 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1wif s LEU 56 CO 0.02 0.33 1.70 -0.63 0.23 0.00 0.00 176.35 178.01 1wif s ILE 57 N -0.59 3.55 0.25 -0.59 1.09 -1.26 -4.79 121.20 118.85 1wif s ILE 57 Ca 0.09 0.50 -0.09 0.00 -1.10 0.00 0.00 60.65 60.05 1wif s ILE 57 Cb -0.12 -3.92 0.38 0.00 -1.06 0.00 0.00 42.46 37.74 1wif s ILE 57 CO 0.02 -0.71 1.44 -3.20 -0.10 0.00 0.00 174.94 172.39 1wif n ASN 58 N 10.69 -0.40 -1.57 3.58 5.15 -1.26 0.16 115.26 131.61 1wif n ASN 58 Ca 0.20 1.60 -0.03 0.00 -0.60 0.00 0.00 54.58 55.74 1wif n ASN 58 Cb 0.49 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.29 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 -5.47 1.16 -0.93 1.20 4.76 -1.26 -4.52 118.16 113.10 1wif n LYS 59 Ca 0.14 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1wif n LYS 59 Cb 0.44 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wif n GLY 60 N 1.26 5.78 0.12 0.72 0.00 0.41 -4.88 105.19 108.61 1wif n GLY 60 Ca 0.06 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 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 0.90 -0.16 4.61 0.00 -1.26 -3.98 120.51 117.62 1wif n ALA 61 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 1wif n ALA 61 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.35 0.61 -0.03 0.00 0.00 -1.91 -2.35 119.26 115.23 1wif h ALA 62 Ca -0.43 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1wif h ALA 62 Cb 1.60 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1wif h ALA 62 CO -0.14 0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.50 1wif h ALA 63 N 0.96 1.30 -0.29 0.00 0.00 -1.77 0.28 119.26 119.74 1wif h ALA 63 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wif h ALA 63 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wif h ALA 63 CO 0.01 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.61 1wif n SER 64 N -3.38 2.70 -4.27 0.00 7.64 -0.90 -4.80 113.62 110.63 1wif n SER 64 Ca -0.02 -1.88 -0.38 0.00 1.01 0.00 0.00 58.87 57.60 1wif n SER 64 Cb 0.14 -0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.52 5.32 0.03 6.43 -1.08 0.99 -4.95 116.67 121.88 1wif s ASP 65 Ca 0.36 -1.18 0.09 0.00 -0.52 0.00 0.00 52.55 51.30 1wif s ASP 65 Cb 0.20 -1.87 0.41 0.00 -1.46 0.00 0.00 42.92 40.21 1wif s ASP 65 CO 0.29 -0.34 1.30 0.61 0.52 0.00 0.00 175.17 177.55 1wif n GLY 66 N 4.81 -0.81 0.07 2.66 0.00 -1.26 -2.68 105.19 107.97 1wif n GLY 66 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 1.79 -3.23 -0.61 5.03 -1.92 -3.44 117.51 115.13 1wif h ILE 67 Ca 0.00 -2.35 -0.56 0.00 -0.12 0.00 0.00 64.86 61.83 1wif h ILE 67 Cb 0.15 3.38 -0.05 0.00 -3.03 0.00 0.00 36.82 37.28 1wif h ILE 67 CO 0.00 0.61 0.59 -0.76 -0.68 0.00 0.00 178.15 177.91 1wif s LEU 68 N -8.22 4.21 0.14 1.44 1.43 -1.09 -5.03 118.68 111.56 1wif s LEU 68 Ca -0.19 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 1wif s LEU 68 Cb -0.03 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1wif s LEU 68 CO 0.69 -0.48 -0.07 0.00 0.23 0.00 0.00 176.35 176.72 1wif s GLN 69 N 2.24 2.18 -1.14 1.70 -2.07 -1.26 -4.82 119.66 116.49 1wif s GLN 69 Ca 0.47 -1.11 -0.23 0.00 -1.82 0.00 0.00 55.36 52.66 1wif s GLN 69 Cb -0.17 -2.28 -0.08 0.00 -1.09 0.00 0.00 33.01 29.38 1wif s GLN 69 CO 0.15 0.47 1.94 -1.25 -1.32 0.00 0.00 175.29 175.28 1wif s PRO 70 N -2.57 2.50 0.00 9.60 0.04 -1.26 -3.36 135.00 139.96 1wif s PRO 70 Ca 0.24 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1wif s PRO 70 Cb -0.10 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1wif s PRO 70 CO 0.15 -3.89 0.00 0.41 0.04 0.00 0.00 177.00 173.71 1wif n GLY 71 N 5.97 0.00 3.75 0.56 0.00 0.29 -4.63 105.19 111.14 1wif n GLY 71 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 4.71 -0.39 1.61 1.47 -1.21 -4.79 116.67 118.06 1wif s ASP 72 Ca 0.00 -0.80 -0.04 0.00 1.18 0.00 0.00 52.55 52.89 1wif s ASP 72 Cb 0.00 -0.69 0.09 0.00 -0.34 0.00 0.00 42.92 41.97 1wif s ASP 72 CO 0.00 -0.36 0.17 -0.69 0.68 0.00 0.00 175.17 174.97 1wif s VAL 73 N -2.45 3.48 0.54 2.11 1.01 -1.20 -2.90 120.40 121.00 1wif s VAL 73 Ca 0.39 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 1wif s VAL 73 Cb -0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1wif s VAL 73 CO 0.23 -0.50 1.23 -0.76 0.00 0.00 0.00 175.10 175.30 1wif s LEU 74 N 1.25 3.80 0.00 3.92 2.01 -1.24 -1.97 118.68 126.44 1wif s LEU 74 Ca 0.04 2.44 0.00 0.00 0.01 0.00 0.00 54.13 56.62 1wif s LEU 74 Cb -0.22 -4.43 0.00 0.00 0.01 0.00 0.00 46.19 41.55 1wif s LEU 74 CO -0.02 -1.39 0.91 -0.38 1.01 0.00 0.00 176.35 176.48 1wif n ILE 75 N -1.16 0.00 0.00 -0.59 -0.00 0.66 -4.17 119.36 114.10 1wif n ILE 75 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1wif n ILE 75 Cb 0.48 0.58 0.00 0.00 -0.00 0.00 0.00 39.64 40.71 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 0.00 0.00 -4.46 4.38 3.41 -1.25 -4.13 113.62 111.57 1wif n SER 76 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1wif n SER 76 Cb 0.66 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 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 4.36 0.00 -3.33 1.01 -0.90 -3.72 120.40 117.82 1wif s VAL 77 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1wif s VAL 77 Cb 0.00 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1wif s VAL 77 CO 0.00 -1.51 0.00 0.61 0.00 0.00 0.00 175.10 174.20 1wif n GLY 78 N 5.44 0.82 2.10 4.51 0.00 -1.24 -3.78 105.19 113.05 1wif n GLY 78 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 -0.32 -4.02 1.61 -0.00 -1.26 -4.89 115.22 105.08 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 0.45 -2.33 -0.15 0.00 -0.12 0.00 0.00 29.99 27.85 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 -1.82 2.83 -0.71 1.57 0.00 -1.25 -5.05 121.76 117.34 1wif s ALA 80 Ca 0.00 -2.34 -0.27 0.00 0.00 0.00 0.00 51.96 49.35 1wif s ALA 80 Cb 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 23.12 21.08 1wif s ALA 80 CO 0.00 -1.57 2.50 -1.71 0.00 0.00 0.00 175.76 174.98 1wif n ASN 81 N 4.32 1.43 -1.46 0.00 2.85 -1.26 -2.12 115.26 119.02 1wif n ASN 81 Ca -0.01 -0.36 0.08 0.00 -0.11 0.00 0.00 54.58 54.18 1wif n ASN 81 Cb 0.42 -1.32 0.32 0.00 1.24 0.00 0.00 39.78 40.43 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 7.79 1.68 -0.19 3.44 0.24 -1.26 -4.56 118.33 125.47 1wif n VAL 82 Ca 0.49 -1.04 -0.05 0.00 -2.04 0.00 0.00 64.34 61.70 1wif n VAL 82 Cb 0.35 0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.76 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 3.58 -1.07 -3.10 1.34 6.46 -1.76 -0.65 115.31 120.11 1wif h LEU 83 Ca 0.00 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1wif h LEU 83 Cb 1.35 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 1wif h LEU 83 CO 0.23 -0.30 0.00 0.61 -0.62 0.00 0.00 178.44 178.36 1wif n GLY 84 N -1.43 2.89 3.76 3.75 0.00 -1.26 -4.30 105.19 108.60 1wif n GLY 84 Ca 0.04 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1wif n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wif s TYR 85 N -1.78 3.22 0.54 1.61 1.51 -0.25 -4.94 117.35 117.25 1wif s TYR 85 Ca 0.46 1.48 0.04 0.00 -1.01 0.00 0.00 57.07 58.05 1wif s TYR 85 Cb 0.30 -3.56 0.05 0.00 -0.11 0.00 0.00 41.96 38.64 1wif s TYR 85 CO 0.22 -1.48 0.75 0.95 -1.11 0.00 0.00 175.55 174.88 1wif s THR 86 N -1.06 2.61 0.17 -0.71 -4.23 -1.26 -4.44 115.64 106.72 1wif s THR 86 Ca 0.48 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1wif s THR 86 Cb -0.37 -2.81 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1wif s THR 86 CO 0.48 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.50 1wif h LEU 87 N 0.16 -0.21 0.65 4.79 5.85 -1.96 0.75 115.31 125.35 1wif h LEU 87 Ca -0.39 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1wif h LEU 87 Cb 1.29 0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.51 1wif h LEU 87 CO 0.47 -0.06 -0.31 0.03 -0.34 0.00 0.00 178.44 178.22 1wif h ARG 88 N 0.09 -0.84 -0.48 1.25 2.47 -1.98 0.07 114.38 114.96 1wif h ARG 88 Ca 0.21 0.06 0.14 0.00 -1.26 0.00 0.00 59.98 59.12 1wif h ARG 88 Cb 0.30 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1wif h ARG 88 CO -0.36 -0.56 0.38 0.93 0.56 0.00 0.00 179.97 180.92 1wif h GLU 89 N -0.97 0.00 0.00 0.04 4.39 -1.92 -1.03 114.58 115.10 1wif h GLU 89 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1wif h GLU 89 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1wif h GLU 89 CO 0.15 0.00 0.00 0.34 -1.16 0.00 0.00 179.01 178.34 1wif n PHE 90 N -4.18 0.00 -0.33 4.33 7.35 0.26 -2.18 117.46 122.71 1wif n PHE 90 Ca 0.09 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.01 1wif n PHE 90 Cb 0.59 -0.44 0.46 0.00 0.35 0.00 0.00 39.48 40.44 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 0.50 -1.25 -2.13 -0.00 -0.85 1.14 115.31 112.72 1wif h LEU 91 Ca 0.00 0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 58.01 1wif h LEU 91 Cb 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1wif h LEU 91 CO 0.00 -0.13 -0.13 0.07 -0.00 0.00 0.00 178.44 178.25 1wif h LYS 92 N 0.33 0.35 0.43 1.13 5.09 -1.29 -1.89 116.57 120.72 1wif h LYS 92 Ca 0.73 -0.09 -0.02 0.00 0.09 0.00 0.00 60.65 61.35 1wif h LYS 92 Cb 1.64 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.93 1wif h LYS 92 CO -0.61 0.49 -0.21 1.25 -2.09 0.00 0.00 179.45 178.28 1wif h LEU 93 N 0.33 -0.49 -1.94 7.07 5.85 0.18 -3.04 115.31 123.27 1wif h LEU 93 Ca 0.06 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.00 1wif h LEU 93 Cb 0.44 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1wif h LEU 93 CO 0.03 -0.23 0.52 -0.07 -0.34 0.00 0.00 178.44 178.35 1wif h LEU 94 N -0.83 0.06 -1.89 2.25 -0.00 -1.43 0.42 115.31 113.88 1wif h LEU 94 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1wif h LEU 94 Cb 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1wif h LEU 94 CO 0.10 0.02 -0.13 1.56 -0.00 0.00 0.00 178.44 179.99 1wif h GLN 95 N 0.06 0.00 -0.68 1.13 1.08 -1.30 -1.33 115.11 114.07 1wif h GLN 95 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1wif h GLN 95 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1wif h GLN 95 CO -0.02 0.13 0.00 0.09 -0.95 0.00 0.00 178.83 178.07 1wif n ASN 96 N -3.78 2.24 -4.88 1.46 3.02 0.15 -4.87 115.26 108.60 1wif n ASN 96 Ca -0.02 -2.22 -0.34 0.00 -0.03 0.00 0.00 54.58 51.96 1wif n ASN 96 Cb 0.23 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.62 5.18 0.36 2.41 -1.09 -0.50 -5.10 121.20 120.84 1wif s ILE 97 Ca 0.18 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 1wif s ILE 97 Cb 0.13 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1wif s ILE 97 CO 0.07 0.28 0.59 -0.89 -1.23 0.00 0.00 174.94 173.76 1wif s THR 98 N -1.39 5.06 0.61 2.92 2.01 -1.26 -4.99 115.64 118.60 1wif s THR 98 Ca 0.32 -0.27 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1wif s THR 98 Cb -0.13 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1wif s THR 98 CO 0.18 -0.57 1.25 -0.63 -0.69 0.00 0.00 174.62 174.16 1wif s ILE 99 N -2.35 2.37 -1.18 1.82 1.01 -1.26 -3.56 121.20 118.04 1wif s ILE 99 Ca 0.42 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 1wif s ILE 99 Cb -0.10 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 1wif s ILE 99 CO 0.37 -0.05 0.80 0.61 0.00 0.00 0.00 174.94 176.67 1wif n GLY 100 N 0.68 -0.73 3.21 6.18 0.00 -0.54 -4.98 105.19 109.02 1wif n GLY 100 Ca 0.14 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.52 1.95 -0.42 2.61 2.01 -1.23 -4.93 115.64 112.11 1wif s THR 101 Ca 0.26 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1wif s THR 101 Cb -0.06 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1wif s THR 101 CO 0.80 0.54 0.66 -0.69 -0.69 0.00 0.00 174.62 175.24 1wif s VAL 102 N 0.29 4.82 0.08 3.82 1.01 -1.26 -3.61 120.40 125.55 1wif s VAL 102 Ca -0.16 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1wif s VAL 102 Cb -0.17 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1wif s VAL 102 CO 0.08 -0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 173.69 1wif s LEU 103 N 2.85 2.67 -0.81 3.92 2.01 -1.26 -5.02 118.68 123.03 1wif s LEU 103 Ca 0.24 -0.50 -0.18 0.00 0.01 0.00 0.00 54.13 53.70 1wif s LEU 103 Cb -0.14 -1.54 0.14 0.00 0.01 0.00 0.00 46.19 44.66 1wif s LEU 103 CO 0.18 0.21 0.93 -1.58 1.01 0.00 0.00 176.35 177.10 1wif s GLN 104 N -1.84 3.43 -0.71 1.70 0.74 -1.26 -3.78 119.66 117.93 1wif s GLN 104 Ca 0.17 -1.76 -0.23 0.00 0.05 0.00 0.00 55.36 53.58 1wif s GLN 104 Cb -0.11 -4.60 0.07 0.00 1.10 0.00 0.00 33.01 29.47 1wif s GLN 104 CO 0.08 -1.60 1.07 0.42 -0.55 0.00 0.00 175.29 174.70 1wif s ILE 105 N 2.17 4.21 -0.37 -2.34 -1.09 -1.06 -3.64 121.20 119.07 1wif s ILE 105 Ca 0.23 -0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.19 1wif s ILE 105 Cb -0.12 -4.76 -0.00 0.00 -1.58 0.00 0.00 42.46 36.00 1wif s ILE 105 CO -0.04 -1.57 0.32 -0.75 -1.23 0.00 0.00 174.94 171.67 1wif s LYS 106 N 4.35 3.34 0.10 2.79 2.20 -1.24 -2.80 119.74 128.48 1wif s LYS 106 Ca 0.27 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1wif s LYS 106 Cb -0.13 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1wif s LYS 106 CO 0.09 -0.60 -0.11 0.00 -0.36 0.00 0.00 175.35 174.36 1wif s ALA 107 N 1.88 1.21 0.08 3.13 0.00 0.81 -0.25 121.76 128.62 1wif s ALA 107 Ca 0.09 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 1wif s ALA 107 Cb -0.17 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1wif s ALA 107 CO 0.11 -0.01 0.51 0.71 0.00 0.00 0.00 175.76 177.08 1wif s TYR 108 N -2.44 3.71 -0.41 0.00 2.02 -0.83 -0.81 117.35 118.57 1wif s TYR 108 Ca 0.07 1.10 0.05 0.00 -0.37 0.00 0.00 57.07 57.92 1wif s TYR 108 Cb -0.03 -2.38 0.51 0.00 -0.40 0.00 0.00 41.96 39.67 1wif s TYR 108 CO 0.01 0.55 1.63 -2.13 -1.57 0.00 0.00 175.55 174.03 1wif n ARG 109 N 1.39 2.46 0.00 -0.62 0.63 -1.26 -3.25 116.66 116.00 1wif n ARG 109 Ca -0.09 -3.38 0.00 0.00 -0.92 0.00 0.00 57.85 53.46 1wif n ARG 109 Cb 0.52 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wif n GLY 110 N -1.00 0.00 0.31 5.14 0.00 -1.26 -5.00 105.19 103.38 1wif n GLY 110 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.64 1.61 7.35 -1.26 -4.95 117.46 116.57 1wif n PHE 111 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 1wif n PHE 111 Cb 0.00 -0.26 -0.12 0.00 0.35 0.00 0.00 39.48 39.46 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 -6.87 4.44 0.74 -2.13 2.96 -1.26 -5.08 118.68 111.49 1wif s LEU 112 Ca -0.15 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.75 1wif s LEU 112 Cb 0.02 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.77 1wif s LEU 112 CO 0.22 -0.31 1.23 -1.61 -1.32 0.00 0.00 176.35 174.57 1wif s GLU 113 N 1.55 2.00 -0.01 1.98 0.41 -1.26 -4.91 118.70 118.46 1wif s GLU 113 Ca 0.02 1.86 -0.25 0.00 -0.41 0.00 0.00 54.97 56.19 1wif s GLU 113 Cb -0.18 -1.81 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 1wif s GLU 113 CO 0.06 -1.96 0.77 0.42 -0.49 0.00 0.00 175.26 174.06 1wif s ILE 114 N -1.88 4.90 -0.19 -1.63 1.01 -1.26 -5.01 121.20 117.15 1wif s ILE 114 Ca 0.76 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.73 1wif s ILE 114 Cb -0.32 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1wif s ILE 114 CO 0.46 0.28 1.59 -2.16 0.00 0.00 0.00 174.94 175.11 1wif s PRO 115 N 0.52 3.91 0.17 2.79 0.04 -1.26 -4.91 135.00 136.25 1wif s PRO 115 Ca 0.40 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 1wif s PRO 115 Cb -0.19 -4.00 0.11 0.00 0.04 0.00 0.00 34.50 30.45 1wif s PRO 115 CO 0.21 -1.16 1.74 1.96 0.04 0.00 0.00 177.00 179.80 1wif h GLN 116 N 10.26 0.27 -0.77 4.56 1.08 -1.95 -2.41 115.11 126.15 1wif h GLN 116 Ca -0.34 -0.02 0.21 0.00 -1.45 0.00 0.00 58.65 57.06 1wif h GLN 116 Cb 1.15 -0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.38 1wif h GLN 116 CO 0.99 0.18 0.00 0.39 -0.95 0.00 0.00 178.83 179.44 1wif n GLU 117 N -5.04 -0.06 0.04 1.46 4.71 -1.26 -0.79 120.64 119.70 1wif n GLU 117 Ca 0.03 1.16 -0.03 0.00 -0.01 0.00 0.00 57.16 58.32 1wif n GLU 117 Cb 0.16 -1.84 -0.01 0.00 -1.01 0.00 0.00 31.44 28.74 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 1wif h TRP 118 N 0.00 -0.19 -1.00 -0.32 4.06 -1.84 -3.40 115.95 113.26 1wif h TRP 118 Ca 0.46 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.72 1wif h TRP 118 Cb 0.95 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 1wif h TRP 118 CO -0.41 -0.09 1.33 1.04 -3.56 0.00 0.00 178.44 176.75 1wif n GLN 119 N -2.69 0.94 -0.01 0.49 1.13 0.03 -4.84 117.38 112.43 1wif n GLN 119 Ca -0.02 0.27 -0.11 0.00 -1.94 0.00 0.00 57.00 55.21 1wif n GLN 119 Cb 0.06 -2.27 -0.09 0.00 0.11 0.00 0.00 30.24 28.05 1wif n GLN 119 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1wif h ASP 120 N 11.16 -0.07 -2.94 1.08 3.58 -1.81 -3.42 116.42 124.01 1wif h ASP 120 Ca -0.27 -0.55 -0.61 0.00 0.42 0.00 0.00 57.03 56.01 1wif h ASP 120 Cb 1.33 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 42.28 1wif h ASP 120 CO 1.02 0.64 0.61 -0.55 -2.88 0.00 0.00 179.24 178.08 1wif s SER 121 N -5.79 6.27 0.46 2.28 0.15 -1.26 -5.01 113.70 110.80 1wif s SER 121 Ca -0.13 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 55.97 1wif s SER 121 Cb -0.01 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1wif s SER 121 CO 0.50 -1.36 0.07 -0.83 1.20 0.00 0.00 173.24 172.82 1wif s GLY 122 N 3.21 2.81 0.42 9.45 0.00 -1.26 -5.04 107.32 116.91 1wif s GLY 122 Ca 0.28 -0.84 0.20 0.00 0.00 0.00 0.00 44.72 44.36 1wif s GLY 122 CO 0.16 -2.00 1.83 -0.56 0.00 0.00 0.00 173.10 172.53 1wif h PRO 123 N 1.58 0.00 -6.31 2.90 0.13 -1.99 -3.44 132.00 124.87 1wif h PRO 123 Ca -0.39 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.29 1wif h PRO 123 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wif h PRO 123 CO 0.65 0.30 -0.35 -1.12 -0.23 0.00 0.00 178.00 177.25 1wif s SER 124 N -6.41 6.14 0.25 1.44 0.01 -1.26 -5.00 113.70 108.87 1wif s SER 124 Ca -0.01 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wif s SER 124 Cb 0.12 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1wif s SER 124 CO 0.66 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.79 1wif n SER 125 N -1.59 -3.50 0.00 2.44 2.88 -1.26 -5.06 113.62 107.53 1wif n SER 125 Ca -0.04 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1wif n SER 125 Cb 0.57 -2.11 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42