#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 3.59 -0.18 3.17 5.04 -1.26 -2.92 117.35 124.79 2wle s TYR 6 Ca 0.00 1.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.68 2wle s TYR 6 Cb 0.00 -2.42 0.08 0.00 0.35 0.00 0.00 41.96 39.97 2wle s TYR 6 CO 0.00 0.38 0.40 0.45 -1.34 0.00 0.00 175.55 175.44 2wle s SER 7 N -1.77 -0.21 0.10 4.32 0.15 -0.06 -4.95 113.70 111.28 2wle s SER 7 Ca 0.40 0.92 0.09 0.00 0.70 0.00 0.00 55.95 58.07 2wle s SER 7 Cb -0.15 1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 65.31 2wle s SER 7 CO 0.20 -0.23 -0.23 -0.70 1.20 0.00 0.00 173.24 173.48 2wle s GLU 8 N 2.43 1.28 -0.27 5.44 2.12 -1.26 -1.31 118.70 127.13 2wle s GLU 8 Ca -0.02 -1.20 -0.00 0.00 0.36 0.00 0.00 54.97 54.11 2wle s GLU 8 Cb -0.12 -1.61 0.16 0.00 0.26 0.00 0.00 34.13 32.82 2wle s GLU 8 CO -0.12 0.38 0.44 -1.14 -0.54 0.00 0.00 175.26 174.28 2wle s GLN 9 N -1.84 0.42 0.00 4.30 2.00 -0.44 -4.98 119.66 119.11 2wle s GLN 9 Ca 0.09 0.45 0.00 0.00 -2.00 0.00 0.00 55.36 53.90 2wle s GLN 9 Cb -0.10 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.50 2wle s GLN 9 CO 0.04 -0.82 0.00 0.41 -0.50 0.00 0.00 175.29 174.42 2wle n GLY 10 N 5.37 0.32 3.38 2.59 0.00 -1.26 -1.53 105.19 114.06 2wle n GLY 10 Ca -0.01 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.59 2.34 -1.34 -0.61 1.01 -1.22 -4.73 121.20 115.06 2wle s ILE 11 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 2wle s ILE 11 Cb 0.00 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.54 2wle s ILE 11 CO 0.00 0.33 0.73 0.59 0.00 0.00 0.00 174.94 176.59 2wle n ASN 12 N 1.61 -1.67 -4.72 3.58 5.03 -1.26 -1.84 115.26 115.98 2wle n ASN 12 Ca -0.17 -0.82 -0.36 0.00 0.87 0.00 0.00 54.58 54.11 2wle n ASN 12 Cb 0.52 -3.99 -0.08 0.00 -1.02 0.00 0.00 39.78 35.21 2wle n ASN 12 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2wle s ASN 13 N -4.21 6.25 -0.24 6.41 0.01 -1.26 -2.56 114.94 119.35 2wle s ASN 13 Ca 0.10 0.28 -0.06 0.00 -0.71 0.00 0.00 52.86 52.48 2wle s ASN 13 Cb -0.05 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 2wle s ASN 13 CO 0.82 0.13 0.02 -0.89 -1.51 0.00 0.00 177.10 175.67 2wle s THR 14 N 0.53 3.91 -0.32 1.60 2.01 0.30 -4.97 115.64 118.69 2wle s THR 14 Ca 0.10 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2wle s THR 14 Cb -0.12 -2.81 0.10 0.00 0.01 0.00 0.00 72.50 69.68 2wle s THR 14 CO 0.01 0.38 0.07 -0.63 -0.69 0.00 0.00 174.62 173.75 2wle s ILE 15 N 1.54 1.51 -0.31 1.82 1.01 -1.26 -0.28 121.20 125.24 2wle s ILE 15 Ca 0.06 -1.81 -0.01 0.00 0.00 0.00 0.00 60.65 58.89 2wle s ILE 15 Cb -0.15 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.26 2wle s ILE 15 CO 0.01 -0.62 0.01 0.54 0.00 0.00 0.00 174.94 174.87 2wle s ASN 16 N 1.30 4.87 -0.29 3.58 4.22 -0.42 -4.99 114.94 123.20 2wle s ASN 16 Ca 0.10 -1.41 -0.06 0.00 -2.14 0.00 0.00 52.86 49.35 2wle s ASN 16 Cb -0.18 -1.70 0.01 0.00 1.28 0.00 0.00 41.25 40.66 2wle s ASN 16 CO -0.17 -0.29 0.07 -0.63 -2.04 0.00 0.00 177.10 174.04 2wle s ILE 17 N 1.20 3.89 0.33 0.54 1.01 -1.26 -1.42 121.20 125.50 2wle s ILE 17 Ca -0.04 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 2wle s ILE 17 Cb -0.20 -2.99 -0.13 0.00 0.01 0.00 0.00 42.46 39.15 2wle s ILE 17 CO -0.02 0.10 1.03 -1.20 0.00 0.00 0.00 174.94 174.85 2wle n SER 18 N 4.85 1.40 0.00 3.58 7.64 -0.88 -4.83 113.62 125.38 2wle n SER 18 Ca -0.15 1.14 0.11 0.00 1.01 0.00 0.00 58.87 60.98 2wle n SER 18 Cb 0.48 -1.32 0.58 0.00 -1.01 0.00 0.00 64.21 62.93 2wle n SER 18 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2wle n THR 19 N 0.02 0.24 1.02 0.44 5.66 -1.26 -2.30 114.28 118.10 2wle n THR 19 Ca 0.09 0.06 0.11 0.00 -3.05 0.00 0.00 64.05 61.26 2wle n THR 19 Cb 0.35 -0.71 0.05 0.00 -1.55 0.00 0.00 70.33 68.47 2wle n THR 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wle n THR 20 N -1.20 0.00 -3.40 1.09 -2.24 -1.26 -4.95 114.28 102.32 2wle n THR 20 Ca 0.12 -0.29 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 2wle n THR 20 Cb 0.14 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.39 6.38 -0.09 3.42 0.01 -0.97 -4.09 113.70 115.97 2wle s SER 21 Ca 0.21 0.58 0.01 0.00 1.31 0.00 0.00 55.95 58.06 2wle s SER 21 Cb 0.19 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 2wle s SER 21 CO 0.52 -0.21 -0.11 -0.76 0.41 0.00 0.00 173.24 173.09 2wle s LEU 22 N -3.77 2.89 -0.05 2.44 1.43 0.17 -4.92 118.68 116.87 2wle s LEU 22 Ca 0.42 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2wle s LEU 22 Cb -0.10 -1.63 0.11 0.00 0.03 0.00 0.00 46.19 44.59 2wle s LEU 22 CO 0.32 0.27 0.98 0.35 0.23 0.00 0.00 176.35 178.50 2wle n THR 23 N 2.81 0.91 -1.10 5.49 -2.24 -1.26 0.49 114.28 119.37 2wle n THR 23 Ca -0.18 -1.05 -0.43 0.00 -2.27 0.00 0.00 64.05 60.12 2wle n THR 23 Cb 0.53 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 2wle n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2wle n ASN 24 N -0.64 0.05 -0.69 3.42 2.85 -1.26 -1.09 115.26 117.90 2wle n ASN 24 Ca 0.06 0.85 -0.09 0.00 -0.11 0.00 0.00 54.58 55.29 2wle n ASN 24 Cb 0.56 -0.67 -0.04 0.00 1.24 0.00 0.00 39.78 40.87 2wle n ASN 24 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wle n ALA 25 N 1.20 -0.14 -2.62 5.20 0.00 -1.26 -1.15 120.51 121.75 2wle n ALA 25 Ca 0.15 0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 2wle n ALA 25 Cb 0.05 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.80 5.12 -0.15 0.00 2.01 -0.25 -3.85 115.64 116.73 2wle s THR 26 Ca 0.00 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.22 2wle s THR 26 Cb 0.00 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2wle s THR 26 CO 0.00 0.10 -0.22 -1.58 -0.69 0.00 0.00 174.62 172.24 2wle s GLN 27 N -2.44 3.01 -0.19 4.92 0.74 0.27 -4.57 119.66 121.40 2wle s GLN 27 Ca 0.39 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.96 2wle s GLN 27 Cb -0.13 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 31.54 2wle s GLN 27 CO 0.22 -0.06 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.55 2wle s LEU 28 N 0.92 2.32 -0.11 3.68 2.96 -1.15 -0.49 118.68 126.81 2wle s LEU 28 Ca -0.04 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 2wle s LEU 28 Cb -0.15 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.05 2wle s LEU 28 CO -0.04 -0.02 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.85 2wle s THR 29 N 1.28 2.00 -0.25 3.68 2.01 -0.19 -0.88 115.64 123.29 2wle s THR 29 Ca 0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 2wle s THR 29 Cb -0.14 -1.75 0.07 0.00 0.01 0.00 0.00 72.50 70.69 2wle s THR 29 CO -0.12 0.54 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 2wle s VAL 30 N 0.53 1.25 -0.27 3.82 1.01 -0.43 -0.68 120.40 125.62 2wle s VAL 30 Ca -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.59 2wle s VAL 30 Cb -0.17 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2wle s VAL 30 CO 0.05 -0.28 -0.00 -0.63 0.00 0.00 0.00 175.10 174.24 2wle s ILE 31 N 1.50 3.30 -2.63 2.22 -1.09 -0.03 -1.33 121.20 123.12 2wle s ILE 31 Ca -0.00 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 2wle s ILE 31 Cb -0.18 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 2wle s ILE 31 CO -0.10 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2wle n GLY 32 N 4.74 0.76 3.06 6.18 0.00 -0.58 -0.15 105.19 119.20 2wle n GLY 32 Ca -0.15 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 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 0.39 -1.57 1.61 0.01 -0.65 -3.36 114.94 107.36 2wle s ASN 33 Ca 0.00 -0.82 -0.14 0.00 -0.71 0.00 0.00 52.86 51.19 2wle s ASN 33 Cb 0.00 0.17 0.10 0.00 0.41 0.00 0.00 41.25 41.94 2wle s ASN 33 CO 0.00 -0.51 0.88 0.59 -1.51 0.00 0.00 177.10 176.56 2wle n ASN 34 N 0.59 -3.95 -4.83 -1.22 4.13 -0.77 -1.48 115.26 107.73 2wle n ASN 34 Ca -0.17 -0.87 -0.28 0.00 1.68 0.00 0.00 54.58 54.95 2wle n ASN 34 Cb 0.59 -3.49 -0.05 0.00 -1.54 0.00 0.00 39.78 35.29 2wle n ASN 34 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2wle s ASN 35 N -3.40 5.77 -0.05 6.41 0.01 -1.23 -2.33 114.94 120.11 2wle s ASN 35 Ca 0.63 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 2wle s ASN 35 Cb -0.33 -1.59 0.02 0.00 0.41 0.00 0.00 41.25 39.76 2wle s ASN 35 CO 0.86 0.10 -0.06 -0.94 -1.51 0.00 0.00 177.10 175.55 2wle s SER 36 N -2.93 1.11 -0.12 -1.22 1.04 -0.55 -0.54 113.70 110.49 2wle s SER 36 Ca 0.32 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.59 2wle s SER 36 Cb -0.11 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 2wle s SER 36 CO 0.25 -0.03 -0.14 -0.69 0.98 0.00 0.00 173.24 173.61 2wle s VAL 37 N 0.80 2.95 -0.07 5.02 1.01 0.62 -1.12 120.40 129.60 2wle s VAL 37 Ca -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2wle s VAL 37 Cb -0.14 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2wle s VAL 37 CO 0.01 0.53 -0.02 -0.47 0.00 0.00 0.00 175.10 175.15 2wle s TYR 38 N 0.24 0.85 0.34 5.22 5.04 -0.18 -1.30 117.35 127.56 2wle s TYR 38 Ca -0.10 -0.29 0.04 0.00 -2.44 0.00 0.00 57.07 54.29 2wle s TYR 38 Cb -0.16 -0.86 -0.03 0.00 0.35 0.00 0.00 41.96 41.26 2wle s TYR 38 CO 0.06 -0.33 0.17 0.42 -1.34 0.00 0.00 175.55 174.52 2wle s ILE 39 N 1.69 0.36 0.10 3.14 1.01 -0.51 -0.87 121.20 126.12 2wle s ILE 39 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.66 2wle s ILE 39 Cb -0.13 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2wle s ILE 39 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.50 2wle n GLY 40 N -0.69 -2.17 3.98 6.18 0.00 -1.25 -2.08 105.19 109.14 2wle n GLY 40 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 2wle n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle s ASN 41 N -5.34 6.04 -1.55 1.61 2.20 -1.26 -3.89 114.94 112.75 2wle s ASN 41 Ca 0.00 -0.02 -0.05 0.00 -0.94 0.00 0.00 52.86 51.85 2wle s ASN 41 Cb 0.00 -1.47 0.01 0.00 -2.00 0.00 0.00 41.25 37.79 2wle s ASN 41 CO 0.00 -0.39 0.66 0.59 -2.94 0.00 0.00 177.10 175.02 2wle n ASN 42 N -1.67 -6.18 -4.90 3.54 5.03 -1.26 -0.93 115.26 108.90 2wle n ASN 42 Ca -0.02 -0.31 -0.34 0.00 0.87 0.00 0.00 54.58 54.78 2wle n ASN 42 Cb 0.58 -4.98 -0.05 0.00 -1.02 0.00 0.00 39.78 34.31 2wle n ASN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wle s LYS 44 N -1.90 1.67 -0.46 0.00 1.02 -0.34 0.44 119.74 120.16 2wle s LYS 44 Ca 0.28 -1.63 0.03 0.00 0.02 0.00 0.00 55.97 54.67 2wle s LYS 44 Cb -0.13 -3.01 0.12 0.00 -0.52 0.00 0.00 37.83 34.29 2wle s LYS 44 CO 0.18 -0.81 0.20 0.42 -0.92 0.00 0.00 175.35 174.42 2wle s ILE 45 N 1.03 2.63 0.11 2.17 1.01 0.18 0.23 121.20 128.56 2wle s ILE 45 Ca 0.04 -2.88 0.10 0.00 0.00 0.00 0.00 60.65 57.91 2wle s ILE 45 Cb -0.19 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2wle s ILE 45 CO -0.08 -0.73 -0.25 -0.69 0.00 0.00 0.00 174.94 173.19 2wle s VAL 46 N 0.22 2.35 -1.63 2.92 1.01 -0.22 -4.00 120.40 121.05 2wle s VAL 46 Ca 0.14 -1.65 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 2wle s VAL 46 Cb -0.23 -2.03 0.17 0.00 0.00 0.00 0.00 36.38 34.30 2wle s VAL 46 CO -0.03 0.14 0.63 -1.20 0.00 0.00 0.00 175.10 174.64 2wle n SER 47 N 1.04 -2.62 -4.75 3.32 7.64 -0.30 -1.82 113.62 116.12 2wle n SER 47 Ca -0.17 -0.95 -0.23 0.00 1.01 0.00 0.00 58.87 58.53 2wle n SER 47 Cb 0.53 -2.20 -0.06 0.00 -1.01 0.00 0.00 64.21 61.46 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 -3.13 4.76 -0.26 6.43 0.01 -1.26 -3.18 113.70 117.08 2wle s SER 48 Ca 0.71 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 2wle s SER 48 Cb -0.40 -0.75 0.08 0.00 0.21 0.00 0.00 66.02 65.16 2wle s SER 48 CO 0.87 -0.32 0.06 0.21 0.41 0.00 0.00 173.24 174.47 2wle s ASN 49 N -3.87 3.62 -0.14 2.44 3.84 0.39 -0.57 114.94 120.65 2wle s ASN 49 Ca 0.38 -1.30 0.01 0.00 0.21 0.00 0.00 52.86 52.17 2wle s ASN 49 Cb -0.03 -0.80 -0.00 0.00 -0.55 0.00 0.00 41.25 39.87 2wle s ASN 49 CO 0.23 -0.36 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.38 2wle s ILE 50 N 1.68 2.52 -0.11 -5.21 1.01 0.36 -0.73 121.20 120.72 2wle s ILE 50 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2wle s ILE 50 Cb -0.17 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.27 2wle s ILE 50 CO -0.17 0.53 -0.09 -0.60 0.00 0.00 0.00 174.94 174.61 2wle s ARG 51 N 0.72 1.62 -0.19 2.79 3.52 0.75 -1.02 118.95 127.14 2wle s ARG 51 Ca -0.08 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2wle s ARG 51 Cb -0.16 -1.60 0.01 0.00 -1.56 0.00 0.00 34.95 31.64 2wle s ARG 51 CO 0.01 -0.22 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.62 2wle s LEU 52 N 1.53 2.41 -0.19 -0.88 1.02 0.14 -0.19 118.68 122.52 2wle s LEU 52 Ca 0.02 -0.55 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 2wle s LEU 52 Cb -0.13 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.56 2wle s LEU 52 CO -0.07 0.01 -0.02 -0.75 0.02 0.00 0.00 176.35 175.54 2wle s LYS 53 N 1.27 1.16 0.00 1.70 2.20 -0.29 -0.85 119.74 124.92 2wle s LYS 53 Ca 0.04 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2wle s LYS 53 Cb -0.14 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2wle s LYS 53 CO -0.08 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 2wle n GLY 54 N 4.90 0.84 3.46 5.54 0.00 0.78 -2.72 105.19 117.99 2wle n GLY 54 Ca -0.11 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 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 3.70 -1.46 1.61 0.01 -1.26 -1.64 114.94 111.90 2wle s ASN 55 Ca 0.00 -0.69 -0.11 0.00 -0.71 0.00 0.00 52.86 51.36 2wle s ASN 55 Cb 0.00 -0.42 0.05 0.00 0.41 0.00 0.00 41.25 41.29 2wle s ASN 55 CO 0.00 0.15 0.94 0.59 -1.51 0.00 0.00 177.10 177.27 2wle n ASN 56 N 0.54 -5.41 -4.84 -1.22 5.03 -0.55 -0.31 115.26 108.50 2wle n ASN 56 Ca -0.14 -0.59 -0.36 0.00 0.87 0.00 0.00 54.58 54.35 2wle n ASN 56 Cb 0.54 -4.32 -0.06 0.00 -1.02 0.00 0.00 39.78 34.93 2wle n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wle s ILE 57 N -3.25 4.92 -0.13 2.41 1.01 -1.26 -3.52 121.20 121.39 2wle s ILE 57 Ca 0.56 0.83 0.01 0.00 0.00 0.00 0.00 60.65 62.05 2wle s ILE 57 Cb -0.27 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.48 2wle s ILE 57 CO 0.69 0.38 -0.16 0.42 0.00 0.00 0.00 174.94 176.27 2wle s THR 58 N -1.31 1.63 -0.23 2.92 -4.23 -0.06 -1.49 115.64 112.87 2wle s THR 58 Ca 0.32 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2wle s THR 58 Cb -0.16 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2wle s THR 58 CO 0.18 0.47 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.43 2wle s LEU 59 N 1.11 3.01 -0.19 4.79 2.96 -0.27 -0.87 118.68 129.21 2wle s LEU 59 Ca -0.03 -0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 53.16 2wle s LEU 59 Cb -0.14 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.93 2wle s LEU 59 CO -0.04 -0.09 -0.06 0.12 -1.32 0.00 0.00 176.35 174.96 2wle s PHE 60 N 1.37 1.98 -0.23 5.38 5.36 0.18 -1.01 117.98 131.01 2wle s PHE 60 Ca 0.02 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 54.65 2wle s PHE 60 Cb -0.16 -1.43 0.04 0.00 -0.34 0.00 0.00 43.02 41.13 2wle s PHE 60 CO -0.05 -0.68 -0.12 0.42 -1.46 0.00 0.00 175.22 173.33 2wle s ILE 61 N 1.54 2.40 0.95 3.12 1.01 -0.05 -0.60 121.20 129.56 2wle s ILE 61 Ca -0.02 -1.22 -0.16 0.00 0.00 0.00 0.00 60.65 59.26 2wle s ILE 61 Cb -0.17 -2.23 0.23 0.00 0.01 0.00 0.00 42.46 40.31 2wle s ILE 61 CO -0.07 0.21 1.10 0.00 0.00 0.00 0.00 174.94 176.18 2wle n ALA 62 N 4.57 -2.02 -1.06 9.38 0.00 -0.55 -3.96 120.51 126.87 2wle n ALA 62 Ca -0.17 -1.50 -0.33 0.00 0.00 0.00 0.00 53.44 51.44 2wle n ALA 62 Cb 0.46 -0.09 0.13 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.85 3.48 -1.48 0.00 1.01 -1.25 -3.71 116.67 109.87 2wle s ASP 63 Ca 0.65 2.36 -0.07 0.00 0.71 0.00 0.00 52.55 56.21 2wle s ASP 63 Cb -0.03 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2wle s ASP 63 CO 0.47 -2.74 0.83 0.47 0.21 0.00 0.00 175.17 174.41 2wle n ASP 64 N -3.41 -6.08 -4.58 0.27 8.00 -0.10 -2.43 116.55 108.21 2wle n ASP 64 Ca 0.13 -0.40 -0.35 0.00 0.71 0.00 0.00 54.79 54.88 2wle n ASP 64 Cb 0.51 -4.86 -0.11 0.00 -0.02 0.00 0.00 41.12 36.64 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 -3.23 4.56 -0.25 2.53 1.01 -1.24 -1.77 120.40 122.01 2wle s VAL 65 Ca 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2wle s VAL 65 Cb -0.19 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2wle s VAL 65 CO 0.53 0.45 -0.07 -1.61 0.00 0.00 0.00 175.10 174.39 2wle s GLU 66 N 0.55 2.79 -0.05 2.72 2.02 -0.81 -1.20 118.70 124.71 2wle s GLU 66 Ca 0.02 -1.01 0.04 0.00 0.02 0.00 0.00 54.97 54.05 2wle s GLU 66 Cb -0.13 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.13 2wle s GLU 66 CO 0.01 -0.41 -0.19 0.42 0.02 0.00 0.00 175.26 175.12 2wle s ILE 67 N 1.30 1.56 -0.09 -1.63 1.01 0.14 -0.47 121.20 123.02 2wle s ILE 67 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2wle s ILE 67 Cb -0.17 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 40.98 2wle s ILE 67 CO -0.05 0.45 -0.02 -0.32 0.00 0.00 0.00 174.94 174.99 2wle s MET 68 N 0.08 0.92 -0.32 2.79 1.75 -0.50 -1.05 119.30 122.98 2wle s MET 68 Ca -0.06 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 2wle s MET 68 Cb -0.13 -1.22 0.00 0.00 2.84 0.00 0.00 34.83 36.32 2wle s MET 68 CO 0.03 -0.30 0.08 0.41 -0.65 0.00 0.00 175.02 174.58 2wle n GLY 69 N 5.07 0.36 3.73 2.11 0.00 -0.76 -1.69 105.19 114.02 2wle n GLY 69 Ca -0.09 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.51 4.52 -0.21 0.99 2.96 -1.26 -2.31 118.68 121.85 2wle s LEU 70 Ca 0.04 1.78 -0.04 0.00 -0.22 0.00 0.00 54.13 55.68 2wle s LEU 70 Cb -0.02 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2wle s LEU 70 CO 0.05 -0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 2wle s VAL 71 N -0.19 3.48 -0.06 1.68 1.01 0.16 -0.46 120.40 126.02 2wle s VAL 71 Ca 0.45 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2wle s VAL 71 Cb -0.23 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2wle s VAL 71 CO 0.29 0.43 -0.02 0.00 0.00 0.00 0.00 175.10 175.81 2wle s SER 73 N 1.54 2.95 -0.10 0.00 0.15 -0.73 -0.18 113.70 117.34 2wle s SER 73 Ca -0.01 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.09 2wle s SER 73 Cb -0.13 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2wle s SER 73 CO -0.03 0.01 -0.22 -0.76 1.20 0.00 0.00 173.24 173.44 2wle s LEU 74 N 1.18 2.00 0.61 3.45 1.43 0.73 -1.60 118.68 126.49 2wle s LEU 74 Ca 0.01 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2wle s LEU 74 Cb -0.14 -1.31 0.10 0.00 0.03 0.00 0.00 46.19 44.88 2wle s LEU 74 CO -0.08 0.13 0.85 -1.00 0.23 0.00 0.00 176.35 176.47 2wle s HIS 75 N 0.47 1.29 0.28 0.29 3.76 -1.01 -1.14 115.29 119.23 2wle s HIS 75 Ca -0.17 -0.69 -0.29 0.00 -0.15 0.00 0.00 55.06 53.77 2wle s HIS 75 Cb -0.17 -2.32 -0.14 0.00 1.11 0.00 0.00 32.58 31.06 2wle s HIS 75 CO 0.07 -1.32 1.08 0.43 -0.85 0.00 0.00 174.74 174.15 2wle n SER 76 N -2.38 1.53 -1.73 1.40 7.64 -1.10 -2.43 113.62 116.55 2wle n SER 76 Ca 0.16 1.17 -0.19 0.00 1.01 0.00 0.00 58.87 61.03 2wle n SER 76 Cb 0.62 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.34 -5.39 -4.98 6.43 8.00 0.58 -3.93 116.55 118.60 2wle n ASP 77 Ca 0.10 0.30 -0.20 0.00 0.71 0.00 0.00 54.79 55.70 2wle n ASP 77 Cb 0.31 -4.53 -0.01 0.00 -0.02 0.00 0.00 41.12 36.87 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 -4.06 -0.24 -0.18 0.00 1.04 -0.94 -0.88 113.70 108.43 2wle s SER 79 Ca 0.39 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.27 2wle s SER 79 Cb -0.09 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 2wle s SER 79 CO 0.30 -0.11 -0.07 -0.22 0.98 0.00 0.00 173.24 174.13 2wle s LEU 80 N 0.51 2.93 -0.16 2.42 2.96 -0.05 -2.03 118.68 125.26 2wle s LEU 80 Ca -0.03 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2wle s LEU 80 Cb -0.05 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2wle s LEU 80 CO -0.03 0.08 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.83 2wle s GLN 81 N 0.90 2.44 -0.19 1.98 -0.21 -0.62 -0.64 119.66 123.31 2wle s GLN 81 Ca -0.01 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.75 2wle s GLN 81 Cb -0.15 -2.22 0.03 0.00 1.00 0.00 0.00 33.01 31.68 2wle s GLN 81 CO 0.01 -0.24 -0.16 0.42 -2.12 0.00 0.00 175.29 173.20 2wle s ILE 82 N 1.44 1.96 0.73 1.08 1.01 0.23 0.47 121.20 128.12 2wle s ILE 82 Ca 0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 2wle s ILE 82 Cb -0.13 -1.87 0.06 0.00 0.01 0.00 0.00 42.46 40.53 2wle s ILE 82 CO -0.11 0.38 1.05 -1.10 0.00 0.00 0.00 174.94 175.16 2wle s GLN 83 N 1.30 2.20 0.48 2.79 -1.52 0.89 -1.48 119.66 124.31 2wle s GLN 83 Ca 0.02 -0.12 -0.23 0.00 -1.95 0.00 0.00 55.36 53.08 2wle s GLN 83 Cb -0.15 -2.11 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 2wle s GLN 83 CO -0.11 -1.30 1.28 0.00 -0.25 0.00 0.00 175.29 174.92 2wle s ALA 84 N -3.32 2.99 0.00 6.09 0.00 -1.26 -3.04 121.76 123.21 2wle s ALA 84 Ca 0.60 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2wle s ALA 84 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2wle s ALA 84 CO 0.46 -1.00 0.00 1.63 0.00 0.00 0.00 175.76 176.85 2wle n LYS 85 N -0.56 0.00 -2.30 0.00 4.76 -0.73 -1.04 118.16 118.29 2wle n LYS 85 Ca 0.08 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.11 2wle n LYS 85 Cb 0.46 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2wle n LYS 85 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2wle s THR 86 N -3.36 3.16 0.03 -0.18 2.01 -1.17 -4.20 115.64 111.94 2wle s THR 86 Ca 0.00 1.14 0.09 0.00 0.31 0.00 0.00 61.69 63.22 2wle s THR 86 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2wle s THR 86 CO 0.00 0.26 -0.25 0.42 -0.69 0.00 0.00 174.62 174.35 2wle s THR 87 N -0.97 2.19 -0.10 -0.82 -4.23 0.04 -1.93 115.64 109.82 2wle s THR 87 Ca 0.48 -1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2wle s THR 87 Cb -0.35 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.69 2wle s THR 87 CO 0.45 0.41 0.24 -0.04 -0.54 0.00 0.00 174.62 175.14 2wle s MET 88 N -1.14 0.21 0.00 3.99 -1.94 0.38 -1.07 119.30 119.73 2wle s MET 88 Ca 0.12 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 2wle s MET 88 Cb -0.10 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.63 2wle s MET 88 CO 0.02 -0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 2wle n GLY 89 N 4.17 0.87 3.76 -0.03 0.00 0.25 -1.41 105.19 112.82 2wle n GLY 89 Ca -0.25 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 6.57 0.00 1.61 0.02 -0.68 -4.27 114.94 117.19 2wle s ASN 90 Ca 0.00 2.82 0.00 0.00 -1.02 0.00 0.00 52.86 54.66 2wle s ASN 90 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.62 2wle s ASN 90 CO 0.00 -0.72 0.00 0.61 0.02 0.00 0.00 177.10 177.01 2wle n GLY 91 N 1.21 -1.56 2.88 0.66 0.00 -0.98 0.10 105.19 107.50 2wle n GLY 91 Ca 0.03 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 2wle n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wle s GLU 92 N -1.35 0.13 -0.08 1.61 2.02 -0.61 -0.66 118.70 119.76 2wle s GLU 92 Ca 0.00 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 54.98 2wle s GLU 92 Cb 0.00 -0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.08 2wle s GLU 92 CO 0.00 -0.00 -0.09 0.42 0.02 0.00 0.00 175.26 175.60 2wle s ILE 93 N 0.17 0.99 -0.10 -1.63 1.01 -0.69 -0.43 121.20 120.52 2wle s ILE 93 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2wle s ILE 93 Cb -0.03 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2wle s ILE 93 CO -0.00 0.33 -0.17 -0.89 0.00 0.00 0.00 174.94 174.21 2wle s THR 94 N 1.04 1.56 -0.05 2.92 2.01 -0.31 -1.77 115.64 121.05 2wle s THR 94 Ca -0.08 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2wle s THR 94 Cb -0.15 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2wle s THR 94 CO -0.00 0.45 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.61 2wle s ILE 95 N 0.72 1.17 0.03 1.82 1.01 -0.63 -2.98 121.20 122.35 2wle s ILE 95 Ca -0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 2wle s ILE 95 Cb -0.16 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.28 2wle s ILE 95 CO 0.03 0.35 0.05 0.00 0.00 0.00 0.00 174.94 175.37 2wle n ALA 96 N 3.44 -0.05 -3.02 9.38 0.00 -1.26 -2.40 120.51 126.60 2wle n ALA 96 Ca -0.20 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 2wle n ALA 96 Cb 0.53 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.06 -3.97 -3.87 0.00 1.02 -1.26 -2.65 120.64 109.85 2wle n GLU 97 Ca -0.00 0.77 -0.28 0.00 -0.02 0.00 0.00 57.16 57.63 2wle n GLU 97 Cb 0.06 -5.55 0.02 0.00 -0.02 0.00 0.00 31.44 25.95 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 -3.76 -5.13 -1.43 3.49 5.02 -1.25 -4.95 118.16 110.15 2wle n LYS 98 Ca -0.10 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2wle n LYS 98 Cb 0.60 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 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 -1.67 3.63 2.93 0.72 0.00 -1.08 -4.78 105.19 104.95 2wle n GLY 99 Ca -0.08 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2wle n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle s LYS 100 N -1.55 0.24 -0.08 1.61 1.02 -1.26 -2.22 119.74 117.51 2wle s LYS 100 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 55.82 2wle s LYS 100 Cb 0.00 -0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.14 2wle s LYS 100 CO 0.00 0.04 -0.18 0.42 -0.92 0.00 0.00 175.35 174.72 2wle s ILE 101 N -0.33 1.55 -0.03 2.17 1.01 -0.86 -1.90 121.20 122.81 2wle s ILE 101 Ca -0.02 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2wle s ILE 101 Cb -0.03 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 2wle s ILE 101 CO -0.00 0.45 -0.19 -0.94 0.00 0.00 0.00 174.94 174.26 2wle s SER 102 N 0.47 2.29 -0.15 3.58 1.04 -0.67 -1.59 113.70 118.67 2wle s SER 102 Ca -0.16 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.93 2wle s SER 102 Cb -0.16 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.52 2wle s SER 102 CO 0.06 0.20 -0.21 -0.63 0.98 0.00 0.00 173.24 173.64 2wle s ILE 103 N -0.21 2.02 0.35 -1.02 1.01 0.18 -0.57 121.20 122.95 2wle s ILE 103 Ca 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2wle s ILE 103 Cb -0.10 -1.81 0.09 0.00 0.01 0.00 0.00 42.46 40.65 2wle s ILE 103 CO 0.01 0.54 0.33 0.61 0.00 0.00 0.00 174.94 176.43 2wle n GLY 104 N 4.30 -2.40 3.77 6.18 0.00 0.46 -0.08 105.19 117.42 2wle n GLY 104 Ca -0.20 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.74 4.30 -1.38 1.61 1.02 -1.26 -3.75 119.74 116.54 2wle s LYS 105 Ca 0.21 1.72 -0.09 0.00 0.02 0.00 0.00 55.97 57.83 2wle s LYS 105 Cb -0.02 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2wle s LYS 105 CO 0.16 -0.07 1.16 -3.47 -0.92 0.00 0.00 175.35 172.21 2wle n ASP 106 N 0.42 -6.15 -4.89 2.83 2.03 -0.21 0.71 116.55 111.28 2wle n ASP 106 Ca 0.03 -0.57 -0.29 0.00 0.52 0.00 0.00 54.79 54.48 2wle n ASP 106 Cb 0.47 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 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 -4.89 0.83 -0.35 0.00 1.75 0.32 -0.78 119.30 116.17 2wle s MET 108 Ca 0.50 -0.97 -0.08 0.00 -1.25 0.00 0.00 55.69 53.89 2wle s MET 108 Cb -0.11 -2.12 0.04 0.00 2.84 0.00 0.00 34.83 35.48 2wle s MET 108 CO 0.48 -0.88 0.14 -0.51 -0.65 0.00 0.00 175.02 173.61 2wle s LEU 109 N 1.61 4.50 0.73 4.11 1.02 -0.23 -1.08 118.68 129.34 2wle s LEU 109 Ca 0.06 -1.13 -0.11 0.00 0.02 0.00 0.00 54.13 52.97 2wle s LEU 109 Cb -0.17 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.15 2wle s LEU 109 CO -0.19 -0.36 1.07 0.00 0.02 0.00 0.00 176.35 176.89 2wle s ALA 110 N 1.44 2.50 0.34 4.21 0.00 -0.59 -0.58 121.76 129.09 2wle s ALA 110 Ca -0.00 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 2wle s ALA 110 Cb -0.20 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2wle s ALA 110 CO 0.04 -1.43 0.61 0.72 0.00 0.00 0.00 175.76 175.70 2wle n HIS 111 N -3.26 -0.23 -0.17 0.00 8.25 -1.26 -3.50 115.22 115.05 2wle n HIS 111 Ca 0.07 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 2wle n HIS 111 Cb 0.54 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.63 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 1.75 0.73 3.76 -1.41 0.00 0.12 -1.28 105.19 108.87 2wle n GLY 112 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.19 2.56 -0.10 1.61 1.13 -1.21 -3.88 117.35 115.27 2wle s TYR 113 Ca 0.00 1.52 -0.03 0.00 -1.41 0.00 0.00 57.07 57.15 2wle s TYR 113 Cb 0.00 -3.43 0.04 0.00 -1.10 0.00 0.00 41.96 37.47 2wle s TYR 113 CO 0.00 -1.95 0.05 -2.00 -2.51 0.00 0.00 175.55 169.14 2wle s GLU 114 N -3.16 0.23 -0.06 -3.49 2.12 -0.55 -1.57 118.70 112.22 2wle s GLU 114 Ca 0.73 0.10 0.03 0.00 0.36 0.00 0.00 54.97 56.20 2wle s GLU 114 Cb -0.29 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 32.98 2wle s GLU 114 CO 0.33 -0.44 -0.15 0.42 -0.54 0.00 0.00 175.26 174.88 2wle s ILE 115 N 2.07 1.33 -0.05 -3.70 1.01 0.42 -0.35 121.20 121.94 2wle s ILE 115 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 2wle s ILE 115 Cb -0.14 -1.17 0.05 0.00 0.01 0.00 0.00 42.46 41.21 2wle s ILE 115 CO -0.06 0.39 0.51 0.00 0.00 0.00 0.00 174.94 175.78 2wle s ARG 116 N 0.37 0.84 0.00 2.79 1.70 -0.76 -1.16 118.95 122.74 2wle s ARG 116 Ca -0.11 0.12 0.20 0.00 -0.47 0.00 0.00 55.73 55.48 2wle s ARG 116 Cb -0.14 0.39 0.51 0.00 -0.57 0.00 0.00 34.95 35.14 2wle s ARG 116 CO 0.04 -0.24 1.43 0.27 -1.08 0.00 0.00 175.30 175.72 2wle n ASN 117 N 1.27 3.58 -3.77 -2.89 6.94 -1.16 -2.33 115.26 116.91 2wle n ASN 117 Ca -0.20 -1.98 -0.12 0.00 -0.02 0.00 0.00 54.58 52.26 2wle n ASN 117 Cb 0.56 -0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 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 -1.12 0.07 -0.74 5.53 -1.32 -1.26 -1.52 115.64 115.28 2wle s THR 118 Ca 0.41 -0.60 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 2wle s THR 118 Cb 0.22 -0.77 -0.07 0.00 -1.51 0.00 0.00 72.50 70.37 2wle s THR 118 CO 0.29 -0.33 1.15 0.47 -2.21 0.00 0.00 174.62 173.99 2wle n ASP 119 N 0.94 0.63 0.00 8.08 8.00 -1.26 -4.87 116.55 128.08 2wle n ASP 119 Ca -0.20 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.07 2wle n ASP 119 Cb 0.58 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 2wle n ASP 119 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2wle n MET 120 N -1.84 0.00 -3.82 -1.24 2.81 -1.26 -4.94 117.12 106.84 2wle n MET 120 Ca 0.03 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 2wle n MET 120 Cb 0.41 -2.49 -0.09 0.00 -0.71 0.00 0.00 33.22 30.33 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 -2.76 -0.06 0.27 2.03 3.76 -1.26 -5.16 115.29 112.11 2wle s HIS 121 Ca 0.00 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.67 2wle s HIS 121 Cb 0.00 0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.62 2wle s HIS 121 CO 0.00 -0.35 0.93 -1.25 -0.85 0.00 0.00 174.74 173.22 2wle s PRO 122 N -1.45 4.73 -0.13 8.40 0.04 -1.26 -5.01 135.00 140.32 2wle s PRO 122 Ca -0.14 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2wle s PRO 122 Cb -0.06 -3.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 2wle s PRO 122 CO 0.02 0.43 -0.18 0.42 0.04 0.00 0.00 177.00 177.73 2wle s ILE 123 N -1.35 2.49 0.13 0.56 1.01 -1.26 -5.08 121.20 117.70 2wle s ILE 123 Ca 0.44 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2wle s ILE 123 Cb -0.23 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2wle s ILE 123 CO 0.28 0.54 -0.05 -0.31 0.00 0.00 0.00 174.94 175.40 2wle s TYR 124 N 0.53 2.81 -0.00 3.97 2.02 -1.26 -1.46 117.35 123.96 2wle s TYR 124 Ca -0.12 -0.13 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2wle s TYR 124 Cb -0.16 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2wle s TYR 124 CO 0.04 0.47 0.92 0.45 -1.57 0.00 0.00 175.55 175.87 2wle s SER 125 N -2.49 7.30 0.56 2.29 0.15 0.51 -4.92 113.70 117.11 2wle s SER 125 Ca 0.24 1.58 0.36 0.00 0.70 0.00 0.00 55.95 58.83 2wle s SER 125 Cb -0.11 -2.54 1.74 0.00 -1.71 0.00 0.00 66.02 63.40 2wle s SER 125 CO 0.16 -0.21 2.09 -0.07 1.20 0.00 0.00 173.24 176.41 2wle h LEU 126 N 6.67 0.00 -0.14 3.45 4.07 -1.94 0.29 115.31 127.71 2wle h LEU 126 Ca -0.41 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.42 2wle h LEU 126 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2wle h LEU 126 CO 0.75 0.00 -0.42 -0.08 -1.08 0.00 0.00 178.44 177.61 2wle h GLU 127 N 0.00 0.52 0.00 1.13 4.81 -1.97 -3.39 114.58 115.69 2wle h GLU 127 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2wle h GLU 127 Cb 0.27 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2wle h GLU 127 CO 0.00 1.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.55 2wle n ASN 128 N -4.28 0.41 0.00 1.04 0.23 -1.21 -5.02 115.26 106.43 2wle n ASN 128 Ca -0.07 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 2wle n ASN 128 Cb 0.55 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.04 0.88 3.83 4.83 0.00 0.10 -5.00 105.19 109.88 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 -0.10 4.09 0.27 1.61 0.41 -1.25 -4.64 118.70 119.10 2wle s GLU 130 Ca 0.00 0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 55.23 2wle s GLU 130 Cb 0.00 -2.21 -0.09 0.00 -1.78 0.00 0.00 34.13 30.04 2wle s GLU 130 CO 0.00 -0.07 1.10 0.50 -0.49 0.00 0.00 175.26 176.30 2wle s ARG 131 N -3.45 4.63 0.00 1.61 3.52 -1.26 -0.36 118.95 123.64 2wle s ARG 131 Ca 0.59 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 2wle s ARG 131 Cb -0.09 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2wle s ARG 131 CO 0.20 0.20 0.73 0.44 -0.81 0.00 0.00 175.30 176.05 2wle n ILE 132 N 1.27 0.51 -2.50 4.11 -5.35 -0.53 -4.75 119.36 112.12 2wle n ILE 132 Ca -0.01 -0.55 -0.18 0.00 -0.27 0.00 0.00 62.75 61.75 2wle n ILE 132 Cb 0.45 0.80 0.02 0.00 -1.74 0.00 0.00 39.64 39.17 2wle n ILE 132 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2wle n ASN 133 N -0.25 3.38 -4.72 7.28 6.94 -1.25 -5.03 115.26 121.60 2wle n ASN 133 Ca 0.00 -3.21 -0.38 0.00 -0.02 0.00 0.00 54.58 50.97 2wle n ASN 133 Cb 0.32 -0.46 0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 -0.41 1.97 -1.48 -2.53 8.25 -1.26 -4.74 115.22 115.01 2wle n HIS 134 Ca 0.27 0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 57.81 2wle n HIS 134 Cb 0.78 -2.29 0.09 0.00 1.12 0.00 0.00 29.99 29.69 2wle n HIS 134 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wle s GLY 135 N -1.21 2.36 -0.10 -1.41 0.00 -1.26 -4.99 107.32 100.71 2wle s GLY 135 Ca 0.78 0.87 -0.09 0.00 0.00 0.00 0.00 44.72 46.28 2wle s GLY 135 CO 0.44 1.27 0.27 0.54 0.00 0.00 0.00 173.10 175.62 2wle s LYS 136 N -3.89 0.31 0.41 2.90 1.02 -0.57 -4.99 119.74 114.92 2wle s LYS 136 Ca 0.74 0.40 -0.25 0.00 0.02 0.00 0.00 55.97 56.88 2wle s LYS 136 Cb -0.29 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.04 2wle s LYS 136 CO 0.44 -0.05 1.07 -0.25 -0.92 0.00 0.00 175.35 175.65 2wle n ASP 137 N 3.06 1.58 -4.53 2.83 10.43 -1.26 -0.80 116.55 127.86 2wle n ASP 137 Ca -0.14 1.07 -0.34 0.00 2.57 0.00 0.00 54.79 57.95 2wle n ASP 137 Cb 0.58 -1.38 -0.11 0.00 1.84 0.00 0.00 41.12 42.04 2wle n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wle s VAL 138 N -1.23 4.20 -0.18 2.53 1.01 -0.80 -2.87 120.40 123.05 2wle s VAL 138 Ca 0.62 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2wle s VAL 138 Cb -0.56 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2wle s VAL 138 CO 0.57 0.46 -0.18 -0.63 0.00 0.00 0.00 175.10 175.33 2wle s ILE 139 N 0.54 1.92 -0.22 2.22 1.01 -1.00 -1.67 121.20 124.00 2wle s ILE 139 Ca -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2wle s ILE 139 Cb -0.14 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2wle s ILE 139 CO 0.02 0.47 -0.07 -0.63 0.00 0.00 0.00 174.94 174.73 2wle s ILE 140 N 1.34 3.06 0.98 2.92 1.01 0.26 -0.67 121.20 130.11 2wle s ILE 140 Ca 0.04 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 2wle s ILE 140 Cb -0.13 -2.42 0.24 0.00 0.01 0.00 0.00 42.46 40.15 2wle s ILE 140 CO -0.12 0.38 0.92 0.61 0.00 0.00 0.00 174.94 176.73 2wle n GLY 141 N 4.74 -2.55 3.77 6.18 0.00 0.35 -0.40 105.19 117.28 2wle n GLY 141 Ca -0.18 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2wle n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 142 N -4.06 6.76 -1.11 1.61 0.01 -1.26 -3.42 114.94 113.47 2wle s ASN 142 Ca 0.59 2.15 -0.09 0.00 -0.71 0.00 0.00 52.86 54.80 2wle s ASN 142 Cb -0.05 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 2wle s ASN 142 CO 0.44 -0.50 0.88 1.57 -1.51 0.00 0.00 177.10 177.99 2wle n HIS 143 N 0.14 -2.26 -4.66 2.20 -0.00 0.22 -0.70 115.22 110.15 2wle n HIS 143 Ca 0.04 0.77 -0.33 0.00 0.46 0.00 0.00 57.72 58.66 2wle n HIS 143 Cb 0.48 -4.08 -0.13 0.00 -0.12 0.00 0.00 29.99 26.14 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 -3.43 3.42 -0.28 3.57 1.01 -1.26 -1.43 120.40 122.01 2wle s VAL 144 Ca 0.38 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2wle s VAL 144 Cb -0.08 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2wle s VAL 144 CO 0.77 0.54 -0.01 0.86 0.00 0.00 0.00 175.10 177.27 2wle s TRP 145 N -0.08 3.15 -0.31 5.22 -0.00 -0.64 -0.52 118.94 125.74 2wle s TRP 145 Ca -0.00 -1.51 -0.15 0.00 -0.00 0.00 0.00 56.10 54.44 2wle s TRP 145 Cb -0.14 -2.13 -0.02 0.00 -0.00 0.00 0.00 33.47 31.19 2wle s TRP 145 CO 0.03 -0.72 0.37 -0.51 -0.00 0.00 0.00 176.95 176.12 2wle s LEU 146 N 1.35 4.27 1.41 5.86 1.43 -0.24 -0.56 118.68 132.19 2wle s LEU 146 Ca -0.01 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.84 2wle s LEU 146 Cb -0.18 -2.38 0.36 0.00 0.03 0.00 0.00 46.19 44.03 2wle s LEU 146 CO -0.02 -0.28 0.95 -0.83 0.23 0.00 0.00 176.35 176.40 2wle s GLY 147 N 1.71 1.43 0.39 -3.19 0.00 0.23 -1.54 107.32 106.34 2wle s GLY 147 Ca 0.13 -0.87 -0.26 0.00 0.00 0.00 0.00 44.72 43.72 2wle s GLY 147 CO 0.11 0.14 1.20 0.54 0.00 0.00 0.00 173.10 175.08 2wle n ARG 148 N -5.56 1.80 -3.86 2.90 5.12 -1.26 -3.62 116.66 112.18 2wle n ARG 148 Ca 0.13 0.64 -0.24 0.00 -1.93 0.00 0.00 57.85 56.45 2wle n ARG 148 Cb 0.60 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 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 0.52 -0.94 -4.85 0.55 4.13 -0.40 0.14 115.26 114.40 2wle n ASN 149 Ca 0.07 -0.92 -0.36 0.00 1.68 0.00 0.00 54.58 55.05 2wle n ASN 149 Cb 0.38 -3.47 -0.06 0.00 -1.54 0.00 0.00 39.78 35.09 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 -3.79 5.03 -0.14 2.41 1.01 -1.24 -3.23 120.40 120.45 2wle s VAL 150 Ca 0.06 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2wle s VAL 150 Cb -0.03 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wle s VAL 150 CO 0.86 0.38 -0.21 -0.89 0.00 0.00 0.00 175.10 175.24 2wle s THR 151 N -1.30 1.98 -0.25 3.92 2.01 -0.61 -1.49 115.64 119.90 2wle s THR 151 Ca 0.31 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.39 2wle s THR 151 Cb -0.15 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.64 2wle s THR 151 CO 0.17 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.90 2wle s ILE 152 N 0.94 2.43 0.46 1.82 -1.09 0.53 -0.82 121.20 125.47 2wle s ILE 152 Ca -0.04 -1.34 0.07 0.00 -2.23 0.00 0.00 60.65 57.10 2wle s ILE 152 Cb -0.15 -2.32 0.07 0.00 -1.58 0.00 0.00 42.46 38.49 2wle s ILE 152 CO -0.04 0.11 0.61 0.18 -1.23 0.00 0.00 174.94 174.56 2wle n LEU 153 N 4.55 0.00 -4.77 2.97 4.77 -0.97 -1.83 117.00 121.71 2wle n LEU 153 Ca -0.16 -2.00 -0.40 0.00 -0.03 0.00 0.00 56.01 53.42 2wle n LEU 153 Cb 0.45 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2wle n LEU 153 CO 0.24 -0.66 1.04 -1.59 -1.33 0.00 0.00 177.39 175.09 2wle s LYS 154 N -4.05 4.10 0.00 3.23 -2.85 -0.99 -2.81 119.74 116.38 2wle s LYS 154 Ca 0.46 2.34 0.00 0.00 -1.00 0.00 0.00 55.97 57.77 2wle s LYS 154 Cb -0.04 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 2wle s LYS 154 CO 0.29 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.71 2wle n GLY 155 N 0.63 1.28 3.71 0.59 0.00 0.02 -4.86 105.19 106.56 2wle n GLY 155 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.46 4.10 -0.14 1.61 1.01 -1.12 -4.64 120.40 117.76 2wle s VAL 156 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2wle s VAL 156 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2wle s VAL 156 CO 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 175.10 175.09 2wle s ILE 158 N 0.49 3.42 1.07 0.00 1.01 0.16 -2.07 121.20 125.28 2wle s ILE 158 Ca -0.09 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2wle s ILE 158 Cb -0.16 -2.54 0.23 0.00 0.01 0.00 0.00 42.46 40.01 2wle s ILE 158 CO 0.04 0.44 1.06 -2.84 0.00 0.00 0.00 174.94 173.64 2wle s PRO 159 N 1.23 -0.18 0.59 2.79 0.02 -1.26 -0.50 135.00 137.70 2wle s PRO 159 Ca 0.03 0.89 -0.19 0.00 0.02 0.00 0.00 61.00 61.74 2wle s PRO 159 Cb -0.14 -1.64 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 2wle s PRO 159 CO -0.01 -3.24 1.21 -0.80 -0.33 0.00 0.00 177.00 173.83 2wle s ASN 160 N -2.80 5.24 -1.02 2.53 0.01 -1.26 -4.05 114.94 113.58 2wle s ASN 160 Ca 0.67 2.39 -0.14 0.00 -0.71 0.00 0.00 52.86 55.06 2wle s ASN 160 Cb -0.23 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.83 2wle s ASN 160 CO 0.62 -1.56 0.75 -3.20 -1.51 0.00 0.00 177.10 172.20 2wle n ASN 161 N -1.54 -5.69 -4.17 -1.22 5.15 0.12 -3.11 115.26 104.81 2wle n ASN 161 Ca 0.13 -0.86 -0.21 0.00 -0.60 0.00 0.00 54.58 53.05 2wle n ASN 161 Cb 0.50 -3.45 -0.13 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 -3.31 1.22 -0.10 3.44 1.01 -1.17 -1.22 120.40 120.28 2wle s VAL 162 Ca 0.33 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2wle s VAL 162 Cb -0.11 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2wle s VAL 162 CO 0.85 0.00 -0.15 -0.69 0.00 0.00 0.00 175.10 175.11 2wle s VAL 163 N -0.91 2.96 -0.19 2.92 1.01 -0.32 -1.62 120.40 124.24 2wle s VAL 163 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2wle s VAL 163 Cb -0.08 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2wle s VAL 163 CO 0.02 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 174.95 2wle s VAL 164 N -0.07 3.72 0.64 2.92 1.01 0.28 0.01 120.40 128.91 2wle s VAL 164 Ca -0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2wle s VAL 164 Cb -0.14 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2wle s VAL 164 CO 0.04 0.45 1.11 -0.83 0.00 0.00 0.00 175.10 175.87 2wle s GLY 165 N 0.94 2.24 0.14 4.51 0.00 0.21 -0.60 107.32 114.76 2wle s GLY 165 Ca 0.00 0.59 -0.34 0.00 0.00 0.00 0.00 44.72 44.97 2wle s GLY 165 CO 0.01 0.95 1.20 -1.26 0.00 0.00 0.00 173.10 174.00 2wle n SER 166 N -2.20 1.31 -1.06 1.64 2.88 -1.26 -2.05 113.62 112.88 2wle n SER 166 Ca 0.11 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.64 2wle n SER 166 Cb 0.52 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 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 1.80 0.00 -2.59 0.66 8.25 0.12 -4.93 115.22 118.54 2wle n HIS 167 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.26 2wle n HIS 167 Cb 0.22 -2.65 -0.04 0.00 1.12 0.00 0.00 29.99 28.63 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 -2.38 3.81 -0.19 1.59 2.01 -0.87 -4.89 115.64 114.73 2wle s THR 168 Ca 0.00 1.39 -0.02 0.00 0.31 0.00 0.00 61.69 63.37 2wle s THR 168 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2wle s THR 168 CO 0.00 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.17 2wle s VAL 169 N -1.67 3.18 -0.24 3.82 1.01 -1.26 -1.57 120.40 123.67 2wle s VAL 169 Ca 0.57 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2wle s VAL 169 Cb -0.21 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2wle s VAL 169 CO 0.27 0.47 0.10 -0.76 0.00 0.00 0.00 175.10 175.17 2wle s LEU 170 N 1.08 3.70 -0.02 3.92 2.01 0.00 -4.39 118.68 124.98 2wle s LEU 170 Ca 0.00 -0.07 0.13 0.00 0.01 0.00 0.00 54.13 54.20 2wle s LEU 170 Cb -0.15 -1.98 -0.20 0.00 0.01 0.00 0.00 46.19 43.87 2wle s LEU 170 CO -0.01 0.03 0.27 -1.22 1.01 0.00 0.00 176.35 176.42 2wle n TYR 171 N 4.54 0.00 -4.35 0.29 4.01 -1.26 -2.30 117.16 118.08 2wle n TYR 171 Ca -0.16 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 2wle n TYR 171 Cb 0.52 -0.31 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 2wle n TYR 171 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2wle s LYS 172 N -2.86 1.35 0.45 -0.72 1.02 -1.26 -4.73 119.74 112.99 2wle s LYS 172 Ca -0.05 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.18 2wle s LYS 172 Cb 0.08 -0.96 -0.07 0.00 -0.52 0.00 0.00 37.83 36.37 2wle s LYS 172 CO 0.53 0.07 0.85 -1.12 -0.92 0.00 0.00 175.35 174.76 2wle s SER 173 N -3.33 6.53 0.27 2.83 0.01 -1.26 -4.58 113.70 114.17 2wle s SER 173 Ca 0.25 1.27 0.12 0.00 1.31 0.00 0.00 55.95 58.89 2wle s SER 173 Cb 0.02 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 2wle s SER 173 CO 0.08 -0.49 -0.19 -0.36 0.41 0.00 0.00 173.24 172.69 2wle s PHE 174 N -2.50 2.32 -0.08 2.43 0.40 -0.88 -4.91 117.98 114.75 2wle s PHE 174 Ca 0.53 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.57 2wle s PHE 174 Cb -0.10 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 2wle s PHE 174 CO 0.33 0.69 0.11 1.63 0.70 0.00 0.00 175.22 178.68 2wle n LYS 175 N -0.53 2.84 -3.27 0.44 5.02 -1.26 -4.40 118.16 117.01 2wle n LYS 175 Ca -0.06 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 2wle n LYS 175 Cb 0.59 -0.88 -0.07 0.00 -0.02 0.00 0.00 35.03 34.65 2wle n LYS 175 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wle s GLU 176 N -1.81 4.21 0.83 1.97 2.12 -1.26 -4.92 118.70 119.85 2wle s GLU 176 Ca -0.00 0.40 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 2wle s GLU 176 Cb 0.02 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 31.00 2wle s GLU 176 CO 0.14 -0.09 1.18 -1.25 -0.54 0.00 0.00 175.26 174.70 2wle s PRO 177 N 1.44 1.50 -1.22 4.30 0.04 -1.26 -4.53 135.00 135.27 2wle s PRO 177 Ca 0.24 -0.28 -0.06 0.00 0.04 0.00 0.00 61.00 60.94 2wle s PRO 177 Cb -0.15 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2wle s PRO 177 CO 0.10 -1.81 1.05 0.09 0.04 0.00 0.00 177.00 176.47 2wle n ASN 178 N -3.35 -4.92 -4.14 6.66 3.02 -0.36 -4.70 115.26 107.46 2wle n ASN 178 Ca 0.11 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 54.04 2wle n ASN 178 Cb 0.60 -4.73 -0.10 0.00 -0.61 0.00 0.00 39.78 34.95 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 -4.05 4.52 -0.13 0.00 1.01 0.58 -1.17 120.40 121.16 2wle s VAL 180 Ca 0.25 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2wle s VAL 180 Cb 0.07 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2wle s VAL 180 CO 0.02 0.55 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 2wle s ILE 181 N -0.34 2.10 0.34 2.22 1.01 0.10 -0.31 121.20 126.32 2wle s ILE 181 Ca 0.08 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 2wle s ILE 181 Cb -0.12 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.54 2wle s ILE 181 CO 0.02 0.55 0.57 0.00 0.00 0.00 0.00 174.94 176.08 2wle s ALA 182 N 0.63 0.14 0.00 9.38 0.00 -0.58 -0.62 121.76 130.71 2wle s ALA 182 Ca -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2wle s ALA 182 Cb -0.16 1.00 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2wle s ALA 182 CO 0.02 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2wle n GLY 183 N -0.52 -2.65 2.95 0.00 0.00 -1.26 -1.43 105.19 102.28 2wle n GLY 183 Ca -0.02 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.22 0.37 0.54 1.61 0.15 -1.26 -2.48 113.70 110.42 2wle s SER 184 Ca 0.00 0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.76 2wle s SER 184 Cb 0.00 0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 2wle s SER 184 CO 0.00 -0.29 1.24 -2.16 1.20 0.00 0.00 173.24 173.24 2wle s PRO 185 N 2.50 3.24 0.29 5.44 0.05 -1.26 -5.09 135.00 140.18 2wle s PRO 185 Ca 0.08 1.94 -0.28 0.00 0.05 0.00 0.00 61.00 62.79 2wle s PRO 185 Cb -0.15 -2.16 -0.14 0.00 0.05 0.00 0.00 34.50 32.10 2wle s PRO 185 CO -0.14 -1.02 1.05 0.00 0.05 0.00 0.00 177.00 176.95 2wle n ALA 186 N -1.11 -0.04 -3.36 8.56 0.00 -1.04 -4.99 120.51 118.53 2wle n ALA 186 Ca 0.11 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 2wle n ALA 186 Cb 0.48 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.53 1.29 0.08 0.00 -2.85 -0.51 -4.96 119.74 111.26 2wle s LYS 187 Ca 0.59 -0.60 -0.31 0.00 -1.00 0.00 0.00 55.97 54.65 2wle s LYS 187 Cb -0.69 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 2wle s LYS 187 CO 0.60 -0.56 1.65 0.42 0.10 0.00 0.00 175.35 177.56 2wle s ILE 188 N -3.79 2.95 -0.08 3.79 1.01 -1.26 -1.52 121.20 122.30 2wle s ILE 188 Ca 0.03 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2wle s ILE 188 Cb -0.01 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2wle s ILE 188 CO -0.10 0.00 0.10 0.55 0.00 0.00 0.00 174.94 175.49 2wle n VAL 189 N 4.63 0.00 -3.64 2.92 3.14 0.57 -4.92 118.33 121.04 2wle n VAL 189 Ca 0.16 -0.28 -0.14 0.00 -2.96 0.00 0.00 64.34 61.12 2wle n VAL 189 Cb 0.40 0.76 -0.07 0.00 -1.06 0.00 0.00 33.84 33.86 2wle n VAL 189 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2wle s LYS 190 N -1.67 0.81 0.24 1.45 2.20 -1.15 -4.97 119.74 116.65 2wle s LYS 190 Ca 0.00 0.89 0.10 0.00 -0.36 0.00 0.00 55.97 56.60 2wle s LYS 190 Cb 0.02 0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.69 2wle s LYS 190 CO 0.12 -0.11 -0.18 -1.21 -0.36 0.00 0.00 175.35 173.61 2wle s GLU 191 N 0.24 1.53 -0.67 4.03 2.02 -1.26 -0.31 118.70 124.28 2wle s GLU 191 Ca -0.01 -1.68 -0.01 0.00 0.02 0.00 0.00 54.97 53.29 2wle s GLU 191 Cb -0.04 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.67 2wle s GLU 191 CO 0.02 0.28 0.56 -1.71 0.02 0.00 0.00 175.26 174.43 2wle n ASN 192 N -0.47 -2.33 -4.39 -0.19 5.15 0.44 -4.95 115.26 108.54 2wle n ASN 192 Ca -0.07 -0.34 -0.21 0.00 -0.60 0.00 0.00 54.58 53.37 2wle n ASN 192 Cb 0.60 -3.05 -0.10 0.00 -0.53 0.00 0.00 39.78 36.70 2wle n ASN 192 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wle s ILE 193 N -3.20 0.98 -0.10 -1.44 -5.25 -0.23 -5.03 121.20 106.93 2wle s ILE 193 Ca 0.04 -2.00 -0.08 0.00 -0.99 0.00 0.00 60.65 57.62 2wle s ILE 193 Cb -0.02 -2.72 0.03 0.00 2.95 0.00 0.00 42.46 42.71 2wle s ILE 193 CO 0.40 0.00 0.26 0.54 -1.79 0.00 0.00 174.94 174.36 2wle s VAL 194 N -3.40 -0.01 0.23 8.37 0.11 -1.26 -4.44 120.40 120.00 2wle s VAL 194 Ca 0.36 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.50 2wle s VAL 194 Cb 0.08 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2wle s VAL 194 CO 0.15 0.01 0.22 -1.66 -3.33 0.00 0.00 175.10 170.50 2wle s TRP 195 N 0.40 3.21 0.19 1.54 1.48 -1.26 -5.06 118.94 119.45 2wle s TRP 195 Ca -0.02 -0.06 -0.00 0.00 -1.06 0.00 0.00 56.10 54.95 2wle s TRP 195 Cb -0.04 -1.47 -0.04 0.00 -1.16 0.00 0.00 33.47 30.76 2wle s TRP 195 CO -0.02 0.50 0.10 0.20 -4.06 0.00 0.00 176.95 173.68 2wle s GLY 196 N -3.71 1.39 0.03 3.67 0.00 -1.26 -5.03 107.32 102.41 2wle s GLY 196 Ca 0.33 -1.68 0.11 0.00 0.00 0.00 0.00 44.72 43.48 2wle s GLY 196 CO 0.26 -1.44 0.90 3.21 0.00 0.00 0.00 173.10 176.03 2wle h ARG 197 N 2.63 0.00 -4.95 2.90 3.08 -2.01 -3.46 114.38 112.58 2wle h ARG 197 Ca -0.36 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.03 2wle h ARG 197 Cb 1.24 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.03 2wle h ARG 197 CO 0.56 0.64 -0.67 0.15 -1.07 0.00 0.00 179.97 179.59 2wle s LYS 198 N -2.67 3.46 0.51 0.04 -0.14 -1.26 -4.96 119.74 114.73 2wle s LYS 198 Ca -0.02 -0.59 0.32 0.00 -1.36 0.00 0.00 55.97 54.31 2wle s LYS 198 Cb 0.09 -3.20 1.21 0.00 -1.68 0.00 0.00 37.83 34.25 2wle s LYS 198 CO 0.82 -0.23 1.92 0.52 -0.76 0.00 0.00 175.35 177.62 2wle h MET 199 N 8.18 0.00 0.00 1.68 2.86 -2.03 -2.86 114.93 122.76 2wle h MET 199 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2wle h MET 199 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2wle h MET 199 CO 0.59 0.00 0.00 2.48 1.06 0.00 0.00 176.91 181.04 2wle n TYR 200 N -3.01 0.00 -2.93 -0.22 0.18 -1.26 -4.41 117.16 105.51 2wle n TYR 200 Ca 0.01 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.36 2wle n TYR 200 Cb 0.33 -0.20 -0.05 0.00 -0.38 0.00 0.00 39.34 39.04 2wle n TYR 200 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2wle s HIS 201 N -2.40 2.83 0.26 -3.48 3.76 -1.08 -4.93 115.29 110.25 2wle s HIS 201 Ca 0.31 -0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 2wle s HIS 201 Cb 0.19 -3.99 0.28 0.00 1.11 0.00 0.00 32.58 30.17 2wle s HIS 201 CO 0.39 -1.34 1.93 0.66 -0.85 0.00 0.00 174.74 175.54 2wle h SER 202 N 9.29 1.13 -3.45 1.40 4.64 -1.89 -3.43 113.55 121.24 2wle h SER 202 Ca -0.27 -0.03 -0.42 0.00 -0.47 0.00 0.00 61.79 60.60 2wle h SER 202 Cb 1.08 -0.28 -0.14 0.00 -0.31 0.00 0.00 62.40 62.74 2wle h SER 202 CO 1.08 0.82 -0.69 0.42 -0.87 0.00 0.00 176.83 177.59 2wle s THR 203 N -6.10 1.40 0.57 2.95 -4.23 -1.26 -5.02 115.64 103.96 2wle s THR 203 Ca -0.13 -2.11 0.31 0.00 -1.18 0.00 0.00 61.69 58.59 2wle s THR 203 Cb 0.18 -2.22 0.36 0.00 1.34 0.00 0.00 72.50 72.16 2wle s THR 203 CO 0.82 -0.45 2.24 0.00 -0.54 0.00 0.00 174.62 176.69 2wle h MET 204 N 2.49 0.00 0.00 3.99 -0.00 -1.95 -1.64 114.93 117.81 2wle h MET 204 Ca -0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.31 2wle h MET 204 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2wle h MET 204 CO 0.65 0.02 -0.04 1.88 -0.00 0.00 0.00 176.91 179.41 2wle h TYR 205 N 0.00 0.00 -0.06 -0.10 -1.99 -1.96 -1.85 116.97 111.01 2wle h TYR 205 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wle h TYR 205 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2wle h TYR 205 CO 0.00 0.04 0.00 -0.25 -0.00 0.00 0.00 178.16 177.95 2wle n ASP 206 N -3.16 0.77 -4.12 3.88 8.00 -0.62 -4.69 116.55 116.62 2wle n ASP 206 Ca 0.00 -1.49 -0.34 0.00 0.71 0.00 0.00 54.79 53.68 2wle n ASP 206 Cb 0.32 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.67 4.79 0.51 -2.24 2.15 -0.70 -4.93 116.67 114.59 2wle s ASP 207 Ca 0.33 -1.51 0.24 0.00 0.43 0.00 0.00 52.55 52.04 2wle s ASP 207 Cb 0.16 -1.67 1.38 0.00 -0.30 0.00 0.00 42.92 42.49 2wle s ASP 207 CO 0.26 -0.29 2.07 -0.65 -0.17 0.00 0.00 175.17 176.40 2wle h PRO 208 N 7.89 0.00 0.00 4.34 0.11 -1.84 -1.56 132.00 140.94 2wle h PRO 208 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2wle h PRO 208 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wle h PRO 208 CO 0.53 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2wle n THR 209 N -3.85 0.59 0.71 -1.15 -2.24 -1.26 -3.06 114.28 104.02 2wle n THR 209 Ca -0.02 0.15 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 2wle n THR 209 Cb 0.22 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.46 1.56 -0.30 3.22 4.77 -0.59 -4.57 117.00 119.63 2wle n LEU 210 Ca 0.06 -0.75 0.14 0.00 -0.03 0.00 0.00 56.01 55.43 2wle n LEU 210 Cb 0.22 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.62 2wle n LEU 210 CO 0.18 0.30 0.98 0.78 -1.33 0.00 0.00 177.39 178.30 2wle h ASN 211 N 1.66 0.12 0.79 -1.43 -0.26 -1.62 -0.69 115.58 114.15 2wle h ASN 211 Ca 0.00 0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2wle h ASN 211 Cb 0.53 0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 38.01 2wle h ASN 211 CO 0.00 -0.12 -0.06 1.05 -1.06 0.00 0.00 177.43 177.24 2wle h GLU 212 N 0.26 0.00 0.00 0.81 4.11 -1.85 -2.94 114.58 114.96 2wle h GLU 212 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 2wle h GLU 212 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2wle h GLU 212 CO -0.62 0.06 -0.53 1.19 0.07 0.00 0.00 179.01 179.18 2wle n PHE 213 N -3.22 0.38 -0.23 2.06 3.01 -0.27 -5.25 117.46 113.94 2wle n PHE 213 Ca -0.00 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2wle n PHE 213 Cb 0.29 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 2wle n PHE 213 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25