#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wle s TYR 6 N 0.00 3.00 -0.20 2.03 -0.85 -1.26 -4.23 117.35 115.85 2wle s TYR 6 Ca 0.00 -0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.47 2wle s TYR 6 Cb 0.00 -1.50 -0.02 0.00 0.38 0.00 0.00 41.96 40.82 2wle s TYR 6 CO 0.00 0.50 -0.03 0.45 -1.52 0.00 0.00 175.55 174.95 2wle s SER 7 N -2.63 4.54 -0.06 -0.18 0.15 0.34 -5.00 113.70 110.86 2wle s SER 7 Ca 0.28 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.66 2wle s SER 7 Cb -0.11 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2wle s SER 7 CO 0.20 0.05 -0.09 -0.70 1.20 0.00 0.00 173.24 173.90 2wle s GLU 8 N 1.05 1.30 -0.04 5.44 -6.30 -1.26 -0.71 118.70 118.18 2wle s GLU 8 Ca 0.01 -0.27 0.01 0.00 -2.50 0.00 0.00 54.97 52.21 2wle s GLU 8 Cb -0.15 -1.15 0.02 0.00 0.00 0.00 0.00 34.13 32.86 2wle s GLU 8 CO 0.01 -0.02 -0.02 -1.14 0.02 0.00 0.00 175.26 174.10 2wle s GLN 9 N 0.78 0.61 0.00 4.30 0.74 0.41 -4.99 119.66 121.51 2wle s GLN 9 Ca -0.13 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2wle s GLN 9 Cb -0.15 -0.72 0.00 0.00 1.10 0.00 0.00 33.01 33.24 2wle s GLN 9 CO 0.02 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2wle n GLY 10 N 4.21 0.53 3.03 2.59 0.00 -1.25 -0.88 105.19 113.42 2wle n GLY 10 Ca -0.23 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 2wle n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wle s ILE 11 N -1.33 0.70 -1.65 -0.61 -1.09 -1.06 -4.78 121.20 111.39 2wle s ILE 11 Ca 0.00 -0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 2wle s ILE 11 Cb 0.00 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.28 2wle s ILE 11 CO 0.00 0.12 0.37 0.59 -1.23 0.00 0.00 174.94 174.79 2wle n ASN 12 N 2.66 -6.03 -4.72 3.58 4.13 -1.26 -0.96 115.26 112.66 2wle n ASN 12 Ca -0.15 -0.18 -0.38 0.00 1.68 0.00 0.00 54.58 55.56 2wle n ASN 12 Cb 0.57 -4.93 -0.06 0.00 -1.54 0.00 0.00 39.78 33.81 2wle n ASN 12 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2wle s ASN 13 N -2.45 6.62 -0.08 6.41 0.01 -1.26 -2.44 114.94 121.76 2wle s ASN 13 Ca 0.19 0.74 0.03 0.00 -0.71 0.00 0.00 52.86 53.11 2wle s ASN 13 Cb -0.08 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 2wle s ASN 13 CO 0.23 0.01 -0.17 0.28 -1.51 0.00 0.00 177.10 175.93 2wle s THR 14 N 0.66 2.74 -0.19 1.60 -1.32 0.97 -4.94 115.64 115.16 2wle s THR 14 Ca 0.24 -0.82 -0.02 0.00 -1.21 0.00 0.00 61.69 59.88 2wle s THR 14 Cb -0.15 -2.07 0.06 0.00 -1.51 0.00 0.00 72.50 68.82 2wle s THR 14 CO 0.09 0.56 0.02 -0.63 -2.21 0.00 0.00 174.62 172.46 2wle s ILE 15 N -0.23 0.62 -0.30 5.08 1.01 -1.26 -0.33 121.20 125.80 2wle s ILE 15 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2wle s ILE 15 Cb -0.13 -1.07 0.08 0.00 0.01 0.00 0.00 42.46 41.34 2wle s ILE 15 CO 0.03 -0.15 -0.03 0.20 0.00 0.00 0.00 174.94 174.99 2wle s ASN 16 N 1.82 4.60 -0.26 3.58 0.01 0.12 -4.99 114.94 119.81 2wle s ASN 16 Ca -0.01 -1.76 0.02 0.00 -0.71 0.00 0.00 52.86 50.40 2wle s ASN 16 Cb -0.17 -1.58 0.05 0.00 0.41 0.00 0.00 41.25 39.96 2wle s ASN 16 CO -0.08 -0.28 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.50 2wle s ILE 17 N 1.01 2.28 0.47 0.60 1.01 -1.26 -0.60 121.20 124.70 2wle s ILE 17 Ca 0.01 -1.52 -0.23 0.00 0.00 0.00 0.00 60.65 58.90 2wle s ILE 17 Cb -0.20 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 2wle s ILE 17 CO -0.06 0.02 1.13 -0.24 0.00 0.00 0.00 174.94 175.79 2wle n SER 18 N 4.48 1.79 0.00 3.58 2.88 -0.54 -4.83 113.62 120.98 2wle n SER 18 Ca -0.15 1.01 0.11 0.00 -1.33 0.00 0.00 58.87 58.51 2wle n SER 18 Cb 0.43 -1.44 0.57 0.00 -0.75 0.00 0.00 64.21 63.02 2wle n SER 18 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wle n THR 19 N -0.68 0.25 -0.33 2.46 -2.24 -1.26 -2.20 114.28 110.29 2wle n THR 19 Ca 0.09 0.06 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 2wle n THR 19 Cb 0.41 -0.72 0.28 0.00 -2.10 0.00 0.00 70.33 68.21 2wle n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wle n THR 20 N -1.21 1.01 -4.08 4.28 -2.24 -1.26 -4.93 114.28 105.85 2wle n THR 20 Ca 0.12 -1.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 2wle n THR 20 Cb 0.14 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 2wle n THR 20 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wle s SER 21 N -1.00 5.35 -0.14 3.42 0.01 -0.93 -3.36 113.70 117.04 2wle s SER 21 Ca 0.43 -0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 2wle s SER 21 Cb 0.22 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2wle s SER 21 CO 0.29 0.16 0.08 -0.76 0.41 0.00 0.00 173.24 173.42 2wle s LEU 22 N -2.43 3.96 -0.08 2.44 1.02 0.41 -4.94 118.68 119.06 2wle s LEU 22 Ca 0.28 0.22 0.12 0.00 0.02 0.00 0.00 54.13 54.77 2wle s LEU 22 Cb -0.12 -1.97 0.22 0.00 0.02 0.00 0.00 46.19 44.34 2wle s LEU 22 CO 0.21 0.29 1.11 0.35 0.02 0.00 0.00 176.35 178.33 2wle n THR 23 N 2.76 1.10 -1.64 5.49 -2.24 -1.26 -0.20 114.28 118.29 2wle n THR 23 Ca -0.18 -1.49 -0.62 0.00 -2.27 0.00 0.00 64.05 59.49 2wle n THR 23 Cb 0.53 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 2wle n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wle n ASN 24 N -0.72 0.92 -0.54 3.42 4.13 -1.26 -1.06 115.26 120.15 2wle n ASN 24 Ca 0.10 1.16 -0.07 0.00 1.68 0.00 0.00 54.58 57.45 2wle n ASN 24 Cb 0.72 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.98 2wle n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wle n ALA 25 N 3.09 -0.11 -2.81 5.41 0.00 -1.26 -1.70 120.51 123.13 2wle n ALA 25 Ca 0.25 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 2wle n ALA 25 Cb 0.03 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 2wle n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wle s THR 26 N -2.03 5.44 -0.24 0.00 2.01 -0.23 -3.36 115.64 117.24 2wle s THR 26 Ca 0.00 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.09 2wle s THR 26 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2wle s THR 26 CO 0.00 0.54 0.14 -1.10 -0.69 0.00 0.00 174.62 173.51 2wle s GLN 27 N -0.41 4.00 -0.19 4.92 -1.52 -0.00 -4.87 119.66 121.59 2wle s GLN 27 Ca 0.12 -0.31 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 2wle s GLN 27 Cb -0.12 -3.49 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 2wle s GLN 27 CO 0.01 0.04 -0.14 -1.17 -0.25 0.00 0.00 175.29 173.78 2wle s LEU 28 N 1.11 2.43 -0.13 2.90 2.96 -1.26 -0.68 118.68 126.01 2wle s LEU 28 Ca 0.07 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2wle s LEU 28 Cb -0.14 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2wle s LEU 28 CO 0.05 0.02 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.01 2wle s THR 29 N 1.23 1.82 -0.19 3.68 2.01 0.25 -0.51 115.64 123.93 2wle s THR 29 Ca 0.03 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2wle s THR 29 Cb -0.14 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.78 2wle s THR 29 CO -0.07 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 2wle s VAL 30 N 0.90 1.53 -0.20 3.82 1.01 0.11 0.02 120.40 127.60 2wle s VAL 30 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2wle s VAL 30 Cb -0.15 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2wle s VAL 30 CO -0.02 0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.53 2wle s ILE 31 N 1.45 1.53 -5.00 2.22 1.01 0.19 -0.44 121.20 122.15 2wle s ILE 31 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2wle s ILE 31 Cb -0.16 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.66 2wle s ILE 31 CO -0.08 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2wle n GLY 32 N 4.72 0.87 3.16 6.18 0.00 -0.06 0.13 105.19 120.19 2wle n GLY 32 Ca -0.14 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 2wle n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 33 N -4.00 2.00 -0.62 1.61 0.01 -1.13 -2.56 114.94 110.26 2wle s ASN 33 Ca 0.00 -0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 2wle s ASN 33 Cb 0.00 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.44 2wle s ASN 33 CO 0.00 0.20 0.07 -3.20 -1.51 0.00 0.00 177.10 172.66 2wle n ASN 34 N 2.59 -2.90 -4.92 -1.22 4.05 -0.13 -1.11 115.26 111.61 2wle n ASN 34 Ca -0.15 -0.04 -0.30 0.00 0.45 0.00 0.00 54.58 54.55 2wle n ASN 34 Cb 0.54 -2.10 -0.04 0.00 1.23 0.00 0.00 39.78 39.42 2wle n ASN 34 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2wle s ASN 35 N -2.73 6.37 -0.04 1.20 0.01 -1.21 -3.06 114.94 115.48 2wle s ASN 35 Ca 0.03 0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.48 2wle s ASN 35 Cb -0.02 -1.97 0.02 0.00 0.41 0.00 0.00 41.25 39.70 2wle s ASN 35 CO 0.04 0.11 -0.02 -0.44 -1.51 0.00 0.00 177.10 175.28 2wle s SER 36 N -2.72 0.83 -0.13 -1.22 0.01 0.08 -0.02 113.70 110.53 2wle s SER 36 Ca 0.36 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.55 2wle s SER 36 Cb -0.12 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.75 2wle s SER 36 CO 0.28 -0.08 -0.19 -0.69 0.41 0.00 0.00 173.24 172.97 2wle s VAL 37 N 1.05 1.82 -0.06 3.43 1.01 0.55 -0.73 120.40 127.46 2wle s VAL 37 Ca -0.09 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2wle s VAL 37 Cb -0.14 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2wle s VAL 37 CO -0.01 0.50 -0.15 -0.47 0.00 0.00 0.00 175.10 174.97 2wle s TYR 38 N 0.95 1.68 -0.10 5.22 5.04 0.11 -0.70 117.35 129.55 2wle s TYR 38 Ca -0.05 -0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 2wle s TYR 38 Cb -0.15 -1.18 0.03 0.00 0.35 0.00 0.00 41.96 41.01 2wle s TYR 38 CO -0.03 -0.27 -0.03 0.42 -1.34 0.00 0.00 175.55 174.30 2wle s ILE 39 N 0.45 0.68 0.00 3.14 1.01 0.23 -0.80 121.20 125.92 2wle s ILE 39 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2wle s ILE 39 Cb -0.15 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2wle s ILE 39 CO 0.04 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2wle n GLY 40 N 5.04 -0.53 3.81 6.18 0.00 -0.30 -1.46 105.19 117.94 2wle n GLY 40 Ca -0.10 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 2wle n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 41 N -1.03 7.09 -1.60 1.61 0.02 -1.26 -4.13 114.94 115.64 2wle s ASN 41 Ca 0.00 1.48 -0.02 0.00 -1.02 0.00 0.00 52.86 53.30 2wle s ASN 41 Cb 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.83 2wle s ASN 41 CO 0.00 0.01 0.25 0.59 0.02 0.00 0.00 177.10 177.97 2wle n ASN 42 N 0.65 -5.77 -4.90 -1.22 3.02 -1.21 -1.01 115.26 104.82 2wle n ASN 42 Ca -0.01 -0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.12 2wle n ASN 42 Cb 0.51 -4.71 -0.02 0.00 -0.61 0.00 0.00 39.78 34.95 2wle n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wle s LYS 44 N -4.01 1.06 -0.59 0.00 1.02 -0.44 -0.44 119.74 116.34 2wle s LYS 44 Ca 0.47 -1.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 2wle s LYS 44 Cb -0.10 -2.40 0.15 0.00 -0.52 0.00 0.00 37.83 34.96 2wle s LYS 44 CO 0.34 -0.88 0.38 0.42 -0.92 0.00 0.00 175.35 174.69 2wle s ILE 45 N 1.42 3.31 0.12 2.17 -1.09 0.72 -0.40 121.20 127.45 2wle s ILE 45 Ca 0.07 -3.11 0.10 0.00 -2.23 0.00 0.00 60.65 55.47 2wle s ILE 45 Cb -0.18 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2wle s ILE 45 CO -0.16 -0.85 -0.21 0.68 -1.23 0.00 0.00 174.94 173.16 2wle s VAL 46 N -0.17 2.65 -1.37 2.92 -7.23 -0.12 -4.16 120.40 112.91 2wle s VAL 46 Ca 0.17 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2wle s VAL 46 Cb -0.22 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.57 2wle s VAL 46 CO -0.02 0.11 0.53 -1.20 -0.31 0.00 0.00 175.10 174.21 2wle n SER 47 N 0.88 -4.57 -4.70 4.85 7.64 -0.69 -1.43 113.62 115.60 2wle n SER 47 Ca -0.16 -0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.14 2wle n SER 47 Cb 0.53 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 59.92 2wle n SER 47 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wle s SER 48 N -2.71 4.91 -0.23 6.43 0.01 -1.24 -3.22 113.70 117.66 2wle s SER 48 Ca 0.36 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 2wle s SER 48 Cb -0.18 -1.07 0.06 0.00 0.21 0.00 0.00 66.02 65.04 2wle s SER 48 CO 0.44 0.02 -0.04 0.21 0.41 0.00 0.00 173.24 174.29 2wle s ASN 49 N -3.50 3.65 -0.15 2.44 3.84 0.26 -0.82 114.94 120.66 2wle s ASN 49 Ca 0.31 -1.10 0.00 0.00 0.21 0.00 0.00 52.86 52.28 2wle s ASN 49 Cb -0.08 -1.06 0.03 0.00 -0.55 0.00 0.00 41.25 39.59 2wle s ASN 49 CO 0.21 -0.25 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.52 2wle s ILE 50 N 1.49 1.47 -0.13 -5.21 1.01 0.14 -0.98 121.20 119.00 2wle s ILE 50 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2wle s ILE 50 Cb -0.18 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2wle s ILE 50 CO -0.07 0.39 -0.20 -0.13 0.00 0.00 0.00 174.94 174.93 2wle s ARG 51 N 1.52 2.82 -0.26 2.79 0.52 0.13 -0.58 118.95 125.89 2wle s ARG 51 Ca 0.04 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2wle s ARG 51 Cb -0.13 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.09 2wle s ARG 51 CO -0.10 -0.02 -0.09 -0.51 0.02 0.00 0.00 175.30 174.60 2wle s LEU 52 N 0.84 3.31 -0.22 2.53 1.02 0.10 -1.14 118.68 125.12 2wle s LEU 52 Ca -0.07 -1.15 -0.00 0.00 0.02 0.00 0.00 54.13 52.92 2wle s LEU 52 Cb -0.15 -1.60 0.06 0.00 0.02 0.00 0.00 46.19 44.51 2wle s LEU 52 CO -0.02 -0.17 -0.02 -0.75 0.02 0.00 0.00 176.35 175.41 2wle s LYS 53 N 1.21 1.33 0.00 1.70 2.20 -0.88 0.55 119.74 125.84 2wle s LYS 53 Ca -0.04 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2wle s LYS 53 Cb -0.18 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2wle s LYS 53 CO -0.05 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 2wle n GLY 54 N 4.78 0.68 3.50 5.54 0.00 0.12 -3.40 105.19 116.40 2wle n GLY 54 Ca -0.11 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2wle n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 55 N -4.00 4.00 -1.19 1.61 0.01 -1.26 -2.82 114.94 111.29 2wle s ASN 55 Ca 0.00 -0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 51.67 2wle s ASN 55 Cb 0.00 -0.69 0.01 0.00 0.41 0.00 0.00 41.25 40.98 2wle s ASN 55 CO 0.00 0.23 1.04 0.59 -1.51 0.00 0.00 177.10 177.45 2wle n ASN 56 N 1.28 -5.48 -4.87 -1.22 3.02 -0.27 -0.58 115.26 107.14 2wle n ASN 56 Ca -0.16 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.55 2wle n ASN 56 Cb 0.52 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 35.10 2wle n ASN 56 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wle s ILE 57 N -3.29 5.22 -0.09 2.41 1.01 -1.24 -3.75 121.20 121.47 2wle s ILE 57 Ca 0.46 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.50 2wle s ILE 57 Cb -0.20 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2wle s ILE 57 CO 0.65 0.42 -0.15 -0.89 0.00 0.00 0.00 174.94 174.96 2wle s THR 58 N -1.25 1.42 -0.20 2.92 2.01 -0.59 -0.74 115.64 119.21 2wle s THR 58 Ca 0.27 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2wle s THR 58 Cb -0.14 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.12 2wle s THR 58 CO 0.15 0.42 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 2wle s LEU 59 N 0.78 2.39 -0.18 4.42 2.96 0.09 -0.80 118.68 128.35 2wle s LEU 59 Ca -0.11 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 2wle s LEU 59 Cb -0.16 -1.38 0.04 0.00 0.50 0.00 0.00 46.19 45.19 2wle s LEU 59 CO 0.02 -0.09 -0.10 0.12 -1.32 0.00 0.00 176.35 174.97 2wle s PHE 60 N 1.31 2.22 -0.19 5.38 5.36 -0.23 0.10 117.98 131.93 2wle s PHE 60 Ca 0.00 -1.41 0.01 0.00 -0.96 0.00 0.00 56.93 54.58 2wle s PHE 60 Cb -0.15 -1.57 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 2wle s PHE 60 CO -0.10 -0.70 -0.17 0.42 -1.46 0.00 0.00 175.22 173.22 2wle s ILE 61 N 1.46 1.99 0.00 3.12 1.01 0.02 -0.64 121.20 128.16 2wle s ILE 61 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2wle s ILE 61 Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2wle s ILE 61 CO -0.09 0.38 0.00 0.00 0.00 0.00 0.00 174.94 175.24 2wle n ALA 62 N 4.61 0.00 -1.79 9.38 0.00 -0.11 -1.15 120.51 131.45 2wle n ALA 62 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 2wle n ALA 62 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2wle n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wle s ASP 63 N -1.40 6.33 -1.08 0.00 1.01 -1.26 -3.71 116.67 116.57 2wle s ASP 63 Ca 0.00 1.90 -0.01 0.00 0.71 0.00 0.00 52.55 55.15 2wle s ASP 63 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2wle s ASP 63 CO 0.00 -0.79 0.10 0.47 0.21 0.00 0.00 175.17 175.16 2wle n ASP 64 N -1.06 -4.15 -4.76 0.27 8.00 -0.18 -1.44 116.55 113.25 2wle n ASP 64 Ca 0.09 -0.05 -0.36 0.00 0.71 0.00 0.00 54.79 55.18 2wle n ASP 64 Cb 0.53 -3.26 -0.07 0.00 -0.02 0.00 0.00 41.12 38.29 2wle n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wle s VAL 65 N -2.72 5.36 -0.13 2.53 1.01 -1.26 -2.92 120.40 122.28 2wle s VAL 65 Ca 0.05 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2wle s VAL 65 Cb -0.02 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2wle s VAL 65 CO 0.06 0.45 -0.22 -1.61 0.00 0.00 0.00 175.10 173.78 2wle s GLU 66 N 0.13 3.06 -0.03 2.72 2.02 -0.79 -1.33 118.70 124.49 2wle s GLU 66 Ca 0.13 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2wle s GLU 66 Cb -0.12 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.71 2wle s GLU 66 CO 0.02 0.06 -0.02 0.42 0.02 0.00 0.00 175.26 175.76 2wle s ILE 67 N 0.64 0.32 -0.17 -1.63 1.01 0.47 0.03 121.20 121.86 2wle s ILE 67 Ca -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2wle s ILE 67 Cb -0.16 -0.36 0.05 0.00 0.01 0.00 0.00 42.46 42.00 2wle s ILE 67 CO 0.02 0.16 0.01 -0.32 0.00 0.00 0.00 174.94 174.81 2wle s MET 68 N 0.73 0.84 -0.26 2.79 1.75 -0.39 -0.95 119.30 123.81 2wle s MET 68 Ca -0.08 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 53.97 2wle s MET 68 Cb -0.11 -1.92 0.00 0.00 2.84 0.00 0.00 34.83 35.64 2wle s MET 68 CO -0.01 -0.54 0.17 0.41 -0.65 0.00 0.00 175.02 174.40 2wle n GLY 69 N 5.01 0.59 3.71 2.11 0.00 -0.51 -1.39 105.19 114.71 2wle n GLY 69 Ca -0.09 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2wle n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wle s LEU 70 N -1.91 4.35 -0.26 0.99 2.96 -1.26 -2.11 118.68 121.44 2wle s LEU 70 Ca 0.08 1.61 -0.08 0.00 -0.22 0.00 0.00 54.13 55.52 2wle s LEU 70 Cb -0.04 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 2wle s LEU 70 CO 0.10 -0.27 0.09 -0.69 -1.32 0.00 0.00 176.35 174.26 2wle s VAL 71 N 1.13 4.42 -0.05 1.68 1.01 0.62 -0.57 120.40 128.64 2wle s VAL 71 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2wle s VAL 71 Cb -0.20 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2wle s VAL 71 CO 0.26 0.30 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 2wle s SER 73 N 1.24 2.66 -0.06 0.00 0.15 -0.73 -0.70 113.70 116.27 2wle s SER 73 Ca -0.06 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.08 2wle s SER 73 Cb -0.14 -0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2wle s SER 73 CO -0.02 -0.16 -0.22 -0.76 1.20 0.00 0.00 173.24 173.28 2wle s LEU 74 N 1.64 2.02 0.00 3.45 1.02 -0.30 -1.24 118.68 125.28 2wle s LEU 74 Ca 0.02 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.73 2wle s LEU 74 Cb -0.14 -1.25 0.03 0.00 0.02 0.00 0.00 46.19 44.84 2wle s LEU 74 CO -0.08 0.21 0.21 1.41 0.02 0.00 0.00 176.35 178.12 2wle n HIS 75 N 3.07 -1.37 -1.65 0.29 8.25 -0.78 -2.07 115.22 120.94 2wle n HIS 75 Ca -0.18 -1.03 -0.45 0.00 -0.26 0.00 0.00 57.72 55.81 2wle n HIS 75 Cb 0.52 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 2wle n HIS 75 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wle n SER 76 N -2.06 2.38 -1.68 0.41 7.64 -1.22 -2.07 113.62 117.01 2wle n SER 76 Ca 0.00 1.16 -0.17 0.00 1.01 0.00 0.00 58.87 60.87 2wle n SER 76 Cb 0.28 -1.40 -0.04 0.00 -1.01 0.00 0.00 64.21 62.04 2wle n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wle n ASP 77 N 1.70 -5.11 -4.83 6.43 8.00 0.25 -3.60 116.55 119.39 2wle n ASP 77 Ca 0.10 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.56 2wle n ASP 77 Cb 0.32 -4.17 -0.04 0.00 -0.02 0.00 0.00 41.12 37.20 2wle n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wle s SER 79 N -3.56 -0.25 -0.09 0.00 1.04 -0.63 -1.54 113.70 108.67 2wle s SER 79 Ca 0.32 0.49 0.04 0.00 0.48 0.00 0.00 55.95 57.29 2wle s SER 79 Cb -0.09 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 2wle s SER 79 CO 0.25 -0.10 -0.24 -0.22 0.98 0.00 0.00 173.24 173.91 2wle s LEU 80 N 0.36 2.08 -0.11 2.42 2.96 0.02 -1.58 118.68 124.82 2wle s LEU 80 Ca -0.02 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2wle s LEU 80 Cb -0.03 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.29 2wle s LEU 80 CO -0.02 0.17 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.01 2wle s GLN 81 N 0.25 1.50 -0.16 1.98 -0.21 -0.86 -1.07 119.66 121.08 2wle s GLN 81 Ca -0.16 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 54.98 2wle s GLN 81 Cb -0.17 -1.56 0.03 0.00 1.00 0.00 0.00 33.01 32.31 2wle s GLN 81 CO 0.08 -0.26 -0.14 0.42 -2.12 0.00 0.00 175.29 173.28 2wle s ILE 82 N 1.67 1.63 0.75 1.08 1.01 0.19 -0.34 121.20 127.20 2wle s ILE 82 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2wle s ILE 82 Cb -0.13 -1.58 0.12 0.00 0.01 0.00 0.00 42.46 40.89 2wle s ILE 82 CO -0.08 0.39 1.05 -1.10 0.00 0.00 0.00 174.94 175.20 2wle s GLN 83 N 1.44 1.66 0.44 2.79 -1.52 -0.48 -0.93 119.66 123.06 2wle s GLN 83 Ca 0.03 -0.73 -0.26 0.00 -1.95 0.00 0.00 55.36 52.45 2wle s GLN 83 Cb -0.14 -2.20 -0.09 0.00 -0.22 0.00 0.00 33.01 30.36 2wle s GLN 83 CO -0.10 -1.54 1.40 0.00 -0.25 0.00 0.00 175.29 174.80 2wle n ALA 84 N -3.01 1.90 -0.95 6.09 0.00 -1.26 -3.32 120.51 119.97 2wle n ALA 84 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wle n ALA 84 Cb 0.60 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2wle n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wle n LYS 85 N -0.07 -0.44 -2.46 0.00 5.02 -0.52 -0.75 118.16 118.95 2wle n LYS 85 Ca 0.05 0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 2wle n LYS 85 Cb 0.41 -3.49 -0.04 0.00 -0.02 0.00 0.00 35.03 31.89 2wle n LYS 85 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wle s THR 86 N -2.11 3.46 0.03 -0.18 2.01 -1.21 -4.32 115.64 113.32 2wle s THR 86 Ca 0.00 1.47 0.08 0.00 0.31 0.00 0.00 61.69 63.56 2wle s THR 86 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2wle s THR 86 CO 0.00 0.35 -0.25 0.42 -0.69 0.00 0.00 174.62 174.46 2wle s THR 87 N -1.15 1.98 -0.07 -0.82 -4.23 -0.23 -1.88 115.64 109.24 2wle s THR 87 Ca 0.45 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2wle s THR 87 Cb -0.32 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 71.87 2wle s THR 87 CO 0.41 0.38 0.17 -0.04 -0.54 0.00 0.00 174.62 175.01 2wle s MET 88 N -1.03 0.13 0.00 3.99 -1.94 0.10 -1.10 119.30 119.45 2wle s MET 88 Ca 0.10 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 2wle s MET 88 Cb -0.10 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.62 2wle s MET 88 CO 0.01 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 2wle n GLY 89 N 4.00 1.02 3.78 -0.03 0.00 -0.44 -1.26 105.19 112.26 2wle n GLY 89 Ca -0.24 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2wle n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 90 N -1.00 6.40 0.00 1.61 0.02 -0.48 -4.32 114.94 117.18 2wle s ASN 90 Ca 0.00 2.96 0.00 0.00 -1.02 0.00 0.00 52.86 54.80 2wle s ASN 90 Cb 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 41.25 38.61 2wle s ASN 90 CO 0.00 -0.82 0.00 0.61 0.02 0.00 0.00 177.10 176.91 2wle n GLY 91 N 0.54 -1.47 2.87 0.66 0.00 -0.90 -0.29 105.19 106.60 2wle n GLY 91 Ca 0.01 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 2wle n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wle s GLU 92 N -1.28 0.39 -0.08 1.61 2.12 -0.32 -0.28 118.70 120.87 2wle s GLU 92 Ca 0.00 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.31 2wle s GLU 92 Cb 0.00 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.93 2wle s GLU 92 CO 0.00 -0.05 -0.11 0.42 -0.54 0.00 0.00 175.26 174.98 2wle s ILE 93 N 0.60 1.13 -0.08 -3.70 1.01 -0.25 -0.73 121.20 119.18 2wle s ILE 93 Ca -0.06 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2wle s ILE 93 Cb -0.09 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.33 2wle s ILE 93 CO -0.01 0.36 -0.11 -0.89 0.00 0.00 0.00 174.94 174.30 2wle s THR 94 N 0.95 1.08 -0.09 2.92 2.01 -0.04 -1.77 115.64 120.70 2wle s THR 94 Ca -0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2wle s THR 94 Cb -0.15 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2wle s THR 94 CO 0.00 0.35 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.57 2wle s ILE 95 N 0.97 1.00 0.00 1.82 1.01 -0.37 -2.69 121.20 122.94 2wle s ILE 95 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2wle s ILE 95 Cb -0.15 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2wle s ILE 95 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.29 2wle n ALA 96 N 4.55 0.00 -3.84 9.38 0.00 -1.26 -1.87 120.51 127.47 2wle n ALA 96 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2wle n ALA 96 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 2wle n ALA 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wle n GLU 97 N 0.00 -5.25 -3.91 0.00 1.02 -1.26 -2.14 120.64 109.11 2wle n GLU 97 Ca 0.00 0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 2wle n GLU 97 Cb 0.00 -5.47 0.01 0.00 -0.02 0.00 0.00 31.44 25.96 2wle n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wle n LYS 98 N -4.57 -4.74 -0.83 3.49 5.02 -1.24 -4.94 118.16 110.36 2wle n LYS 98 Ca 0.04 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2wle n LYS 98 Cb 0.53 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2wle n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wle n GLY 99 N -1.56 3.31 3.01 0.72 0.00 -0.91 -4.67 105.19 105.08 2wle n GLY 99 Ca 0.04 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2wle n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wle s LYS 100 N -0.31 0.19 -0.06 1.61 2.20 -1.26 -1.61 119.74 120.50 2wle s LYS 100 Ca 0.00 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2wle s LYS 100 Cb 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 2wle s LYS 100 CO 0.00 -0.03 -0.16 0.42 -0.36 0.00 0.00 175.35 175.22 2wle s ILE 101 N -0.18 1.39 -0.00 5.43 1.01 -0.62 -1.57 121.20 126.66 2wle s ILE 101 Ca -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2wle s ILE 101 Cb -0.02 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2wle s ILE 101 CO 0.00 0.41 -0.15 -0.94 0.00 0.00 0.00 174.94 174.26 2wle s SER 102 N 0.30 1.78 -0.10 3.58 1.04 -0.17 -2.03 113.70 118.10 2wle s SER 102 Ca -0.09 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2wle s SER 102 Cb -0.14 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.81 2wle s SER 102 CO 0.04 0.17 -0.14 -0.63 0.98 0.00 0.00 173.24 173.65 2wle s ILE 103 N -0.43 1.36 0.00 -1.02 1.01 0.54 0.27 121.20 122.93 2wle s ILE 103 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2wle s ILE 103 Cb -0.06 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.16 2wle s ILE 103 CO -0.00 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2wle n GLY 104 N 4.14 -0.76 3.77 6.18 0.00 -0.04 -1.38 105.19 117.09 2wle n GLY 104 Ca -0.19 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 2wle n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle s LYS 105 N -2.53 4.25 -1.43 1.61 1.02 -1.26 -3.74 119.74 117.66 2wle s LYS 105 Ca 0.00 1.94 -0.07 0.00 0.02 0.00 0.00 55.97 57.86 2wle s LYS 105 Cb 0.00 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2wle s LYS 105 CO 0.00 -0.19 0.85 -3.47 -0.92 0.00 0.00 175.35 171.62 2wle n ASP 106 N 0.48 -3.10 -4.92 2.83 2.03 0.07 0.37 116.55 114.32 2wle n ASP 106 Ca 0.02 -0.80 -0.27 0.00 0.52 0.00 0.00 54.79 54.26 2wle n ASP 106 Cb 0.45 -3.96 0.03 0.00 -0.72 0.00 0.00 41.12 36.92 2wle n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wle s MET 108 N -4.98 0.11 -0.30 0.00 1.75 -0.20 -1.07 119.30 114.61 2wle s MET 108 Ca 0.53 -0.15 -0.07 0.00 -1.25 0.00 0.00 55.69 54.76 2wle s MET 108 Cb -0.11 -1.60 0.01 0.00 2.84 0.00 0.00 34.83 35.97 2wle s MET 108 CO 0.45 -0.75 0.08 -0.51 -0.65 0.00 0.00 175.02 173.65 2wle s LEU 109 N 2.15 3.91 0.65 4.11 1.02 -0.26 -0.40 118.68 129.86 2wle s LEU 109 Ca 0.04 -0.77 -0.13 0.00 0.02 0.00 0.00 54.13 53.30 2wle s LEU 109 Cb -0.16 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 2wle s LEU 109 CO -0.16 -0.21 1.05 0.00 0.02 0.00 0.00 176.35 177.05 2wle s ALA 110 N 1.49 2.76 0.24 4.21 0.00 -0.37 -1.33 121.76 128.76 2wle s ALA 110 Ca 0.02 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 2wle s ALA 110 Cb -0.17 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.61 2wle s ALA 110 CO 0.02 -1.00 0.77 0.72 0.00 0.00 0.00 175.76 176.28 2wle n HIS 111 N -2.69 0.41 0.00 0.00 8.25 -1.26 -3.51 115.22 116.42 2wle n HIS 111 Ca 0.08 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 2wle n HIS 111 Cb 0.53 -2.11 0.00 0.00 1.12 0.00 0.00 29.99 29.54 2wle n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wle n GLY 112 N 1.61 0.71 3.77 -1.41 0.00 0.61 -1.59 105.19 108.88 2wle n GLY 112 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2wle n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wle s TYR 113 N -2.00 3.19 -0.16 1.61 1.13 -1.23 -3.85 117.35 116.04 2wle s TYR 113 Ca 0.00 1.54 -0.00 0.00 -1.41 0.00 0.00 57.07 57.20 2wle s TYR 113 Cb 0.00 -3.48 0.04 0.00 -1.10 0.00 0.00 41.96 37.42 2wle s TYR 113 CO 0.00 -1.32 -0.08 -2.00 -2.51 0.00 0.00 175.55 169.64 2wle s GLU 114 N -1.88 1.68 -0.10 -3.49 2.12 -0.34 -1.17 118.70 115.52 2wle s GLU 114 Ca 0.51 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2wle s GLU 114 Cb -0.34 -2.04 0.02 0.00 0.26 0.00 0.00 34.13 32.02 2wle s GLU 114 CO 0.45 -0.38 -0.13 0.42 -0.54 0.00 0.00 175.26 175.08 2wle s ILE 115 N 1.58 1.33 -0.10 -3.70 1.01 0.09 0.25 121.20 121.65 2wle s ILE 115 Ca 0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 2wle s ILE 115 Cb -0.15 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.11 2wle s ILE 115 CO -0.08 0.41 0.33 0.00 0.00 0.00 0.00 174.94 175.59 2wle s ARG 116 N 1.11 0.46 0.00 2.79 1.70 -0.67 -0.86 118.95 123.48 2wle s ARG 116 Ca -0.05 0.30 0.22 0.00 -0.47 0.00 0.00 55.73 55.73 2wle s ARG 116 Cb -0.14 0.22 0.53 0.00 -0.57 0.00 0.00 34.95 34.98 2wle s ARG 116 CO -0.03 -0.08 1.45 0.27 -1.08 0.00 0.00 175.30 175.83 2wle n ASN 117 N 2.48 2.81 -3.85 -2.89 6.94 -1.09 -2.33 115.26 117.33 2wle n ASN 117 Ca -0.15 -1.90 -0.12 0.00 -0.02 0.00 0.00 54.58 52.39 2wle n ASN 117 Cb 0.57 -0.19 -0.09 0.00 -2.36 0.00 0.00 39.78 37.71 2wle n ASN 117 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2wle s THR 118 N -1.62 0.08 -0.64 5.53 -1.32 -1.26 -1.53 115.64 114.88 2wle s THR 118 Ca 0.36 -0.66 0.24 0.00 -1.21 0.00 0.00 61.69 60.43 2wle s THR 118 Cb 0.21 -0.50 0.11 0.00 -1.51 0.00 0.00 72.50 70.81 2wle s THR 118 CO 0.29 -0.36 1.42 0.44 -2.21 0.00 0.00 174.62 174.21 2wle h ASP 119 N 4.13 0.00 0.00 8.08 3.32 -1.93 -3.46 116.42 126.56 2wle h ASP 119 Ca -0.31 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wle h ASP 119 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wle h ASP 119 CO 0.41 0.08 0.00 0.23 -1.72 0.00 0.00 179.24 178.23 2wle n MET 120 N -2.20 0.00 -3.72 3.56 2.81 -1.26 -4.94 117.12 111.36 2wle n MET 120 Ca 0.04 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.79 2wle n MET 120 Cb 0.44 -2.09 -0.09 0.00 -0.71 0.00 0.00 33.22 30.77 2wle n MET 120 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2wle s HIS 121 N -2.74 -0.39 0.28 2.03 3.76 -1.26 -5.15 115.29 111.81 2wle s HIS 121 Ca 0.00 0.88 -0.28 0.00 -0.15 0.00 0.00 55.06 55.51 2wle s HIS 121 Cb 0.00 0.16 -0.09 0.00 1.11 0.00 0.00 32.58 33.75 2wle s HIS 121 CO 0.00 -0.29 0.98 -1.25 -0.85 0.00 0.00 174.74 173.33 2wle s PRO 122 N -0.30 4.68 -0.17 8.40 0.04 -1.26 -5.02 135.00 141.37 2wle s PRO 122 Ca -0.05 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 2wle s PRO 122 Cb -0.03 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 2wle s PRO 122 CO 0.02 0.34 -0.11 0.42 0.04 0.00 0.00 177.00 177.71 2wle s ILE 123 N -1.34 2.98 0.01 0.56 1.01 -1.26 -5.07 121.20 118.09 2wle s ILE 123 Ca 0.46 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2wle s ILE 123 Cb -0.25 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2wle s ILE 123 CO 0.31 0.49 -0.01 -0.31 0.00 0.00 0.00 174.94 175.42 2wle s TYR 124 N 0.91 3.03 0.19 3.97 2.02 -1.26 -1.39 117.35 124.81 2wle s TYR 124 Ca -0.02 0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 2wle s TYR 124 Cb -0.15 -1.64 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 2wle s TYR 124 CO -0.01 0.45 1.16 0.45 -1.57 0.00 0.00 175.55 176.03 2wle s SER 125 N -1.61 7.15 0.41 2.29 0.15 0.49 -4.93 113.70 117.65 2wle s SER 125 Ca 0.20 2.19 0.22 0.00 0.70 0.00 0.00 55.95 59.25 2wle s SER 125 Cb -0.11 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.39 2wle s SER 125 CO 0.11 -0.31 1.78 -0.07 1.20 0.00 0.00 173.24 175.94 2wle h LEU 126 N 5.11 0.00 -0.26 3.45 4.07 -1.95 0.11 115.31 125.84 2wle h LEU 126 Ca -0.45 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 2wle h LEU 126 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2wle h LEU 126 CO 0.73 0.29 0.07 -0.33 -1.08 0.00 0.00 178.44 178.12 2wle h GLU 127 N 0.00 0.41 0.00 1.13 5.08 -1.97 -3.38 114.58 115.85 2wle h GLU 127 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wle h GLU 127 Cb 0.82 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2wle h GLU 127 CO 0.04 0.49 0.00 0.27 -1.00 0.00 0.00 179.01 178.81 2wle n ASN 128 N -4.72 0.30 0.00 1.42 0.23 -1.24 -5.02 115.26 106.23 2wle n ASN 128 Ca -0.03 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 2wle n ASN 128 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2wle n ASN 128 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wle n GLY 129 N -0.07 0.69 3.83 4.83 0.00 0.39 -4.98 105.19 109.89 2wle n GLY 129 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wle n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wle s GLU 130 N -0.30 4.02 0.11 1.61 0.41 -1.25 -4.60 118.70 118.69 2wle s GLU 130 Ca 0.00 1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 55.28 2wle s GLU 130 Cb 0.00 -2.15 -0.06 0.00 -1.78 0.00 0.00 34.13 30.14 2wle s GLU 130 CO 0.00 -0.21 1.09 0.50 -0.49 0.00 0.00 175.26 176.15 2wle s ARG 131 N -3.76 4.56 0.00 1.61 3.52 -1.26 -0.38 118.95 123.23 2wle s ARG 131 Ca 0.60 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 2wle s ARG 131 Cb -0.10 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2wle s ARG 131 CO 0.25 -0.02 0.67 0.44 -0.81 0.00 0.00 175.30 175.83 2wle n ILE 132 N 3.09 0.44 -2.35 4.11 -6.64 -0.49 -4.74 119.36 112.77 2wle n ILE 132 Ca 0.05 -0.59 -0.24 0.00 -1.77 0.00 0.00 62.75 60.20 2wle n ILE 132 Cb 0.47 0.89 0.01 0.00 -1.44 0.00 0.00 39.64 39.57 2wle n ILE 132 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2wle n ASN 133 N -0.22 4.45 -4.71 7.28 6.94 -1.25 -5.03 115.26 122.71 2wle n ASN 133 Ca 0.00 -3.60 -0.39 0.00 -0.02 0.00 0.00 54.58 50.57 2wle n ASN 133 Cb 0.21 -0.43 0.04 0.00 -2.36 0.00 0.00 39.78 37.24 2wle n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2wle n HIS 134 N -0.53 2.02 -0.85 -2.53 8.25 -1.26 -4.76 115.22 115.56 2wle n HIS 134 Ca 0.37 0.45 -0.32 0.00 -0.26 0.00 0.00 57.72 57.96 2wle n HIS 134 Cb 0.78 -2.33 0.15 0.00 1.12 0.00 0.00 29.99 29.71 2wle n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wle n GLY 135 N 0.86 -0.54 3.21 -1.41 0.00 -1.26 -5.00 105.19 101.06 2wle n GLY 135 Ca 0.10 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2wle n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle s LYS 136 N -4.26 0.52 0.76 1.61 1.02 -0.58 -4.99 119.74 113.82 2wle s LYS 136 Ca 0.68 0.07 -0.12 0.00 0.02 0.00 0.00 55.97 56.62 2wle s LYS 136 Cb -0.25 0.24 0.06 0.00 -0.52 0.00 0.00 37.83 37.35 2wle s LYS 136 CO 0.57 -0.12 1.12 -0.51 -0.92 0.00 0.00 175.35 175.49 2wle s ASP 137 N -0.67 4.34 -0.08 2.83 1.01 -1.26 -2.22 116.67 120.63 2wle s ASP 137 Ca -0.08 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.23 2wle s ASP 137 Cb -0.04 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2wle s ASP 137 CO 0.02 -2.15 -0.21 -0.69 0.21 0.00 0.00 175.17 172.36 2wle s VAL 138 N -2.59 1.78 -0.19 -1.27 1.01 -0.61 -2.17 120.40 116.35 2wle s VAL 138 Ca 0.65 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2wle s VAL 138 Cb -0.20 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.68 2wle s VAL 138 CO 0.51 0.50 -0.04 -0.63 0.00 0.00 0.00 175.10 175.44 2wle s ILE 139 N 0.28 1.14 -0.33 2.22 1.01 -0.58 -1.00 121.20 123.93 2wle s ILE 139 Ca -0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 2wle s ILE 139 Cb -0.16 -1.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 2wle s ILE 139 CO 0.06 0.01 0.19 -0.63 0.00 0.00 0.00 174.94 174.57 2wle s ILE 140 N 1.60 4.80 1.27 2.92 1.01 0.14 0.03 121.20 132.97 2wle s ILE 140 Ca -0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 2wle s ILE 140 Cb -0.17 -3.50 0.31 0.00 0.01 0.00 0.00 42.46 39.12 2wle s ILE 140 CO -0.07 -0.01 1.06 -0.83 0.00 0.00 0.00 174.94 175.09 2wle s GLY 141 N 1.64 1.54 0.46 6.18 0.00 0.30 -0.86 107.32 116.58 2wle s GLY 141 Ca 0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 2wle s GLY 141 CO 0.08 0.00 1.32 -1.31 0.00 0.00 0.00 173.10 173.19 2wle s ASN 142 N -3.69 5.93 -1.15 1.64 0.01 -1.26 -3.60 114.94 112.82 2wle s ASN 142 Ca 0.70 2.69 -0.11 0.00 -0.71 0.00 0.00 52.86 55.43 2wle s ASN 142 Cb -0.10 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 2wle s ASN 142 CO 0.57 -1.11 0.81 1.57 -1.51 0.00 0.00 177.10 177.43 2wle n HIS 143 N -0.33 -2.08 -4.57 2.20 -0.00 0.16 -1.07 115.22 109.53 2wle n HIS 143 Ca 0.06 0.68 -0.34 0.00 0.46 0.00 0.00 57.72 58.58 2wle n HIS 143 Cb 0.44 -3.90 -0.12 0.00 -0.12 0.00 0.00 29.99 26.29 2wle n HIS 143 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2wle s VAL 144 N -3.49 3.66 -0.22 3.57 1.01 -1.25 -1.98 120.40 121.70 2wle s VAL 144 Ca 0.35 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2wle s VAL 144 Cb -0.09 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2wle s VAL 144 CO 0.81 0.55 -0.06 0.86 0.00 0.00 0.00 175.10 177.25 2wle s TRP 145 N -0.19 2.95 -0.27 5.22 -0.00 0.14 -1.03 118.94 125.76 2wle s TRP 145 Ca 0.02 -1.11 -0.11 0.00 -0.00 0.00 0.00 56.10 54.91 2wle s TRP 145 Cb -0.13 -2.08 -0.05 0.00 -0.00 0.00 0.00 33.47 31.21 2wle s TRP 145 CO 0.03 -0.61 0.17 -0.51 -0.00 0.00 0.00 176.95 176.03 2wle s LEU 146 N 1.44 4.00 0.00 5.86 1.43 0.47 -0.47 118.68 131.40 2wle s LEU 146 Ca 0.05 0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 2wle s LEU 146 Cb -0.14 -2.10 0.25 0.00 0.03 0.00 0.00 46.19 44.22 2wle s LEU 146 CO -0.05 -0.02 0.77 0.61 0.23 0.00 0.00 176.35 177.89 2wle n GLY 147 N 4.87 -3.04 3.72 -3.19 0.00 -0.05 -1.24 105.19 106.24 2wle n GLY 147 Ca -0.14 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2wle n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle n ARG 148 N -4.26 2.25 -3.74 1.61 5.12 -1.26 -3.70 116.66 112.68 2wle n ARG 148 Ca 0.11 0.79 -0.22 0.00 -1.93 0.00 0.00 57.85 56.60 2wle n ARG 148 Cb 0.44 -2.41 0.03 0.00 -1.16 0.00 0.00 32.46 29.36 2wle n ARG 148 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wle n ASN 149 N 0.67 -1.44 -4.86 0.55 4.13 -0.62 -0.15 115.26 113.54 2wle n ASN 149 Ca 0.04 -0.83 -0.37 0.00 1.68 0.00 0.00 54.58 55.10 2wle n ASN 149 Cb 0.37 -3.97 -0.06 0.00 -1.54 0.00 0.00 39.78 34.58 2wle n ASN 149 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wle s VAL 150 N -3.66 5.25 -0.13 2.41 1.01 -1.24 -3.29 120.40 120.76 2wle s VAL 150 Ca 0.07 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2wle s VAL 150 Cb -0.03 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2wle s VAL 150 CO 0.82 0.56 -0.16 -0.89 0.00 0.00 0.00 175.10 175.42 2wle s THR 151 N -1.10 2.65 -0.22 3.92 2.01 -0.41 -1.20 115.64 121.30 2wle s THR 151 Ca 0.21 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2wle s THR 151 Cb -0.14 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.30 2wle s THR 151 CO 0.10 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.80 2wle s ILE 152 N 0.56 2.40 0.59 1.82 -1.09 0.14 -0.43 121.20 125.19 2wle s ILE 152 Ca -0.10 -1.08 0.10 0.00 -2.23 0.00 0.00 60.65 57.34 2wle s ILE 152 Cb -0.16 -2.16 0.09 0.00 -1.58 0.00 0.00 42.46 38.65 2wle s ILE 152 CO 0.04 0.32 0.79 -0.76 -1.23 0.00 0.00 174.94 174.09 2wle s LEU 153 N 1.27 2.98 0.49 2.97 1.43 -0.71 -1.67 118.68 125.44 2wle s LEU 153 Ca 0.01 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 2wle s LEU 153 Cb -0.16 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 2wle s LEU 153 CO -0.08 -1.40 1.36 2.29 0.23 0.00 0.00 176.35 178.75 2wle n LYS 154 N -2.25 1.93 -0.44 1.70 2.85 -0.98 -2.66 118.16 118.30 2wle n LYS 154 Ca 0.15 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 58.11 2wle n LYS 154 Cb 0.62 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 2wle n LYS 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wle n GLY 155 N 0.71 1.99 3.69 2.58 0.00 -0.92 -4.85 105.19 108.39 2wle n GLY 155 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2wle n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wle s VAL 156 N -3.38 3.93 -0.15 1.61 1.01 -1.09 -4.60 120.40 117.73 2wle s VAL 156 Ca 0.00 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 2wle s VAL 156 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2wle s VAL 156 CO 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 175.10 174.99 2wle s ILE 158 N 0.63 3.57 1.04 0.00 1.01 0.10 -2.37 121.20 125.18 2wle s ILE 158 Ca -0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2wle s ILE 158 Cb -0.16 -2.62 0.21 0.00 0.01 0.00 0.00 42.46 39.91 2wle s ILE 158 CO 0.03 0.43 1.09 -2.84 0.00 0.00 0.00 174.94 173.64 2wle s PRO 159 N 1.25 0.06 0.70 2.79 0.02 -1.26 -0.54 135.00 138.02 2wle s PRO 159 Ca 0.03 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.09 2wle s PRO 159 Cb -0.14 -1.64 0.02 0.00 0.02 0.00 0.00 34.50 32.75 2wle s PRO 159 CO -0.01 -3.17 1.27 -0.80 -0.33 0.00 0.00 177.00 173.96 2wle s ASN 160 N -2.60 4.28 -0.95 2.53 0.01 -1.26 -4.14 114.94 112.81 2wle s ASN 160 Ca 0.68 2.55 -0.10 0.00 -0.71 0.00 0.00 52.86 55.28 2wle s ASN 160 Cb -0.24 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.81 2wle s ASN 160 CO 0.61 -2.22 0.72 -3.20 -1.51 0.00 0.00 177.10 171.50 2wle n ASN 161 N -2.35 -5.88 -4.07 -1.22 5.15 -0.23 -2.99 115.26 103.67 2wle n ASN 161 Ca 0.15 -0.75 -0.18 0.00 -0.60 0.00 0.00 54.58 53.19 2wle n ASN 161 Cb 0.49 -3.44 -0.14 0.00 -0.53 0.00 0.00 39.78 36.16 2wle n ASN 161 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wle s VAL 162 N -3.21 0.84 -0.16 3.44 1.01 -1.13 -1.03 120.40 120.16 2wle s VAL 162 Ca 0.22 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2wle s VAL 162 Cb -0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2wle s VAL 162 CO 0.84 0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 175.25 2wle s VAL 163 N -0.58 3.52 -0.21 2.92 1.01 -0.59 -0.68 120.40 125.78 2wle s VAL 163 Ca 0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2wle s VAL 163 Cb -0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2wle s VAL 163 CO 0.00 0.48 0.08 -0.69 0.00 0.00 0.00 175.10 174.98 2wle s VAL 164 N 0.62 4.72 0.66 2.92 1.01 0.38 -0.57 120.40 130.14 2wle s VAL 164 Ca -0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2wle s VAL 164 Cb -0.15 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2wle s VAL 164 CO 0.03 0.40 1.12 -0.83 0.00 0.00 0.00 175.10 175.81 2wle s GLY 165 N 0.90 2.20 0.10 4.51 0.00 0.84 -0.87 107.32 114.99 2wle s GLY 165 Ca 0.04 0.59 -0.36 0.00 0.00 0.00 0.00 44.72 44.99 2wle s GLY 165 CO 0.03 0.94 1.16 -1.26 0.00 0.00 0.00 173.10 173.97 2wle n SER 166 N -2.36 0.92 -1.41 1.64 2.88 -1.26 -2.01 113.62 112.01 2wle n SER 166 Ca 0.11 1.14 -0.17 0.00 -1.33 0.00 0.00 58.87 58.61 2wle n SER 166 Cb 0.52 -1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 62.80 2wle n SER 166 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wle n HIS 167 N 1.77 -0.10 -2.73 0.66 8.25 0.79 -4.88 115.22 118.99 2wle n HIS 167 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 2wle n HIS 167 Cb 0.18 -3.04 -0.06 0.00 1.12 0.00 0.00 29.99 28.20 2wle n HIS 167 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wle s THR 168 N -2.67 4.13 -0.27 1.59 2.01 -0.85 -4.90 115.64 114.67 2wle s THR 168 Ca 0.00 2.05 -0.08 0.00 0.31 0.00 0.00 61.69 63.97 2wle s THR 168 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2wle s THR 168 CO 0.00 0.45 0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 2wle s VAL 169 N -0.91 4.41 -0.28 3.82 1.01 -1.26 -1.29 120.40 125.90 2wle s VAL 169 Ca 0.43 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2wle s VAL 169 Cb -0.26 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2wle s VAL 169 CO 0.32 0.23 0.20 -0.76 0.00 0.00 0.00 175.10 175.09 2wle s LEU 170 N 1.61 4.05 -0.00 3.92 1.43 0.42 -4.44 118.68 125.67 2wle s LEU 170 Ca 0.05 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2wle s LEU 170 Cb -0.16 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2wle s LEU 170 CO 0.05 -0.07 0.23 0.00 0.23 0.00 0.00 176.35 176.79 2wle n TYR 171 N 5.08 0.00 -4.08 0.29 0.18 -1.26 -1.74 117.16 115.62 2wle n TYR 171 Ca -0.14 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.55 2wle n TYR 171 Cb 0.52 -0.02 -0.09 0.00 -0.38 0.00 0.00 39.34 39.37 2wle n TYR 171 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 2wle s LYS 172 N -1.64 1.05 0.63 -3.48 -2.85 -1.26 -4.79 119.74 107.39 2wle s LYS 172 Ca 0.02 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.51 2wle s LYS 172 Cb 0.04 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2wle s LYS 172 CO 0.24 -0.34 1.04 -1.12 0.10 0.00 0.00 175.35 175.26 2wle s SER 173 N -3.03 5.97 0.23 0.03 0.01 -1.26 -4.74 113.70 110.91 2wle s SER 173 Ca 0.23 1.55 0.10 0.00 1.31 0.00 0.00 55.95 59.14 2wle s SER 173 Cb 0.06 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2wle s SER 173 CO 0.02 -1.04 -0.18 -0.36 0.41 0.00 0.00 173.24 172.08 2wle s PHE 174 N -2.98 2.06 -0.01 2.43 0.40 -1.00 -4.95 117.98 113.94 2wle s PHE 174 Ca 0.57 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2wle s PHE 174 Cb -0.12 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2wle s PHE 174 CO 0.49 0.54 0.02 1.63 0.70 0.00 0.00 175.22 178.60 2wle n LYS 175 N -0.35 1.60 -2.62 0.44 4.76 -1.26 -4.30 118.16 116.43 2wle n LYS 175 Ca -0.08 -0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 54.93 2wle n LYS 175 Cb 0.59 -1.03 -0.02 0.00 -1.84 0.00 0.00 35.03 32.73 2wle n LYS 175 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2wle s GLU 176 N -2.06 4.30 0.82 1.97 2.56 -1.26 -4.86 118.70 120.17 2wle s GLU 176 Ca -0.01 1.44 -0.10 0.00 0.00 0.00 0.00 54.97 56.30 2wle s GLU 176 Cb 0.01 -3.63 0.12 0.00 2.00 0.00 0.00 34.13 32.63 2wle s GLU 176 CO 0.05 -0.55 1.15 -1.25 -0.56 0.00 0.00 175.26 174.10 2wle s PRO 177 N 2.88 1.55 -1.24 4.30 0.04 -1.26 -4.54 135.00 136.73 2wle s PRO 177 Ca 0.48 -0.33 -0.07 0.00 0.04 0.00 0.00 61.00 61.11 2wle s PRO 177 Cb -0.18 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.34 2wle s PRO 177 CO 0.11 -1.75 1.08 0.09 0.04 0.00 0.00 177.00 176.58 2wle n ASN 178 N -3.29 -5.64 -4.16 6.66 3.02 -0.20 -4.69 115.26 106.96 2wle n ASN 178 Ca 0.11 -0.50 -0.11 0.00 -0.03 0.00 0.00 54.58 54.05 2wle n ASN 178 Cb 0.60 -4.69 -0.10 0.00 -0.61 0.00 0.00 39.78 34.99 2wle n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wle s VAL 180 N -4.09 4.67 -0.12 0.00 1.01 0.57 -1.55 120.40 120.91 2wle s VAL 180 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2wle s VAL 180 Cb 0.07 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2wle s VAL 180 CO 0.06 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 2wle s ILE 181 N 0.51 3.13 0.23 2.22 1.01 0.27 -0.26 121.20 128.31 2wle s ILE 181 Ca 0.03 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2wle s ILE 181 Cb -0.13 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.08 2wle s ILE 181 CO 0.01 0.54 0.74 0.00 0.00 0.00 0.00 174.94 176.22 2wle s ALA 182 N 0.12 -1.36 0.00 9.38 0.00 -0.51 -0.11 121.76 129.28 2wle s ALA 182 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wle s ALA 182 Cb -0.15 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2wle s ALA 182 CO 0.05 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2wle n GLY 183 N -0.44 -2.62 2.86 0.00 0.00 -1.26 -1.83 105.19 101.90 2wle n GLY 183 Ca -0.07 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 2wle n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wle s SER 184 N -2.58 0.79 0.49 1.61 0.15 -1.26 -2.48 113.70 110.41 2wle s SER 184 Ca 0.00 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 2wle s SER 184 Cb 0.00 0.71 -0.08 0.00 -1.71 0.00 0.00 66.02 64.94 2wle s SER 184 CO 0.00 -0.30 1.06 -2.16 1.20 0.00 0.00 173.24 173.04 2wle s PRO 185 N 2.42 3.76 -0.03 5.44 0.04 -1.26 -5.08 135.00 140.29 2wle s PRO 185 Ca 0.08 1.43 -0.36 0.00 0.04 0.00 0.00 61.00 62.19 2wle s PRO 185 Cb -0.15 -2.13 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 2wle s PRO 185 CO -0.13 -0.48 1.68 0.00 0.04 0.00 0.00 177.00 178.11 2wle n ALA 186 N -0.91 0.44 -2.65 8.56 0.00 -1.04 -4.96 120.51 119.95 2wle n ALA 186 Ca 0.09 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 2wle n ALA 186 Cb 0.52 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 2wle n ALA 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2wle s LYS 187 N 2.48 0.77 0.03 0.00 -2.85 -0.76 -4.92 119.74 114.50 2wle s LYS 187 Ca 0.89 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 54.71 2wle s LYS 187 Cb -0.82 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.19 2wle s LYS 187 CO 0.50 -0.23 1.80 0.42 0.10 0.00 0.00 175.35 177.94 2wle s ILE 188 N -3.38 3.09 -0.29 3.79 1.01 -1.26 -1.42 121.20 122.75 2wle s ILE 188 Ca 0.01 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.04 2wle s ILE 188 Cb 0.03 -3.19 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 2wle s ILE 188 CO -0.08 -0.02 0.30 1.33 0.00 0.00 0.00 174.94 176.47 2wle n VAL 189 N 5.24 0.00 -3.69 2.92 0.24 0.64 -4.94 118.33 118.74 2wle n VAL 189 Ca 0.18 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2wle n VAL 189 Cb 0.41 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.52 2wle n VAL 189 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wle s LYS 190 N -1.95 0.63 0.27 7.34 2.20 -1.14 -4.97 119.74 122.11 2wle s LYS 190 Ca 0.02 0.62 0.10 0.00 -0.36 0.00 0.00 55.97 56.35 2wle s LYS 190 Cb 0.06 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.63 2wle s LYS 190 CO 0.33 -0.09 -0.17 -1.21 -0.36 0.00 0.00 175.35 173.85 2wle s GLU 191 N 0.07 1.60 -0.84 4.03 2.02 -1.26 -0.31 118.70 124.01 2wle s GLU 191 Ca -0.02 -1.74 -0.01 0.00 0.02 0.00 0.00 54.97 53.22 2wle s GLU 191 Cb -0.03 -1.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 2wle s GLU 191 CO 0.01 0.26 0.70 0.09 0.02 0.00 0.00 175.26 176.35 2wle n ASN 192 N -0.58 -2.62 -4.40 -0.19 5.03 0.18 -4.94 115.26 107.74 2wle n ASN 192 Ca -0.06 -0.45 -0.20 0.00 0.87 0.00 0.00 54.58 54.74 2wle n ASN 192 Cb 0.61 -3.82 -0.10 0.00 -1.02 0.00 0.00 39.78 35.44 2wle n ASN 192 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2wle s ILE 193 N -3.26 1.21 -0.05 2.41 -5.25 -0.24 -5.04 121.20 110.99 2wle s ILE 193 Ca 0.06 -2.04 -0.04 0.00 -0.99 0.00 0.00 60.65 57.64 2wle s ILE 193 Cb -0.01 -2.56 0.02 0.00 2.95 0.00 0.00 42.46 42.86 2wle s ILE 193 CO 0.52 -0.18 0.13 0.54 -1.79 0.00 0.00 174.94 174.16 2wle s VAL 194 N -3.30 -0.01 0.19 8.37 0.11 -1.26 -4.47 120.40 120.03 2wle s VAL 194 Ca 0.32 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 2wle s VAL 194 Cb 0.07 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2wle s VAL 194 CO 0.12 0.01 0.21 -1.66 -3.33 0.00 0.00 175.10 170.46 2wle s TRP 195 N 0.28 3.25 0.30 1.54 1.48 -1.26 -5.06 118.94 119.47 2wle s TRP 195 Ca -0.02 -0.01 0.03 0.00 -1.06 0.00 0.00 56.10 55.05 2wle s TRP 195 Cb -0.03 -1.53 -0.04 0.00 -1.16 0.00 0.00 33.47 30.71 2wle s TRP 195 CO -0.01 0.51 0.16 0.20 -4.06 0.00 0.00 176.95 173.75 2wle s GLY 196 N -3.38 2.04 0.00 3.67 0.00 -1.26 -5.01 107.32 103.38 2wle s GLY 196 Ca 0.32 -1.77 0.14 0.00 0.00 0.00 0.00 44.72 43.42 2wle s GLY 196 CO 0.25 -1.58 0.74 3.21 0.00 0.00 0.00 173.10 175.73 2wle h ARG 197 N 2.23 0.00 -4.89 2.90 3.08 -2.01 -3.47 114.38 112.22 2wle h ARG 197 Ca -0.33 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.04 2wle h ARG 197 Cb 1.25 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.99 2wle h ARG 197 CO 0.52 0.42 -0.72 0.15 -1.07 0.00 0.00 179.97 179.26 2wle s LYS 198 N -2.73 2.90 0.56 0.04 1.02 -1.26 -4.98 119.74 115.30 2wle s LYS 198 Ca -0.04 -0.94 0.35 0.00 0.02 0.00 0.00 55.97 55.36 2wle s LYS 198 Cb 0.08 -3.05 1.48 0.00 -0.52 0.00 0.00 37.83 35.82 2wle s LYS 198 CO 0.82 -0.40 2.03 0.52 -0.92 0.00 0.00 175.35 177.40 2wle h MET 199 N 8.05 0.00 0.00 1.68 2.86 -2.04 -3.11 114.93 122.37 2wle h MET 199 Ca -0.33 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 2wle h MET 199 Cb 1.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 2wle h MET 199 CO 0.58 0.00 -0.09 0.10 1.06 0.00 0.00 176.91 178.56 2wle h TYR 200 N 0.00 0.00 -3.86 -0.22 -0.00 -2.03 -3.44 116.97 107.42 2wle h TYR 200 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 58.73 58.21 2wle h TYR 200 Cb 0.46 0.00 0.05 0.00 0.00 0.00 0.00 36.73 37.24 2wle h TYR 200 CO 0.00 0.09 0.58 -1.01 -0.00 0.00 0.00 178.16 177.82 2wle s HIS 201 N -3.60 3.21 0.04 0.10 3.76 -1.18 -4.96 115.29 112.66 2wle s HIS 201 Ca 0.02 1.51 -0.20 0.00 -0.15 0.00 0.00 55.06 56.23 2wle s HIS 201 Cb 0.09 -3.55 -0.14 0.00 1.11 0.00 0.00 32.58 30.09 2wle s HIS 201 CO 0.59 -1.45 1.34 0.77 -0.85 0.00 0.00 174.74 175.15 2wle h SER 202 N 3.48 0.41 -5.49 1.40 0.02 -1.92 -3.48 113.55 107.97 2wle h SER 202 Ca -0.48 -0.49 -0.20 0.00 -0.84 0.00 0.00 61.79 59.78 2wle h SER 202 Cb 1.22 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.50 2wle h SER 202 CO 0.66 0.82 -0.55 0.42 -1.14 0.00 0.00 176.83 177.04 2wle s THR 203 N -4.27 0.03 0.46 -2.27 -4.23 -1.26 -5.04 115.64 99.05 2wle s THR 203 Ca -0.14 -1.87 0.14 0.00 -1.18 0.00 0.00 61.69 58.64 2wle s THR 203 Cb 0.05 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.78 2wle s THR 203 CO 0.76 -0.12 2.03 0.00 -0.54 0.00 0.00 174.62 176.76 2wle h MET 204 N 2.62 0.04 0.00 3.99 -0.00 -1.95 -2.22 114.93 117.42 2wle h MET 204 Ca -0.34 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.33 2wle h MET 204 Cb 1.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2wle h MET 204 CO 0.52 0.15 -0.10 1.88 -0.00 0.00 0.00 176.91 179.36 2wle h TYR 205 N 0.04 0.00 0.00 -0.10 -1.99 -1.98 -1.55 116.97 111.40 2wle h TYR 205 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2wle h TYR 205 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 2wle h TYR 205 CO 0.00 0.10 0.00 -0.25 -0.00 0.00 0.00 178.16 178.01 2wle n ASP 206 N -3.63 0.19 -4.19 3.88 8.00 -0.83 -4.59 116.55 115.38 2wle n ASP 206 Ca -0.02 0.53 -0.39 0.00 0.71 0.00 0.00 54.79 55.62 2wle n ASP 206 Cb 0.22 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 2wle n ASP 206 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wle s ASP 207 N -3.36 5.55 0.62 -2.24 -1.08 -0.58 -4.96 116.67 110.62 2wle s ASP 207 Ca 0.11 -1.89 0.36 0.00 -0.52 0.00 0.00 52.55 50.61 2wle s ASP 207 Cb 0.15 -1.95 2.06 0.00 -1.46 0.00 0.00 42.92 41.72 2wle s ASP 207 CO 0.46 -0.62 2.30 -0.65 0.52 0.00 0.00 175.17 177.18 2wle h PRO 208 N 8.32 0.00 0.00 4.34 0.11 -1.83 -0.95 132.00 141.99 2wle h PRO 208 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wle h PRO 208 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wle h PRO 208 CO 0.79 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.83 2wle n THR 209 N -3.55 0.73 0.84 -1.15 -2.24 -1.26 -2.96 114.28 104.69 2wle n THR 209 Ca -0.03 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 2wle n THR 209 Cb 0.08 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 2wle n THR 209 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wle n LEU 210 N -1.44 1.28 -0.27 3.22 4.77 -0.36 -4.54 117.00 119.66 2wle n LEU 210 Ca 0.05 -0.62 0.05 0.00 -0.03 0.00 0.00 56.01 55.46 2wle n LEU 210 Cb 0.18 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 2wle n LEU 210 CO 0.15 0.27 0.77 0.78 -1.33 0.00 0.00 177.39 178.04 2wle h ASN 211 N 0.95 -0.51 0.11 -1.43 -0.26 -1.65 -0.68 115.58 112.10 2wle h ASN 211 Ca 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2wle h ASN 211 Cb 0.52 0.42 0.00 0.00 -1.06 0.00 0.00 38.32 38.20 2wle h ASN 211 CO 0.00 -0.23 0.00 1.05 -1.06 0.00 0.00 177.43 177.19 2wle h GLU 212 N 0.05 0.00 -0.01 0.81 4.11 -1.80 -1.47 114.58 116.27 2wle h GLU 212 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 2wle h GLU 212 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wle h GLU 212 CO -0.75 0.00 -0.59 1.19 0.07 0.00 0.00 179.01 178.93 2wle n PHE 213 N -2.44 0.00 -0.16 2.06 3.01 -0.26 -4.17 117.46 115.50 2wle n PHE 213 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2wle n PHE 213 Cb 0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2wle n PHE 213 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2wle n TYR 214 N -0.72 0.00 -0.18 1.38 4.11 -1.10 -5.03 117.16 115.62 2wle n TYR 214 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2wle n TYR 214 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 2wle n TYR 214 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49