#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 1.57 0.13 1.61 1.04 -1.26 -5.18 113.70 111.61 1wif s SER 2 Ca 0.00 -1.67 -0.16 0.00 0.48 0.00 0.00 55.95 54.60 1wif s SER 2 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1wif s SER 2 CO 0.00 -0.99 0.41 -0.55 0.98 0.00 0.00 173.24 173.09 1wif s SER 3 N -3.37 -0.25 0.20 7.02 0.15 -1.26 -5.18 113.70 111.01 1wif s SER 3 Ca 0.38 -0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.49 1wif s SER 3 Cb 0.03 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.90 1wif s SER 3 CO 0.22 -0.87 1.00 -0.83 1.20 0.00 0.00 173.24 173.97 1wif s GLY 4 N -2.81 0.09 -0.04 9.45 0.00 -1.26 -5.18 107.32 107.58 1wif s GLY 4 Ca 0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1wif s GLY 4 CO -0.12 1.82 0.25 -0.45 0.00 0.00 0.00 173.10 174.60 1wif s SER 5 N -3.31 -0.15 -0.31 1.64 0.15 -1.26 -5.14 113.70 105.32 1wif s SER 5 Ca 0.20 0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.88 1wif s SER 5 Cb -0.03 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1wif s SER 5 CO 0.05 -0.32 0.19 -0.94 1.20 0.00 0.00 173.24 173.42 1wif s SER 6 N -0.90 5.84 0.00 5.45 1.04 -1.26 -4.96 113.70 118.91 1wif s SER 6 Ca -0.10 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1wif s SER 6 Cb -0.05 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1wif s SER 6 CO 0.02 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wif n GLY 7 N 5.04 0.91 5.14 7.32 0.00 -1.26 -4.87 105.19 117.47 1wif n GLY 7 Ca -0.14 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.24 1wif n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wif n SER 8 N -0.41 -1.93 0.00 1.61 3.41 -1.19 -4.63 113.62 110.48 1wif n SER 8 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1wif n SER 8 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wif n LYS 9 N -0.86 1.14 -3.43 4.33 4.81 -1.26 -4.99 118.16 117.90 1wif n LYS 9 Ca 0.00 -0.89 -0.07 0.00 -0.87 0.00 0.00 58.31 56.48 1wif n LYS 9 Cb 0.05 -0.81 0.02 0.00 0.02 0.00 0.00 35.03 34.32 1wif n LYS 9 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wif n ASN 10 N -0.22 -1.93 0.00 3.14 5.15 -1.26 -5.14 115.26 115.00 1wif n ASN 10 Ca 0.00 -2.29 0.00 0.00 -0.60 0.00 0.00 54.58 51.69 1wif n ASN 10 Cb 0.27 3.20 0.00 0.00 -0.53 0.00 0.00 39.78 42.72 1wif n ASN 10 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1wif n GLU 11 N -0.49 0.00 -4.56 1.20 0.28 -1.26 -4.82 120.64 110.99 1wif n GLU 11 Ca -0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.64 1wif n GLU 11 Cb 0.51 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.30 1wif n GLU 11 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1wif s LYS 12 N 0.00 2.10 0.36 3.44 -2.85 -1.26 -5.07 119.74 116.46 1wif s LYS 12 Ca 0.00 -2.18 0.00 0.00 -1.00 0.00 0.00 55.97 52.79 1wif s LYS 12 Cb 0.00 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 1wif s LYS 12 CO 0.00 -0.21 0.00 -0.85 0.10 0.00 0.00 175.35 174.39 1wif n GLU 13 N -1.16 0.00 -1.71 1.78 0.28 -1.26 -4.96 120.64 113.60 1wif n GLU 13 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1wif n GLU 13 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1wif n GLN 14 N -0.31 -4.81 -3.90 3.44 -0.06 -1.26 -4.70 117.38 105.78 1wif n GLN 14 Ca 0.00 3.62 -0.08 0.00 -2.00 0.00 0.00 57.00 58.54 1wif n GLN 14 Cb 0.00 -4.19 -0.02 0.00 -4.06 0.00 0.00 30.24 21.97 1wif n GLN 14 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1wif s LEU 15 N -4.10 0.03 0.00 1.69 1.02 -1.26 -3.16 118.68 112.90 1wif s LEU 15 Ca 0.00 -0.88 -0.11 0.00 0.02 0.00 0.00 54.13 53.16 1wif s LEU 15 Cb 0.00 2.44 0.17 0.00 0.02 0.00 0.00 46.19 48.82 1wif s LEU 15 CO 0.00 -1.38 0.54 -1.54 0.02 0.00 0.00 176.35 173.99 1wif n SER 16 N -0.74 -1.97 -4.91 2.29 3.41 -1.26 -4.80 113.62 105.64 1wif n SER 16 Ca -0.04 -0.74 -0.28 0.00 -0.26 0.00 0.00 58.87 57.55 1wif n SER 16 Cb 0.60 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1wif n SER 16 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1wif s LYS 17 N -4.23 3.58 -0.29 4.33 2.47 -1.26 -5.02 119.74 119.32 1wif s LYS 17 Ca 0.36 -0.11 0.08 0.00 -1.56 0.00 0.00 55.97 54.74 1wif s LYS 17 Cb -0.04 -2.68 0.46 0.00 -1.46 0.00 0.00 37.83 34.11 1wif s LYS 17 CO 0.28 0.23 1.18 0.00 0.16 0.00 0.00 175.35 177.21 1wif n ALA 18 N -1.03 4.78 -1.65 3.13 0.00 -1.26 -5.07 120.51 119.42 1wif n ALA 18 Ca -0.03 -3.72 -0.29 0.00 0.00 0.00 0.00 53.44 49.41 1wif n ALA 18 Cb 0.54 -0.39 0.13 0.00 0.00 0.00 0.00 19.45 19.74 1wif n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wif s LYS 19 N -3.61 1.16 0.62 0.00 2.36 -1.26 -4.98 119.74 114.04 1wif s LYS 19 Ca 0.48 0.15 -0.17 0.00 -2.55 0.00 0.00 55.97 53.88 1wif s LYS 19 Cb 0.40 -1.85 -0.11 0.00 -1.05 0.00 0.00 37.83 35.22 1wif s LYS 19 CO 0.02 -2.15 0.14 0.00 1.55 0.00 0.00 175.35 174.90 1wif n ALA 20 N -3.71 -2.43 -1.87 3.13 0.00 -1.26 -4.89 120.51 109.48 1wif n ALA 20 Ca 0.08 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1wif n ALA 20 Cb 0.60 -1.60 0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 1.39 6.35 -4.78 0.00 2.88 -1.26 -5.04 113.62 113.17 1wif n SER 21 Ca 0.08 -3.78 -0.34 0.00 -1.33 0.00 0.00 58.87 53.51 1wif n SER 21 Cb 0.49 -0.73 0.02 0.00 -0.75 0.00 0.00 64.21 63.24 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 3.33 0.00 2.46 0.11 -1.26 -4.99 120.40 115.09 1wif s VAL 22 Ca 0.55 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 1wif s VAL 22 Cb 0.45 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1wif s VAL 22 CO -0.12 -0.29 0.00 -1.20 -3.33 0.00 0.00 175.10 170.15 1wif n SER 23 N -1.84 0.00 -1.40 3.54 7.64 -1.26 -5.05 113.62 115.25 1wif n SER 23 Ca 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wif n SER 23 Cb 0.52 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 24 N 0.00 -0.14 -4.38 6.43 2.88 -1.26 -5.15 113.62 112.01 1wif n SER 24 Ca 0.00 -0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 56.18 1wif n SER 24 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1wif n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wif n LEU 25 N -0.12 -1.41 -4.00 2.46 -0.00 -1.26 -4.96 117.00 107.71 1wif n LEU 25 Ca -0.02 0.87 -0.31 0.00 -0.00 0.00 0.00 56.01 56.55 1wif n LEU 25 Cb 0.49 -1.00 -0.15 0.00 -0.00 0.00 0.00 43.42 42.76 1wif n LEU 25 CO -0.02 -3.51 -0.44 0.54 -0.00 0.00 0.00 177.39 173.97 1wif s ASN 26 N -0.98 4.13 -0.03 1.45 4.22 -1.26 -4.92 114.94 117.54 1wif s ASN 26 Ca 0.62 -1.30 -0.17 0.00 -2.14 0.00 0.00 52.86 49.86 1wif s ASN 26 Cb -0.64 -1.34 -0.05 0.00 1.28 0.00 0.00 41.25 40.50 1wif s ASN 26 CO 0.60 -0.22 0.48 -0.75 -2.04 0.00 0.00 177.10 175.17 1wif s LYS 27 N 1.26 4.17 -0.24 3.55 2.36 -1.26 -5.01 119.74 124.57 1wif s LYS 27 Ca -0.07 0.52 -0.14 0.00 -2.55 0.00 0.00 55.97 53.74 1wif s LYS 27 Cb -0.19 -3.31 -0.04 0.00 -1.05 0.00 0.00 37.83 33.23 1wif s LYS 27 CO -0.06 0.45 0.33 0.08 1.55 0.00 0.00 175.35 177.71 1wif s VAL 28 N -0.38 5.23 0.00 4.02 1.01 -1.26 -2.58 120.40 126.45 1wif s VAL 28 Ca 0.26 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 1wif s VAL 28 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1wif s VAL 28 CO 0.14 0.23 0.27 -0.63 0.00 0.00 0.00 175.10 175.11 1wif s ILE 29 N 1.59 5.30 -0.27 2.22 -1.09 -0.05 -4.98 121.20 123.91 1wif s ILE 29 Ca 0.14 0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.67 1wif s ILE 29 Cb -0.15 -3.57 0.12 0.00 -1.58 0.00 0.00 42.46 37.28 1wif s ILE 29 CO 0.08 0.38 0.58 0.00 -1.23 0.00 0.00 174.94 174.76 1wif s GLN 30 N -1.71 0.51 0.04 2.79 0.00 -1.26 -0.96 119.66 119.08 1wif s GLN 30 Ca 0.27 1.32 -0.06 0.00 -0.00 0.00 0.00 55.36 56.88 1wif s GLN 30 Cb -0.13 0.68 -0.01 0.00 0.00 0.00 0.00 33.01 33.55 1wif s GLN 30 CO 0.15 -0.21 0.12 -0.08 0.00 0.00 0.00 175.29 175.27 1wif s THR 31 N 2.75 0.13 -0.31 3.63 -1.32 -1.15 -4.97 115.64 114.41 1wif s THR 31 Ca -0.05 -1.06 -0.13 0.00 -1.21 0.00 0.00 61.69 59.24 1wif s THR 31 Cb -0.12 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1wif s THR 31 CO -0.17 -0.59 0.25 -0.54 -2.21 0.00 0.00 174.62 171.36 1wif s LYS 32 N -2.68 3.76 0.40 7.08 3.01 -1.26 -2.47 119.74 127.59 1wif s LYS 32 Ca -0.04 -0.40 0.01 0.00 -1.01 0.00 0.00 55.97 54.53 1wif s LYS 32 Cb -0.01 -3.73 -0.01 0.00 -1.01 0.00 0.00 37.83 33.07 1wif s LYS 32 CO -0.05 -0.32 0.61 -0.51 0.51 0.00 0.00 175.35 175.59 1wif s LEU 33 N 1.82 3.80 -0.53 3.17 1.43 -1.24 -4.95 118.68 122.18 1wif s LEU 33 Ca 0.08 0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1wif s LEU 33 Cb -0.16 -3.17 0.14 0.00 0.03 0.00 0.00 46.19 43.02 1wif s LEU 33 CO 0.11 -0.54 0.39 -0.89 0.23 0.00 0.00 176.35 175.65 1wif s THR 34 N -2.44 4.16 0.10 5.49 2.01 -1.26 -4.19 115.64 119.51 1wif s THR 34 Ca 0.45 -2.09 -0.36 0.00 0.31 0.00 0.00 61.69 60.00 1wif s THR 34 Cb -0.10 -3.72 -0.16 0.00 0.01 0.00 0.00 72.50 68.53 1wif s THR 34 CO 0.37 -0.81 1.45 0.52 -0.69 0.00 0.00 174.62 175.46 1wif n VAL 35 N 4.53 0.02 -1.87 3.82 0.31 -1.24 -4.54 118.33 119.35 1wif n VAL 35 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1wif n VAL 35 Cb 0.41 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 2.94 1.71 0.13 2.92 0.00 -1.26 -1.64 105.19 109.99 1wif n GLY 36 Ca 0.18 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 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 0.35 0.11 1.61 -1.24 -1.95 -3.16 115.58 111.30 1wif h ASN 37 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.71 1wif h ASN 37 Cb 0.00 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.94 1wif h ASN 37 CO 0.00 1.12 -0.21 0.18 -1.29 0.00 0.00 177.43 177.23 1wif n LEU 38 N -3.66 1.49 -1.72 0.34 4.77 -1.26 -5.01 117.00 111.95 1wif n LEU 38 Ca -0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1wif n LEU 38 Cb 0.85 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1wif n LEU 38 CO 0.50 0.27 -0.50 0.61 -1.33 0.00 0.00 177.39 176.93 1wif n GLY 39 N 1.31 -4.71 3.50 -0.72 0.00 -1.19 -4.51 105.19 98.87 1wif n GLY 39 Ca 0.14 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.09 0.95 -1.25 0.99 -0.00 -1.26 -4.75 117.00 110.60 1wif n LEU 40 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1wif n LEU 40 Cb 0.06 -1.12 0.17 0.00 -0.00 0.00 0.00 43.42 42.53 1wif n LEU 40 CO 0.00 -0.95 0.61 0.61 -0.00 0.00 0.00 177.39 177.66 1wif n GLY 41 N 6.42 2.40 1.45 1.47 0.00 -1.26 -4.98 105.19 110.69 1wif n GLY 41 Ca 0.56 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 0.05 -3.86 0.99 -0.00 -1.26 -4.54 117.00 108.55 1wif n LEU 42 Ca 0.16 0.48 -0.42 0.00 -0.00 0.00 0.00 56.01 56.23 1wif n LEU 42 Cb 0.77 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1wif n LEU 42 CO 0.18 -0.74 2.31 0.52 -0.00 0.00 0.00 177.39 179.66 1wif n VAL 43 N 0.73 3.87 -2.93 1.47 0.31 0.45 -4.89 118.33 117.34 1wif n VAL 43 Ca 0.09 -3.69 -0.34 0.00 -0.01 0.00 0.00 64.34 60.38 1wif n VAL 43 Cb 0.03 -2.49 -0.07 0.00 -0.91 0.00 0.00 33.84 30.40 1wif n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wif s VAL 44 N 2.06 4.44 0.32 2.52 0.11 -1.26 -1.93 120.40 126.66 1wif s VAL 44 Ca 0.44 1.41 0.09 0.00 -2.93 0.00 0.00 61.98 60.99 1wif s VAL 44 Cb 0.11 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1wif s VAL 44 CO -0.04 -0.10 0.04 0.27 -3.33 0.00 0.00 175.10 171.93 1wif s ILE 45 N -1.91 2.91 -0.95 7.04 -4.36 -1.18 -4.84 121.20 117.90 1wif s ILE 45 Ca 0.55 -1.90 -0.19 0.00 -0.26 0.00 0.00 60.65 58.84 1wif s ILE 45 Cb -0.13 -2.84 0.12 0.00 1.25 0.00 0.00 42.46 40.86 1wif s ILE 45 CO 0.18 -0.24 1.19 -1.58 0.24 0.00 0.00 174.94 174.73 1wif s GLN 46 N -3.73 3.61 -0.20 0.37 -0.44 -1.26 -3.95 119.66 114.05 1wif s GLN 46 Ca 0.35 -1.66 0.00 0.00 -2.50 0.00 0.00 55.36 51.55 1wif s GLN 46 Cb -0.02 -5.00 0.02 0.00 -1.64 0.00 0.00 33.01 26.37 1wif s GLN 46 CO 0.20 -1.85 -0.16 1.21 0.50 0.00 0.00 175.29 175.19 1wif s ASN 47 N 3.87 3.53 0.95 6.67 2.47 -1.25 -5.06 114.94 126.12 1wif s ASN 47 Ca 0.35 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 52.90 1wif s ASN 47 Cb -0.04 -1.54 0.00 0.00 -1.45 0.00 0.00 41.25 38.23 1wif s ASN 47 CO -0.09 -0.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.86 1wif n GLY 48 N 4.62 -1.00 0.00 1.21 0.00 -1.26 -3.23 105.19 105.53 1wif n GLY 48 Ca -0.19 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.18 0.49 -1.57 1.61 -0.04 -1.26 -4.74 135.00 127.31 1wif n PRO 49 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wif n PRO 49 Cb 0.05 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1wif n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wif n TYR 50 N -0.85 0.00 -3.80 0.54 4.01 -1.20 -4.20 117.16 111.66 1wif n TYR 50 Ca 0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.57 1wif n TYR 50 Cb 0.04 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.90 1wif n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wif s LEU 51 N 0.00 1.01 -0.21 7.72 1.43 -1.26 -3.91 118.68 123.47 1wif s LEU 51 Ca 0.00 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1wif s LEU 51 Cb 0.00 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1wif s LEU 51 CO 0.00 -0.22 0.09 -1.10 0.23 0.00 0.00 176.35 175.35 1wif s GLN 52 N 1.85 3.94 -0.72 1.70 -0.21 -1.25 -3.38 119.66 121.59 1wif s GLN 52 Ca 0.02 -0.35 -0.26 0.00 0.02 0.00 0.00 55.36 54.80 1wif s GLN 52 Cb -0.14 -3.32 -0.09 0.00 1.00 0.00 0.00 33.01 30.46 1wif s GLN 52 CO -0.07 0.13 2.24 0.42 -2.12 0.00 0.00 175.29 175.90 1wif s ILE 53 N 0.78 3.15 0.33 1.08 1.01 -1.14 -3.13 121.20 123.27 1wif s ILE 53 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1wif s ILE 53 Cb -0.13 -3.35 0.15 0.00 0.01 0.00 0.00 42.46 39.14 1wif s ILE 53 CO 0.02 -0.33 1.86 -1.28 0.00 0.00 0.00 174.94 175.21 1wif h SER 54 N 14.42 0.53 -4.44 3.58 0.87 -1.80 0.32 113.55 127.02 1wif h SER 54 Ca -0.07 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1wif h SER 54 Cb 1.09 -0.14 -0.20 0.00 -0.44 0.00 0.00 62.40 62.71 1wif h SER 54 CO 1.12 0.60 0.44 -2.28 -0.53 0.00 0.00 176.83 176.18 1wif s HIS 55 N -4.97 -0.44 -0.11 2.24 5.65 -0.81 -4.83 115.29 112.02 1wif s HIS 55 Ca -0.08 0.68 -0.01 0.00 0.25 0.00 0.00 55.06 55.89 1wif s HIS 55 Cb 0.15 0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 31.98 1wif s HIS 55 CO 0.77 -0.45 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.85 1wif s LEU 56 N -1.40 3.25 -0.49 8.88 1.43 -1.26 0.17 118.68 129.25 1wif s LEU 56 Ca -0.03 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 1wif s LEU 56 Cb -0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1wif s LEU 56 CO 0.01 0.29 2.02 -0.63 0.23 0.00 0.00 176.35 178.28 1wif s ILE 57 N -0.34 3.26 0.23 -0.59 1.09 -1.26 -4.78 121.20 118.80 1wif s ILE 57 Ca 0.05 0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.76 1wif s ILE 57 Cb -0.12 -3.56 0.35 0.00 -1.06 0.00 0.00 42.46 38.07 1wif s ILE 57 CO 0.02 -0.50 1.23 -3.20 -0.10 0.00 0.00 174.94 172.40 1wif n ASN 58 N 13.06 -0.21 -2.23 3.58 5.15 -1.26 0.14 115.26 133.50 1wif n ASN 58 Ca 0.26 1.35 -0.21 0.00 -0.60 0.00 0.00 54.58 55.38 1wif n ASN 58 Cb 0.51 -0.44 -0.05 0.00 -0.53 0.00 0.00 39.78 39.27 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 -5.22 2.14 0.00 1.20 5.02 -1.26 -4.44 118.16 115.60 1wif n LYS 59 Ca 0.15 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 1wif n LYS 59 Cb 0.48 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 1.09 5.99 0.11 0.72 0.00 0.38 -4.90 105.19 108.58 1wif n GLY 60 Ca 0.42 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 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 0.87 -0.10 4.61 0.00 -1.26 -3.89 120.51 117.73 1wif n ALA 61 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1wif n ALA 61 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.82 0.43 -0.27 0.00 0.00 -1.91 -1.52 119.26 115.17 1wif h ALA 62 Ca -0.34 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1wif h ALA 62 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1wif h ALA 62 CO -0.21 -0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.02 1wif h ALA 63 N 1.19 2.04 -0.05 0.00 0.00 -1.79 0.20 119.26 120.85 1wif h ALA 63 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wif h ALA 63 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wif h ALA 63 CO -0.11 -0.09 0.00 0.43 0.00 0.00 0.00 179.25 179.47 1wif n SER 64 N -4.49 0.93 -4.37 0.00 7.64 -0.62 -4.74 113.62 107.97 1wif n SER 64 Ca 0.03 -1.42 -0.37 0.00 1.01 0.00 0.00 58.87 58.12 1wif n SER 64 Cb 0.22 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.82 5.05 -0.03 6.43 -1.08 0.69 -4.98 116.67 120.93 1wif s ASP 65 Ca 0.37 -0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1wif s ASP 65 Cb 0.19 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 1wif s ASP 65 CO 0.30 -0.13 2.09 0.61 0.52 0.00 0.00 175.17 178.56 1wif n GLY 66 N 4.88 2.66 1.27 2.66 0.00 -1.26 -3.65 105.19 111.74 1wif n GLY 66 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 1.46 0.00 -2.96 -0.61 2.08 -1.26 -5.04 119.36 113.03 1wif n ILE 67 Ca 0.05 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.95 1wif n ILE 67 Cb 0.53 -0.96 -0.05 0.00 -0.75 0.00 0.00 39.64 38.41 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wif s LEU 68 N -5.38 4.14 0.11 1.39 1.43 -1.24 -4.99 118.68 114.14 1wif s LEU 68 Ca 0.00 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1wif s LEU 68 Cb 0.00 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1wif s LEU 68 CO 0.00 -0.39 0.12 -1.10 0.23 0.00 0.00 176.35 175.21 1wif s GLN 69 N 2.24 2.95 -1.09 1.70 -0.21 -1.26 -4.87 119.66 119.12 1wif s GLN 69 Ca 0.35 -0.73 -0.23 0.00 0.02 0.00 0.00 55.36 54.76 1wif s GLN 69 Cb -0.16 -2.73 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 1wif s GLN 69 CO 0.11 0.54 1.94 -1.25 -2.12 0.00 0.00 175.29 174.50 1wif s PRO 70 N -2.69 2.51 0.00 2.91 0.04 -1.26 -3.48 135.00 133.04 1wif s PRO 70 Ca 0.30 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1wif s PRO 70 Cb -0.11 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wif s PRO 70 CO 0.23 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 173.90 1wif n GLY 71 N 6.17 0.00 3.59 0.56 0.00 0.11 -4.66 105.19 110.97 1wif n GLY 71 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 4.34 -0.49 1.61 1.47 -1.23 -4.81 116.67 117.56 1wif s ASP 72 Ca 0.00 -0.58 -0.14 0.00 1.18 0.00 0.00 52.55 53.00 1wif s ASP 72 Cb 0.00 -0.76 0.10 0.00 -0.34 0.00 0.00 42.92 41.92 1wif s ASP 72 CO 0.00 0.08 0.42 -0.69 0.68 0.00 0.00 175.17 175.66 1wif s VAL 73 N -1.84 5.01 0.71 2.11 1.01 -0.92 -2.88 120.40 123.61 1wif s VAL 73 Ca 0.26 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1wif s VAL 73 Cb -0.08 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1wif s VAL 73 CO 0.16 -0.70 1.25 0.18 0.00 0.00 0.00 175.10 176.00 1wif n LEU 74 N 5.16 5.42 -0.15 3.92 4.77 -1.22 -1.35 117.00 133.55 1wif n LEU 74 Ca -0.12 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1wif n LEU 74 Cb 0.42 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1wif n LEU 74 CO 0.48 -1.27 0.25 -0.38 -1.33 0.00 0.00 177.39 175.15 1wif n ILE 75 N -2.43 0.01 0.00 -0.08 -0.00 0.79 -4.31 119.36 113.34 1wif n ILE 75 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.89 1wif n ILE 75 Cb 0.49 0.84 0.00 0.00 -0.00 0.00 0.00 39.64 40.97 1wif n ILE 75 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1wif n SER 76 N -0.01 0.00 -4.51 4.38 7.64 -1.26 -4.22 113.62 115.65 1wif n SER 76 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1wif n SER 76 Cb 0.56 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1wif n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wif s VAL 77 N 0.00 4.39 0.00 0.44 1.01 -1.11 -3.98 120.40 121.14 1wif s VAL 77 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1wif s VAL 77 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1wif s VAL 77 CO 0.00 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.56 1wif n GLY 78 N 5.14 0.62 2.58 4.51 0.00 -1.25 -3.59 105.19 113.20 1wif n GLY 78 Ca 0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.46 -0.05 -3.96 1.61 -0.00 -1.26 -4.92 115.22 105.19 1wif n HIS 79 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 1wif n HIS 79 Cb 0.48 -3.14 -0.15 0.00 -0.12 0.00 0.00 29.99 27.06 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 -2.43 2.91 -0.89 1.57 0.00 -1.24 -5.05 121.76 116.65 1wif s ALA 80 Ca 0.00 -2.76 -0.22 0.00 0.00 0.00 0.00 51.96 48.98 1wif s ALA 80 Cb 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 23.12 20.88 1wif s ALA 80 CO 0.00 -1.83 2.43 -1.71 0.00 0.00 0.00 175.76 174.65 1wif n ASN 81 N 3.82 0.25 -0.94 0.00 2.85 -1.26 -2.76 115.26 117.23 1wif n ASN 81 Ca 0.04 -0.42 0.06 0.00 -0.11 0.00 0.00 54.58 54.15 1wif n ASN 81 Cb 0.38 -1.01 0.20 0.00 1.24 0.00 0.00 39.78 40.59 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 7.11 0.89 -0.25 3.44 0.24 -1.26 -4.50 118.33 124.01 1wif n VAL 82 Ca 0.59 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 1wif n VAL 82 Cb 0.21 0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 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 2.37 -1.81 -3.52 1.34 6.46 -1.78 0.12 115.31 118.49 1wif h LEU 83 Ca 0.00 0.27 -0.20 0.00 -0.12 0.00 0.00 57.88 57.84 1wif h LEU 83 Cb 0.82 0.79 -0.12 0.00 -0.73 0.00 0.00 40.66 41.42 1wif h LEU 83 CO 0.09 -0.33 0.25 0.61 -0.62 0.00 0.00 178.44 178.44 1wif n GLY 84 N -1.36 3.44 3.80 3.75 0.00 -1.26 -4.20 105.19 109.37 1wif n GLY 84 Ca 0.00 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.76 3.73 0.37 1.61 1.51 0.41 -4.98 117.35 117.25 1wif s TYR 85 Ca 0.50 1.45 0.07 0.00 -1.01 0.00 0.00 57.07 58.08 1wif s TYR 85 Cb 0.40 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1wif s TYR 85 CO 0.13 0.40 0.44 0.95 -1.11 0.00 0.00 175.55 176.36 1wif s THR 86 N -1.39 3.38 0.43 -0.71 -4.23 -1.26 -4.45 115.64 107.41 1wif s THR 86 Ca 0.40 -1.14 0.18 0.00 -1.18 0.00 0.00 61.69 59.95 1wif s THR 86 Cb -0.19 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.67 1wif s THR 86 CO 0.22 -0.09 1.51 0.25 -0.54 0.00 0.00 174.62 175.98 1wif h LEU 87 N 0.92 0.00 0.00 4.79 6.46 -1.91 0.37 115.31 125.94 1wif h LEU 87 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1wif h LEU 87 Cb 1.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1wif h LEU 87 CO 0.53 0.00 -0.09 0.03 -0.62 0.00 0.00 178.44 178.28 1wif h ARG 88 N 0.00 0.00 0.00 1.25 2.47 -1.98 -2.88 114.38 113.24 1wif h ARG 88 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wif h ARG 88 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1wif h ARG 88 CO 0.00 0.00 0.00 0.93 0.56 0.00 0.00 179.97 181.46 1wif h GLU 89 N -0.38 0.00 0.00 0.04 5.08 -1.79 0.49 114.58 118.02 1wif h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wif h GLU 89 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1wif h GLU 89 CO 0.00 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.35 1wif h PHE 90 N 0.00 0.00 -0.75 4.33 3.57 -0.45 -2.73 116.94 120.91 1wif h PHE 90 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1wif h PHE 90 Cb 0.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1wif h PHE 90 CO 0.00 0.00 0.49 -0.07 -2.23 0.00 0.00 178.31 176.50 1wif h LEU 91 N -0.72 0.81 -1.16 0.59 -0.00 -1.38 -0.75 115.31 112.70 1wif h LEU 91 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.78 1wif h LEU 91 Cb 0.01 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1wif h LEU 91 CO 0.00 0.57 -0.40 0.07 -0.00 0.00 0.00 178.44 178.68 1wif h LYS 92 N 0.94 0.00 0.19 1.13 5.09 -1.05 -2.48 116.57 120.39 1wif h LYS 92 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.02 1wif h LYS 92 Cb -0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1wif h LYS 92 CO -0.08 0.40 -0.09 1.25 -2.09 0.00 0.00 179.45 178.84 1wif h LEU 93 N 0.00 -0.22 -1.96 7.07 5.85 -0.86 -3.29 115.31 121.91 1wif h LEU 93 Ca -0.00 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.81 1wif h LEU 93 Cb 0.77 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1wif h LEU 93 CO 0.05 0.29 0.52 -0.07 -0.34 0.00 0.00 178.44 178.89 1wif h LEU 94 N -1.04 0.04 0.00 2.25 3.38 -1.30 0.37 115.31 119.01 1wif h LEU 94 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wif h LEU 94 Cb 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wif h LEU 94 CO 0.04 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1wif n GLN 95 N -4.34 0.01 0.00 1.13 6.02 -0.93 -0.10 117.38 119.16 1wif n GLN 95 Ca 0.14 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1wif n GLN 95 Cb 0.77 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.66 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wif n ASN 96 N -1.41 2.44 -4.75 1.08 5.03 0.13 -4.95 115.26 112.84 1wif n ASN 96 Ca 0.01 -1.74 -0.41 0.00 0.87 0.00 0.00 54.58 53.31 1wif n ASN 96 Cb 0.02 0.15 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wif s ILE 97 N -2.17 3.63 0.42 2.41 -1.09 0.85 -5.04 121.20 120.21 1wif s ILE 97 Ca 0.26 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.22 1wif s ILE 97 Cb 0.19 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1wif s ILE 97 CO 0.40 0.32 0.63 -0.89 -1.23 0.00 0.00 174.94 174.17 1wif s THR 98 N -0.75 4.21 0.39 2.92 2.01 -1.26 -4.99 115.64 118.17 1wif s THR 98 Ca 0.47 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 1wif s THR 98 Cb -0.31 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 1wif s THR 98 CO 0.38 -0.37 1.30 -0.63 -0.69 0.00 0.00 174.62 174.62 1wif s ILE 99 N -2.48 2.64 -0.89 1.82 1.01 -1.26 -3.57 121.20 118.46 1wif s ILE 99 Ca 0.47 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.69 1wif s ILE 99 Cb -0.10 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1wif s ILE 99 CO 0.37 0.09 0.75 0.61 0.00 0.00 0.00 174.94 176.77 1wif n GLY 100 N 0.68 -0.31 3.24 6.18 0.00 -0.65 -5.00 105.19 109.33 1wif n GLY 100 Ca 0.03 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.28 2.33 -0.49 2.61 2.01 -1.23 -4.94 115.64 112.63 1wif s THR 101 Ca 0.10 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 1wif s THR 101 Cb -0.01 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.61 1wif s THR 101 CO 0.56 0.55 0.70 -0.69 -0.69 0.00 0.00 174.62 175.05 1wif s VAL 102 N 0.50 4.75 0.15 3.82 1.01 -1.26 -3.68 120.40 125.68 1wif s VAL 102 Ca -0.13 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1wif s VAL 102 Cb -0.17 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1wif s VAL 102 CO 0.05 -0.81 -0.19 -0.76 0.00 0.00 0.00 175.10 173.39 1wif s LEU 103 N 2.99 2.63 -0.51 3.92 2.01 -1.26 -5.03 118.68 123.43 1wif s LEU 103 Ca 0.21 -0.66 -0.16 0.00 0.01 0.00 0.00 54.13 53.54 1wif s LEU 103 Cb -0.16 -1.44 0.11 0.00 0.01 0.00 0.00 46.19 44.71 1wif s LEU 103 CO 0.16 0.15 0.45 -1.58 1.01 0.00 0.00 176.35 176.55 1wif s GLN 104 N -2.36 2.97 -0.58 1.70 0.74 -1.26 -3.66 119.66 117.20 1wif s GLN 104 Ca 0.19 -1.58 -0.22 0.00 0.05 0.00 0.00 55.36 53.81 1wif s GLN 104 Cb -0.10 -4.22 0.06 0.00 1.10 0.00 0.00 33.01 29.86 1wif s GLN 104 CO 0.10 -1.21 0.83 0.42 -0.55 0.00 0.00 175.29 174.89 1wif s ILE 105 N 1.61 4.55 -0.40 -2.34 -1.09 -1.03 -3.87 121.20 118.62 1wif s ILE 105 Ca 0.03 -0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.02 1wif s ILE 105 Cb -0.28 -4.52 0.02 0.00 -1.58 0.00 0.00 42.46 36.11 1wif s ILE 105 CO 0.04 -1.15 0.27 -0.75 -1.23 0.00 0.00 174.94 172.13 1wif s LYS 106 N 3.47 2.95 0.11 2.79 2.20 -1.26 -2.91 119.74 127.09 1wif s LYS 106 Ca 0.21 -1.02 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1wif s LYS 106 Cb -0.17 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1wif s LYS 106 CO 0.13 -0.72 -0.14 0.00 -0.36 0.00 0.00 175.35 174.25 1wif s ALA 107 N 1.64 1.41 0.14 3.13 0.00 -0.13 -0.15 121.76 127.81 1wif s ALA 107 Ca 0.04 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.60 1wif s ALA 107 Cb -0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1wif s ALA 107 CO 0.09 0.10 0.58 0.71 0.00 0.00 0.00 175.76 177.25 1wif s TYR 108 N -2.01 3.66 -0.34 0.00 2.02 -0.46 -0.88 117.35 119.35 1wif s TYR 108 Ca 0.07 1.16 0.07 0.00 -0.37 0.00 0.00 57.07 58.00 1wif s TYR 108 Cb -0.06 -2.44 0.47 0.00 -0.40 0.00 0.00 41.96 39.54 1wif s TYR 108 CO 0.03 0.45 1.42 -2.13 -1.57 0.00 0.00 175.55 173.75 1wif n ARG 109 N 0.98 2.56 0.00 -0.62 0.63 -1.06 -2.15 116.66 117.00 1wif n ARG 109 Ca -0.06 -3.57 0.00 0.00 -0.92 0.00 0.00 57.85 53.30 1wif n ARG 109 Cb 0.51 -2.03 0.00 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.95 0.00 0.77 5.14 0.00 -1.26 -4.76 105.19 104.13 1wif n GLY 110 Ca 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.00 -1.26 -4.79 117.46 109.38 1wif n PHE 111 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 1wif n PHE 111 Cb 0.00 -0.15 -0.11 0.00 -0.00 0.00 0.00 39.48 39.21 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 -7.22 3.86 0.47 -2.13 2.96 -1.26 -5.07 118.68 110.28 1wif s LEU 112 Ca -0.09 -0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.52 1wif s LEU 112 Cb 0.01 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 1wif s LEU 112 CO 0.13 -0.05 1.31 -1.61 -1.32 0.00 0.00 176.35 174.81 1wif s GLU 113 N 1.72 3.60 0.00 1.98 8.01 -1.26 -4.96 118.70 127.79 1wif s GLU 113 Ca 0.07 2.14 -0.24 0.00 0.01 0.00 0.00 54.97 56.95 1wif s GLU 113 Cb -0.16 -2.50 -0.05 0.00 -4.31 0.00 0.00 34.13 27.12 1wif s GLU 113 CO 0.09 -0.79 0.71 0.42 0.01 0.00 0.00 175.26 175.71 1wif s ILE 114 N -1.33 4.86 -0.51 -1.63 1.01 -1.26 -5.00 121.20 117.34 1wif s ILE 114 Ca 0.64 1.50 -0.27 0.00 0.00 0.00 0.00 60.65 62.52 1wif s ILE 114 Cb -0.38 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1wif s ILE 114 CO 0.46 0.34 1.81 -2.16 0.00 0.00 0.00 174.94 175.39 1wif s PRO 115 N 0.17 2.90 0.15 2.79 0.04 -1.26 -4.89 135.00 134.90 1wif s PRO 115 Ca 0.37 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 1wif s PRO 115 Cb -0.19 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 29.99 1wif s PRO 115 CO 0.20 -2.39 1.42 0.00 0.04 0.00 0.00 177.00 176.27 1wif n GLN 116 N 8.88 -0.40 -0.19 4.56 10.64 -1.26 0.58 117.38 140.19 1wif n GLN 116 Ca 0.21 1.39 0.18 0.00 -1.83 0.00 0.00 57.00 56.95 1wif n GLN 116 Cb 0.50 -2.04 0.32 0.00 -0.86 0.00 0.00 30.24 28.16 1wif n GLN 116 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1wif n GLU 117 N -5.16 -0.03 0.07 2.61 4.71 -1.26 0.32 120.64 121.90 1wif n GLU 117 Ca 0.02 0.70 -0.03 0.00 -0.01 0.00 0.00 57.16 57.83 1wif n GLU 117 Cb 0.24 -1.29 -0.02 0.00 -1.01 0.00 0.00 31.44 29.37 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 -0.20 0.00 -0.32 4.06 -0.25 -3.44 115.95 115.79 1wif h TRP 118 Ca 0.45 -0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.96 1wif h TRP 118 Cb 1.26 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.46 1wif h TRP 118 CO -0.00 -0.13 0.81 1.04 -3.56 0.00 0.00 178.44 176.60 1wif n GLN 119 N -3.68 0.00 0.02 0.49 6.02 0.15 -4.80 117.38 115.58 1wif n GLN 119 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.92 1wif n GLN 119 Cb 0.09 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 1wif n GLN 119 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1wif h ASP 120 N 5.50 -0.48 0.00 1.08 3.58 -1.87 -3.39 116.42 120.84 1wif h ASP 120 Ca -0.06 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1wif h ASP 120 Cb 0.83 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1wif h ASP 120 CO 0.66 -0.16 -1.21 -0.24 -2.88 0.00 0.00 179.24 175.42 1wif n SER 121 N -3.35 1.88 0.00 2.28 2.88 -1.26 -5.10 113.62 110.95 1wif n SER 121 Ca -0.02 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wif n SER 121 Cb 0.12 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 122 N 1.55 -0.23 3.77 0.46 0.00 -1.26 -4.86 105.19 104.61 1wif n GLY 122 Ca -0.20 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1wif n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wif s PRO 123 N 0.00 2.22 0.89 1.61 0.04 -1.26 -5.04 135.00 133.46 1wif s PRO 123 Ca 0.00 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1wif s PRO 123 Cb 0.00 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.77 1wif s PRO 123 CO 0.00 -1.67 1.16 -1.12 0.04 0.00 0.00 177.00 175.41 1wif s SER 124 N -3.39 3.71 -0.02 6.66 0.01 -1.26 -5.09 113.70 114.32 1wif s SER 124 Ca 0.61 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.76 1wif s SER 124 Cb -0.17 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.66 1wif s SER 124 CO 0.56 -2.42 -0.04 -0.94 0.41 0.00 0.00 173.24 170.81 1wif s SER 125 N -4.21 0.66 0.00 2.44 1.04 -1.26 -5.29 113.70 107.09 1wif s SER 125 Ca 0.64 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1wif s SER 125 Cb -0.13 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1wif s SER 125 CO 0.52 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.36