#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 h PRO 2 N 0.00 -0.07 0.00 0.03 0.13 -2.10 -3.48 132.00 126.51 1i16 h PRO 2 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1i16 h PRO 2 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1i16 h PRO 2 CO 0.00 -0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 177.47 1i16 n ASP 3 N -3.26 0.00 -2.46 1.44 8.00 -1.26 -5.08 116.55 113.93 1i16 n ASP 3 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.46 1i16 n ASP 3 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1i16 n ASP 3 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i16 n LEU 4 N 0.00 -5.72 -3.44 0.64 4.32 -1.26 -5.03 117.00 106.50 1i16 n LEU 4 Ca 0.00 0.21 -0.28 0.00 -0.02 0.00 0.00 56.01 55.92 1i16 n LEU 4 Cb 0.00 -2.60 -0.12 0.00 -1.62 0.00 0.00 43.42 39.09 1i16 n LEU 4 CO 0.00 -1.28 -0.31 0.20 -1.22 0.00 0.00 177.39 174.78 1i16 s ASN 5 N -2.31 2.66 -0.29 -1.43 0.02 -1.26 -4.98 114.94 107.35 1i16 s ASN 5 Ca 0.10 -2.28 -0.07 0.00 -1.02 0.00 0.00 52.86 49.60 1i16 s ASN 5 Cb -0.03 -0.35 0.01 0.00 0.02 0.00 0.00 41.25 40.90 1i16 s ASN 5 CO 0.51 -0.29 0.19 -0.24 0.02 0.00 0.00 177.10 177.29 1i16 n SER 6 N 3.89 -7.54 -0.64 -1.22 2.88 -1.26 -4.76 113.62 104.96 1i16 n SER 6 Ca 0.14 0.91 0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1i16 n SER 6 Cb 0.39 -4.34 -0.02 0.00 -0.75 0.00 0.00 64.21 59.49 1i16 n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i16 n SER 7 N 0.52 -3.79 0.00 -3.46 2.88 -1.26 -4.95 113.62 103.55 1i16 n SER 7 Ca 0.02 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1i16 n SER 7 Cb 0.25 -1.95 0.00 0.00 -0.75 0.00 0.00 64.21 61.76 1i16 n SER 7 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1i16 n THR 8 N -2.61 0.00 -2.53 2.46 5.66 -1.26 -4.77 114.28 111.23 1i16 n THR 8 Ca -0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1i16 n THR 8 Cb 0.29 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.08 1i16 n THR 8 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1i16 n ASP 9 N -1.36 5.54 -0.04 1.09 5.75 -1.26 -4.70 116.55 121.57 1i16 n ASP 9 Ca 0.00 -3.21 -0.17 0.00 -0.01 0.00 0.00 54.79 51.40 1i16 n ASP 9 Cb 0.00 -1.41 -0.13 0.00 -1.03 0.00 0.00 41.12 38.55 1i16 n ASP 9 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1i16 h SER 10 N 5.62 0.13 -1.03 -1.12 4.64 -1.95 -3.50 113.55 116.34 1i16 h SER 10 Ca 0.34 -0.93 0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1i16 h SER 10 Cb 0.62 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1i16 h SER 10 CO 1.54 1.18 -0.05 0.00 -0.87 0.00 0.00 176.83 178.63 1i16 n ALA 11 N -2.74 -0.41 -2.99 5.18 0.00 -1.26 -4.81 120.51 113.47 1i16 n ALA 11 Ca -0.14 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1i16 n ALA 11 Cb 0.60 -0.14 -0.16 0.00 0.00 0.00 0.00 19.45 19.76 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 12 N -1.83 1.04 0.27 0.00 0.00 -1.26 -5.08 121.76 114.91 1i16 s ALA 12 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1i16 s ALA 12 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1i16 s ALA 12 CO 0.00 0.18 0.00 0.45 0.00 0.00 0.00 175.76 176.39 1i16 n SER 13 N 3.25 -6.28 -4.70 0.00 2.88 -1.26 -4.61 113.62 102.89 1i16 n SER 13 Ca -0.18 0.50 -0.40 0.00 -1.33 0.00 0.00 58.87 57.46 1i16 n SER 13 Cb 0.54 -3.45 0.02 0.00 -0.75 0.00 0.00 64.21 60.57 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 14 N -2.07 1.28 0.00 -1.46 0.00 -1.26 -4.66 120.51 112.34 1i16 n ALA 14 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1i16 n ALA 14 Cb 0.63 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1i16 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 15 N -0.18 0.00 -0.98 0.00 2.88 -1.26 -4.94 113.62 109.15 1i16 n SER 15 Ca 0.08 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.65 1i16 n SER 15 Cb 0.42 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.03 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N 0.00 2.96 -2.10 -1.46 0.00 -1.26 -4.84 120.51 113.81 1i16 n ALA 16 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 1i16 n ALA 16 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N 0.27 -0.42 -1.45 0.00 0.00 -1.26 -4.69 120.51 112.97 1i16 n ALA 17 Ca 0.11 0.16 0.18 0.00 0.00 0.00 0.00 53.44 53.89 1i16 n ALA 17 Cb 0.57 -1.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1i16 n ALA 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 18 N -0.96 -8.43 -4.52 0.00 2.88 -1.26 -4.78 113.62 96.55 1i16 n SER 18 Ca -0.18 1.10 -0.30 0.00 -1.33 0.00 0.00 58.87 58.16 1i16 n SER 18 Cb 0.62 -4.73 0.22 0.00 -0.75 0.00 0.00 64.21 59.57 1i16 n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i16 n ASP 19 N -4.35 -1.10 -4.89 -3.46 2.03 -1.26 -4.99 116.55 98.54 1i16 n ASP 19 Ca -0.05 0.06 -0.33 0.00 0.52 0.00 0.00 54.79 54.99 1i16 n ASP 19 Cb 0.68 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 1i16 n ASP 19 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1i16 s VAL 20 N -2.47 5.16 0.00 5.18 1.01 -1.26 -4.94 120.40 123.08 1i16 s VAL 20 Ca 0.67 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1i16 s VAL 20 Cb -0.24 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1i16 s VAL 20 CO 0.63 0.16 0.00 -0.24 0.00 0.00 0.00 175.10 175.65 1i16 n SER 21 N 0.48 -0.52 -4.69 3.32 2.88 -1.26 -4.72 113.62 109.11 1i16 n SER 21 Ca -0.05 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.08 1i16 n SER 21 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1i16 n SER 21 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1i16 s VAL 22 N 0.00 4.94 -1.31 2.46 -7.23 -1.26 -4.95 120.40 113.04 1i16 s VAL 22 Ca 0.00 1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 61.73 1i16 s VAL 22 Cb 0.00 -4.12 0.13 0.00 0.56 0.00 0.00 36.38 32.94 1i16 s VAL 22 CO 0.00 0.12 2.31 1.21 -0.31 0.00 0.00 175.10 178.42 1i16 n GLU 23 N 4.60 4.48 -1.52 4.82 4.07 -1.26 -4.68 120.64 131.14 1i16 n GLU 23 Ca 0.03 -3.49 -0.35 0.00 -0.06 0.00 0.00 57.16 53.29 1i16 n GLU 23 Cb 0.50 -2.67 0.07 0.00 -0.06 0.00 0.00 31.44 29.28 1i16 n GLU 23 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1i16 n SER 24 N 1.99 7.36 -4.73 4.31 2.88 -1.26 -5.00 113.62 119.17 1i16 n SER 24 Ca 0.59 -3.79 -0.29 0.00 -1.33 0.00 0.00 58.87 54.05 1i16 n SER 24 Cb 0.26 -0.92 0.16 0.00 -0.75 0.00 0.00 64.21 62.96 1i16 n SER 24 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1i16 s THR 25 N -4.86 2.01 0.15 2.46 -1.32 -1.26 -5.07 115.64 107.74 1i16 s THR 25 Ca 0.61 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.12 1i16 s THR 25 Cb 0.49 -2.63 0.02 0.00 -1.51 0.00 0.00 72.50 68.87 1i16 s THR 25 CO -0.07 -0.00 0.17 0.00 -2.21 0.00 0.00 174.62 172.50 1i16 n ALA 26 N -3.98 0.29 -2.38 11.08 0.00 -1.26 -4.91 120.51 119.35 1i16 n ALA 26 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 1i16 n ALA 26 Cb 0.58 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 1i16 n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i16 n GLU 27 N -1.16 -3.39 -1.77 0.00 1.02 -1.26 -4.85 120.64 109.22 1i16 n GLU 27 Ca 0.03 2.69 0.00 0.00 -0.02 0.00 0.00 57.16 59.86 1i16 n GLU 27 Cb 0.16 -4.28 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N 1.12 -2.10 -3.27 0.62 0.00 -1.26 -4.91 120.51 110.71 1i16 n ALA 28 Ca -0.24 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1i16 n ALA 28 Cb 0.38 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -1.81 0.02 0.25 0.00 -4.23 -1.18 -4.88 115.64 103.82 1i16 s THR 29 Ca 0.00 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1i16 s THR 29 Cb 0.00 -0.58 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 1i16 s THR 29 CO 0.00 -0.11 0.42 -0.69 -0.54 0.00 0.00 174.62 173.70 1i16 s VAL 30 N -0.50 5.20 -0.37 2.29 1.01 -1.26 -1.84 120.40 124.93 1i16 s VAL 30 Ca -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1i16 s VAL 30 Cb -0.04 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.68 1i16 s VAL 30 CO 0.02 -0.34 0.31 0.00 0.00 0.00 0.00 175.10 175.10 1i16 s THR 32 N 1.20 4.80 0.10 0.00 2.01 -1.26 -3.02 115.64 119.47 1i16 s THR 32 Ca 0.18 2.04 -0.06 0.00 0.31 0.00 0.00 61.69 64.16 1i16 s THR 32 Cb -0.18 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 1i16 s THR 32 CO -0.02 0.07 0.15 0.68 -0.69 0.00 0.00 174.62 174.82 1i16 s VAL 33 N 1.57 0.14 -0.06 3.82 -7.23 -0.09 -4.96 120.40 113.60 1i16 s VAL 33 Ca 0.50 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 1i16 s VAL 33 Cb -0.20 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 1i16 s VAL 33 CO 0.22 -0.64 -0.22 0.42 -0.31 0.00 0.00 175.10 174.58 1i16 s THR 34 N -3.91 2.33 -0.63 5.32 -4.23 -1.26 0.29 115.64 113.56 1i16 s THR 34 Ca 0.09 -0.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1i16 s THR 34 Cb 0.05 -1.87 0.27 0.00 1.34 0.00 0.00 72.50 72.30 1i16 s THR 34 CO -0.08 0.57 0.81 0.18 -0.54 0.00 0.00 174.62 175.57 1i16 n LEU 35 N 2.88 4.01 0.00 4.79 4.77 0.29 -3.98 117.00 129.76 1i16 n LEU 35 Ca -0.17 -5.51 0.00 0.00 -0.03 0.00 0.00 56.01 50.30 1i16 n LEU 35 Cb 0.52 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1i16 n LEU 35 CO 0.26 2.13 0.00 -1.84 -1.33 0.00 0.00 177.39 176.61 1i16 n GLU 36 N 0.56 0.00 -2.52 3.23 0.28 -1.26 -4.39 120.64 116.54 1i16 n GLU 36 Ca 0.30 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.89 1i16 n GLU 36 Cb 0.40 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.26 1i16 n GLU 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i16 s LYS 37 N 0.00 3.76 0.00 3.44 2.20 0.17 -4.35 119.74 124.96 1i16 s LYS 37 Ca 0.00 -1.76 0.00 0.00 -0.36 0.00 0.00 55.97 53.85 1i16 s LYS 37 Cb 0.00 -5.48 0.00 0.00 -1.51 0.00 0.00 37.83 30.84 1i16 s LYS 37 CO 0.00 -2.44 0.37 -0.12 -0.36 0.00 0.00 175.35 172.80 1i16 n MET 38 N 8.47 0.24 -0.03 4.03 1.56 -1.26 -3.99 117.12 126.13 1i16 n MET 38 Ca 0.46 -0.43 -0.04 0.00 -0.27 0.00 0.00 57.70 57.42 1i16 n MET 38 Cb 0.47 -0.61 -0.01 0.00 2.15 0.00 0.00 33.22 35.21 1i16 n MET 38 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1i16 n SER 39 N -0.06 1.09 0.00 6.12 7.64 -1.26 -5.04 113.62 122.11 1i16 n SER 39 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1i16 n SER 39 Cb 0.32 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 40 N -3.58 0.00 0.00 -0.43 0.00 -1.26 -5.03 120.51 110.22 1i16 n ALA 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1i16 n ALA 40 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N 0.00 0.76 1.50 0.00 0.00 -1.26 -4.66 105.19 101.53 1i16 n GLY 41 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N 0.00 -0.19 0.00 0.99 4.77 -1.26 0.30 117.00 121.61 1i16 n LEU 42 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1i16 n LEU 42 Cb 0.00 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1i16 n LEU 42 CO 0.00 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1i16 n GLY 43 N -0.17 0.00 3.12 -0.72 0.00 -1.26 -4.83 105.19 101.33 1i16 n GLY 43 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -0.87 0.13 0.02 1.61 -0.12 0.15 0.23 117.98 119.13 1i16 s PHE 44 Ca 0.00 -0.35 0.08 0.00 -0.05 0.00 0.00 56.93 56.61 1i16 s PHE 44 Cb 0.00 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1i16 s PHE 44 CO 0.00 -0.35 -0.25 0.45 -0.05 0.00 0.00 175.22 175.02 1i16 s SER 45 N -1.87 2.98 -0.06 1.98 0.15 -0.63 -4.89 113.70 111.36 1i16 s SER 45 Ca -0.08 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 1i16 s SER 45 Cb -0.03 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1i16 s SER 45 CO -0.02 0.26 0.33 -0.76 1.20 0.00 0.00 173.24 174.25 1i16 s LEU 46 N -1.01 4.41 -0.01 3.45 1.02 -1.26 -1.70 118.68 123.59 1i16 s LEU 46 Ca 0.10 0.78 -0.01 0.00 0.02 0.00 0.00 54.13 55.03 1i16 s LEU 46 Cb -0.10 -2.44 0.00 0.00 0.02 0.00 0.00 46.19 43.67 1i16 s LEU 46 CO 0.01 0.30 0.02 -1.61 0.02 0.00 0.00 176.35 175.09 1i16 s GLU 47 N -0.77 0.02 0.00 1.70 8.01 0.82 -4.80 118.70 123.68 1i16 s GLU 47 Ca 0.21 0.02 0.00 0.00 0.01 0.00 0.00 54.97 55.21 1i16 s GLU 47 Cb -0.15 0.01 0.00 0.00 -4.31 0.00 0.00 34.13 29.68 1i16 s GLU 47 CO 0.10 -0.00 0.00 0.41 0.01 0.00 0.00 175.26 175.77 1i16 n GLY 48 N 3.08 0.26 0.00 -1.39 0.00 -1.26 0.28 105.19 106.16 1i16 n GLY 48 Ca -0.12 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 -0.34 3.18 -0.02 0.00 -1.26 -4.95 105.19 101.80 1i16 n GLY 49 Ca 0.00 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 0.00 -0.88 0.00 1.61 2.85 -1.26 -3.58 118.16 116.90 1i16 n LYS 50 Ca 0.00 -0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1i16 n LYS 50 Cb 0.00 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i16 n GLY 51 N 2.56 0.67 0.00 2.58 0.00 -1.23 -4.63 105.19 105.15 1i16 n GLY 51 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1i16 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i16 n SER 52 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.19 113.62 117.42 1i16 n SER 52 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1i16 n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1i16 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n LEU 53 N -0.65 0.48 -1.64 -3.43 -0.00 -1.26 -4.71 117.00 105.79 1i16 n LEU 53 Ca 0.00 -0.50 -0.07 0.00 -0.00 0.00 0.00 56.01 55.44 1i16 n LEU 53 Cb 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 43.66 1i16 n LEU 53 CO 0.00 0.12 0.94 1.41 -0.00 0.00 0.00 177.39 179.87 1i16 n HIS 54 N -0.04 1.97 0.00 1.47 8.25 -1.26 -4.71 115.22 120.89 1i16 n HIS 54 Ca 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 57.72 56.06 1i16 n HIS 54 Cb 0.11 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i16 n GLY 55 N -0.70 -1.84 3.21 -1.41 0.00 -1.26 -5.03 105.19 98.16 1i16 n GLY 55 Ca 0.40 0.82 -0.45 0.00 0.00 0.00 0.00 46.02 46.80 1i16 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 56 N 0.00 -1.44 -4.08 1.61 5.68 -1.26 -3.53 116.55 113.52 1i16 n ASP 56 Ca 0.00 1.02 -0.35 0.00 -0.50 0.00 0.00 54.79 54.96 1i16 n ASP 56 Cb 0.00 -0.89 -0.08 0.00 -1.14 0.00 0.00 41.12 39.00 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1i16 s LYS 57 N -0.95 2.89 -1.39 0.11 -2.85 -1.23 -4.78 119.74 111.53 1i16 s LYS 57 Ca 0.60 -2.98 -0.14 0.00 -1.00 0.00 0.00 55.97 52.44 1i16 s LYS 57 Cb -0.84 -3.80 0.07 0.00 -2.06 0.00 0.00 37.83 31.20 1i16 s LYS 57 CO 0.54 -1.23 2.05 -0.35 0.10 0.00 0.00 175.35 176.46 1i16 n PRO 58 N 2.76 3.04 -1.55 1.78 -0.04 -1.26 -4.73 135.00 135.00 1i16 n PRO 58 Ca 0.16 -2.90 -0.55 0.00 -0.04 0.00 0.00 63.50 60.16 1i16 n PRO 58 Cb 0.37 -3.29 -0.07 0.00 -0.04 0.00 0.00 33.50 30.47 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 6.34 0.87 -4.28 1.53 4.32 -1.26 -4.61 117.00 119.91 1i16 n LEU 59 Ca 0.49 1.14 -0.18 0.00 -0.02 0.00 0.00 56.01 57.45 1i16 n LEU 59 Cb 0.40 -1.06 -0.11 0.00 -1.62 0.00 0.00 43.42 41.03 1i16 n LEU 59 CO 0.85 -1.45 -0.44 0.42 -1.22 0.00 0.00 177.39 175.54 1i16 s THR 60 N 0.25 1.46 0.01 -5.08 -4.23 0.80 -3.40 115.64 105.45 1i16 s THR 60 Ca 0.87 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 1i16 s THR 60 Cb -1.10 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1i16 s THR 60 CO 0.52 -0.53 1.26 -0.63 -0.54 0.00 0.00 174.62 174.70 1i16 s ILE 61 N -2.61 3.97 -0.04 2.99 1.01 -1.16 0.29 121.20 125.66 1i16 s ILE 61 Ca 0.15 1.37 -0.03 0.00 0.00 0.00 0.00 60.65 62.13 1i16 s ILE 61 Cb -0.02 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1i16 s ILE 61 CO 0.04 0.04 -0.08 0.59 0.00 0.00 0.00 174.94 175.53 1i16 n ASN 62 N 4.71 0.66 -4.32 3.58 4.13 -0.69 -0.25 115.26 123.08 1i16 n ASN 62 Ca 0.11 0.10 -0.46 0.00 1.68 0.00 0.00 54.58 56.01 1i16 n ASN 62 Cb 0.45 -0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.41 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1i16 s ARG 63 N -2.14 3.31 -0.06 3.52 0.52 -1.24 -4.89 118.95 117.97 1i16 s ARG 63 Ca -0.08 -2.10 -0.04 0.00 -0.52 0.00 0.00 55.73 52.99 1i16 s ARG 63 Cb 0.03 -4.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.09 1i16 s ARG 63 CO 0.11 -1.32 0.16 0.42 0.02 0.00 0.00 175.30 174.69 1i16 s ILE 64 N 0.88 5.44 -0.16 1.52 1.01 -1.26 -1.61 121.20 127.02 1i16 s ILE 64 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1i16 s ILE 64 Cb -0.19 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1i16 s ILE 64 CO -0.03 0.46 -0.18 0.49 0.00 0.00 0.00 174.94 175.68 1i16 n PHE 65 N 1.41 0.00 -0.75 3.97 3.72 0.63 -4.96 117.46 121.48 1i16 n PHE 65 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1i16 n PHE 65 Cb 0.54 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 1i16 n PHE 65 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1i16 n LYS 66 N -3.40 -1.70 0.12 -1.08 4.81 -1.20 -5.07 118.16 110.63 1i16 n LYS 66 Ca -0.29 1.35 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 1i16 n LYS 66 Cb 0.75 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.47 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i16 n GLY 67 N 0.13 -1.74 3.48 3.14 0.00 -1.26 -5.07 105.19 103.87 1i16 n GLY 67 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 s ALA 68 N -1.76 2.64 0.29 4.61 0.00 -1.26 -5.14 121.76 121.14 1i16 s ALA 68 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1i16 s ALA 68 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1i16 s ALA 68 CO 0.00 0.59 0.22 0.00 0.00 0.00 0.00 175.76 176.56 1i16 s ALA 69 N -1.11 1.70 0.00 0.00 0.00 -1.26 -4.82 121.76 116.27 1i16 s ALA 69 Ca 0.17 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1i16 s ALA 69 Cb -0.10 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1i16 s ALA 69 CO 0.09 -0.61 0.00 -1.13 0.00 0.00 0.00 175.76 174.11 1i16 n SER 70 N -1.09 0.00 -1.21 0.00 3.41 -1.26 -4.88 113.62 108.59 1i16 n SER 70 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.64 1i16 n SER 70 Cb 0.64 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.72 1i16 n SER 70 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i16 n GLU 71 N 0.00 1.86 -4.45 4.33 0.00 -1.26 -5.01 120.64 116.11 1i16 n GLU 71 Ca 0.00 -3.34 -0.22 0.00 0.00 0.00 0.00 57.16 53.60 1i16 n GLU 71 Cb 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 31.44 29.73 1i16 n GLU 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1i16 s GLN 72 N -2.90 1.27 0.26 3.44 0.74 -1.26 -5.02 119.66 116.19 1i16 s GLN 72 Ca 0.40 -0.33 -0.05 0.00 0.05 0.00 0.00 55.36 55.43 1i16 s GLN 72 Cb 0.38 -1.12 0.50 0.00 1.10 0.00 0.00 33.01 33.87 1i16 s GLN 72 CO -0.06 0.05 1.61 0.77 -0.55 0.00 0.00 175.29 177.12 1i16 h SER 73 N 6.76 -0.45 -3.24 6.67 0.02 -2.02 -3.34 113.55 117.95 1i16 h SER 73 Ca -0.33 0.23 -0.54 0.00 -0.84 0.00 0.00 61.79 60.30 1i16 h SER 73 Cb 1.17 0.41 -0.40 0.00 0.14 0.00 0.00 62.40 63.72 1i16 h SER 73 CO 0.48 -0.24 -0.76 -1.83 -1.14 0.00 0.00 176.83 173.34 1i16 s GLU 74 N -6.11 0.71 -0.34 3.45 1.03 -1.26 -4.98 118.70 111.20 1i16 s GLU 74 Ca -0.14 -0.64 0.05 0.00 0.03 0.00 0.00 54.97 54.27 1i16 s GLU 74 Cb 0.24 -2.06 0.59 0.00 -0.80 0.00 0.00 34.13 32.11 1i16 s GLU 74 CO 0.76 -0.75 1.72 0.25 -1.33 0.00 0.00 175.26 175.91 1i16 n THR 75 N 4.98 2.74 -3.93 1.83 -2.24 -1.25 -4.89 114.28 111.51 1i16 n THR 75 Ca -0.07 -1.51 -0.10 0.00 -2.27 0.00 0.00 64.05 60.10 1i16 n THR 75 Cb 0.45 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i16 s VAL 76 N -2.71 0.12 -0.12 2.28 -7.23 -1.26 -4.88 120.40 106.60 1i16 s VAL 76 Ca 0.47 -0.97 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 1i16 s VAL 76 Cb 0.39 -0.66 0.04 0.00 0.56 0.00 0.00 36.38 36.71 1i16 s VAL 76 CO 0.10 -0.54 0.31 0.00 -0.31 0.00 0.00 175.10 174.66 1i16 s GLN 77 N -2.08 0.34 -0.25 4.82 0.00 -1.26 -4.98 119.66 116.24 1i16 s GLN 77 Ca -0.10 0.49 -0.28 0.00 -0.00 0.00 0.00 55.36 55.47 1i16 s GLN 77 Cb -0.04 0.10 0.01 0.00 0.00 0.00 0.00 33.01 33.08 1i16 s GLN 77 CO -0.02 -0.08 1.00 -1.25 0.00 0.00 0.00 175.29 174.94 1i16 s PRO 78 N 0.49 4.20 0.00 9.60 0.04 -1.26 -3.66 135.00 144.41 1i16 s PRO 78 Ca -0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1i16 s PRO 78 Cb -0.04 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1i16 s PRO 78 CO -0.03 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1i16 n GLY 79 N 3.52 0.52 3.83 0.56 0.00 0.66 -4.97 105.19 109.31 1i16 n GLY 79 Ca 0.10 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1i16 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 80 N -2.47 6.39 -1.29 1.61 -1.08 -1.24 -4.79 116.67 113.80 1i16 s ASP 80 Ca 0.00 1.65 -0.05 0.00 -0.52 0.00 0.00 52.55 53.63 1i16 s ASP 80 Cb 0.00 -2.52 0.12 0.00 -1.46 0.00 0.00 42.92 39.06 1i16 s ASP 80 CO 0.00 -0.75 2.41 1.21 0.52 0.00 0.00 175.17 178.56 1i16 n GLU 81 N -1.67 4.51 -1.69 4.34 2.13 -1.20 -2.97 120.64 124.09 1i16 n GLU 81 Ca 0.07 -3.41 -0.53 0.00 0.66 0.00 0.00 57.16 53.96 1i16 n GLU 81 Cb 0.54 -2.61 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 1i16 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1i16 n ILE 82 N 1.70 0.42 -0.08 6.31 5.41 -1.22 -4.12 119.36 127.80 1i16 n ILE 82 Ca 0.62 -0.08 -0.22 0.00 1.00 0.00 0.00 62.75 64.08 1i16 n ILE 82 Cb 0.26 -1.53 -0.12 0.00 -0.71 0.00 0.00 39.64 37.53 1i16 n ILE 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i16 h LEU 83 N 8.08 0.10 -8.87 1.39 -0.00 -1.60 -3.42 115.31 110.99 1i16 h LEU 83 Ca -0.47 -0.62 -0.62 0.00 -0.00 0.00 0.00 57.88 56.17 1i16 h LEU 83 Cb 1.30 -0.03 -0.20 0.00 -0.00 0.00 0.00 40.66 41.72 1i16 h LEU 83 CO 0.95 1.57 -0.83 -1.10 -0.00 0.00 0.00 178.44 179.03 1i16 s GLN 84 N -2.41 1.34 0.26 1.13 -0.21 -1.25 0.30 119.66 118.83 1i16 s GLN 84 Ca -0.27 -1.35 0.01 0.00 0.02 0.00 0.00 55.36 53.76 1i16 s GLN 84 Cb 0.06 -1.67 0.01 0.00 1.00 0.00 0.00 33.01 32.41 1i16 s GLN 84 CO 0.64 0.38 0.06 -0.11 -2.12 0.00 0.00 175.29 174.14 1i16 n LEU 85 N 0.70 0.00 -0.49 2.90 7.94 0.28 -1.99 117.00 126.33 1i16 n LEU 85 Ca -0.16 -1.57 0.43 0.00 -1.11 0.00 0.00 56.01 53.60 1i16 n LEU 85 Cb 0.54 0.12 0.77 0.00 0.53 0.00 0.00 43.42 45.39 1i16 n LEU 85 CO 0.25 -0.29 1.39 1.23 -1.11 0.00 0.00 177.39 178.87 1i16 h GLY 86 N 0.53 0.10 -5.00 -3.96 0.00 -0.46 -3.14 103.07 91.14 1i16 h GLY 86 Ca -0.20 -0.01 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 1i16 h GLY 86 CO 0.33 -0.02 -0.38 0.61 0.00 0.00 0.00 176.54 177.08 1i16 n GLY 87 N -1.82 0.70 3.60 4.60 0.00 -1.26 -4.42 105.19 106.59 1i16 n GLY 87 Ca 0.34 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N 0.24 0.00 -0.31 2.61 -1.32 -1.19 -4.35 115.64 111.32 1i16 s THR 88 Ca 0.22 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.69 1i16 s THR 88 Cb 0.32 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.37 1i16 s THR 88 CO -0.07 0.00 0.01 0.00 -2.21 0.00 0.00 174.62 172.35 1i16 s ALA 89 N -0.82 2.82 0.61 11.08 0.00 -1.26 0.99 121.76 135.17 1i16 s ALA 89 Ca 0.01 -1.93 0.27 0.00 0.00 0.00 0.00 51.96 50.31 1i16 s ALA 89 Cb -0.01 -1.94 1.33 0.00 0.00 0.00 0.00 23.12 22.50 1i16 s ALA 89 CO -0.02 -1.36 1.75 0.52 0.00 0.00 0.00 175.76 176.64 1i16 h MET 90 N 7.93 0.00 -7.19 0.00 2.86 0.42 -3.37 114.93 115.57 1i16 h MET 90 Ca -0.18 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 56.95 1i16 h MET 90 Cb 1.05 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.82 1i16 h MET 90 CO 0.54 0.00 0.38 -0.65 1.06 0.00 0.00 176.91 178.24 1i16 s GLN 91 N -4.48 2.76 -1.47 1.72 -0.21 -1.24 -2.65 119.66 114.09 1i16 s GLN 91 Ca -0.04 1.43 -0.17 0.00 0.02 0.00 0.00 55.36 56.61 1i16 s GLN 91 Cb 0.14 -1.94 0.16 0.00 1.00 0.00 0.00 33.01 32.36 1i16 s GLN 91 CO 0.47 -1.29 0.55 0.41 -2.12 0.00 0.00 175.29 173.31 1i16 n GLY 92 N -0.42 -0.44 3.10 3.09 0.00 -1.26 -4.88 105.19 104.37 1i16 n GLY 92 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1i16 n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i16 s LEU 93 N -6.81 0.24 1.07 0.99 1.98 -1.08 -5.04 118.68 110.03 1i16 s LEU 93 Ca 0.62 0.61 -0.16 0.00 -2.89 0.00 0.00 54.13 52.31 1i16 s LEU 93 Cb -0.35 0.87 0.22 0.00 0.66 0.00 0.00 46.19 47.59 1i16 s LEU 93 CO 0.76 -0.18 1.15 0.42 -1.89 0.00 0.00 176.35 176.62 1i16 s THR 94 N 1.39 1.82 0.04 3.68 -4.23 -1.26 -4.65 115.64 112.43 1i16 s THR 94 Ca -0.09 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.11 1i16 s THR 94 Cb -0.10 -2.64 -0.18 0.00 1.34 0.00 0.00 72.50 70.92 1i16 s THR 94 CO -0.09 0.00 1.41 -0.09 -0.54 0.00 0.00 174.62 175.31 1i16 h ARG 95 N -2.08 -0.93 0.18 3.99 1.12 -1.94 0.21 114.38 114.93 1i16 h ARG 95 Ca -0.48 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.45 1i16 h ARG 95 Cb 1.30 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 31.47 1i16 h ARG 95 CO 0.45 -0.60 -0.09 0.74 -3.11 0.00 0.00 179.97 177.36 1i16 h PHE 96 N -1.10 -0.23 -0.66 2.20 0.04 -1.93 -1.71 116.94 113.56 1i16 h PHE 96 Ca -0.10 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.81 1i16 h PHE 96 Cb 0.77 0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.88 1i16 h PHE 96 CO -0.01 0.05 -0.02 0.93 -0.60 0.00 0.00 178.31 178.67 1i16 h GLU 97 N -0.50 0.10 0.07 1.51 4.39 -1.93 0.56 114.58 118.78 1i16 h GLU 97 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1i16 h GLU 97 Cb 0.38 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1i16 h GLU 97 CO 0.04 0.06 -0.04 0.00 -1.16 0.00 0.00 179.01 177.92 1i16 h ALA 98 N 1.61 -0.98 0.00 3.43 0.00 -0.38 -1.36 119.26 121.58 1i16 h ALA 98 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1i16 h ALA 98 Cb 0.57 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i16 h ALA 98 CO -0.58 -0.98 0.34 2.35 0.00 0.00 0.00 179.25 180.38 1i16 h TRP 99 N -0.10 0.00 0.06 0.00 -0.00 -0.96 -1.57 115.95 113.38 1i16 h TRP 99 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.79 1i16 h TRP 99 Cb 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.25 1i16 h TRP 99 CO 0.16 0.00 -0.38 -0.91 -0.00 0.00 0.00 178.44 177.30 1i16 h ASN 100 N 0.00 0.23 -0.91 2.65 -0.26 0.74 -3.09 115.58 114.95 1i16 h ASN 100 Ca 0.00 -0.95 0.11 0.00 -0.56 0.00 0.00 56.30 54.90 1i16 h ASN 100 Cb 0.68 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.78 1i16 h ASN 100 CO 0.00 1.17 0.54 0.40 -1.06 0.00 0.00 177.43 178.48 1i16 h ILE 101 N -0.67 0.89 0.74 2.81 5.03 -0.22 -2.38 117.51 123.72 1i16 h ILE 101 Ca -0.07 -0.30 -0.04 0.00 -0.12 0.00 0.00 64.86 64.34 1i16 h ILE 101 Cb 1.28 -0.04 0.01 0.00 -3.03 0.00 0.00 36.82 35.04 1i16 h ILE 101 CO 0.07 0.16 -0.36 0.40 -0.68 0.00 0.00 178.15 177.74 1i16 h ILE 102 N 0.86 0.25 -1.39 -0.67 5.03 -1.64 -1.62 117.51 118.33 1i16 h ILE 102 Ca 0.45 -0.05 0.40 0.00 -0.12 0.00 0.00 64.86 65.54 1i16 h ILE 102 Cb 0.45 0.27 -0.06 0.00 -3.03 0.00 0.00 36.82 34.45 1i16 h ILE 102 CO -0.27 0.01 1.13 0.11 -0.68 0.00 0.00 178.15 178.45 1i16 h LYS 103 N -1.03 0.00 -0.01 2.37 1.57 -1.34 2.73 116.57 120.86 1i16 h LYS 103 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1i16 h LYS 103 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1i16 h LYS 103 CO 0.17 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.98 1i16 n ALA 104 N -2.67 2.72 -1.09 3.86 0.00 -0.63 -4.90 120.51 117.80 1i16 n ALA 104 Ca 0.31 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1i16 n ALA 104 Cb 1.56 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 19.97 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i16 s LEU 105 N -2.21 0.83 0.68 0.00 2.34 0.92 -5.02 118.68 116.21 1i16 s LEU 105 Ca 0.35 0.71 -0.11 0.00 0.06 0.00 0.00 54.13 55.14 1i16 s LEU 105 Cb 0.21 -2.50 0.00 0.00 -0.56 0.00 0.00 46.19 43.34 1i16 s LEU 105 CO 0.41 -3.99 1.06 -2.16 -1.06 0.00 0.00 176.35 170.61 1i16 s PRO 106 N -5.34 3.01 -1.21 1.48 0.04 -1.26 -4.97 135.00 126.75 1i16 s PRO 106 Ca 0.70 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 1i16 s PRO 106 Cb -0.11 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.51 1i16 s PRO 106 CO 0.56 -0.90 1.49 -0.51 0.04 0.00 0.00 177.00 177.68 1i16 s ASP 107 N -4.32 6.97 0.00 6.66 1.11 -1.26 -4.76 116.67 121.08 1i16 s ASP 107 Ca 0.57 -2.77 0.00 0.00 0.18 0.00 0.00 52.55 50.53 1i16 s ASP 107 Cb -0.11 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1i16 s ASP 107 CO 0.51 -0.89 0.00 0.61 1.18 0.00 0.00 175.17 176.59 1i16 n GLY 108 N 4.57 4.56 3.55 0.21 0.00 -1.26 -4.78 105.19 112.05 1i16 n GLY 108 Ca 0.39 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 4.87 3.14 -0.56 1.61 0.04 -1.26 0.43 135.00 143.27 1i16 s PRO 109 Ca 0.00 -0.22 -0.24 0.00 0.04 0.00 0.00 61.00 60.58 1i16 s PRO 109 Cb 0.00 -4.35 0.05 0.00 0.04 0.00 0.00 34.50 30.24 1i16 s PRO 109 CO 0.00 -2.26 0.92 0.54 0.04 0.00 0.00 177.00 176.24 1i16 s VAL 110 N 6.19 4.42 -0.12 -0.36 0.11 -1.26 -4.88 120.40 124.51 1i16 s VAL 110 Ca 0.41 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.39 1i16 s VAL 110 Cb -0.08 -4.54 -0.03 0.00 -1.53 0.00 0.00 36.38 30.20 1i16 s VAL 110 CO 0.13 -1.13 0.62 -0.89 -3.33 0.00 0.00 175.10 170.50 1i16 s THR 111 N 3.85 5.07 0.18 5.04 2.01 -1.26 0.10 115.64 130.63 1i16 s THR 111 Ca 0.28 1.24 0.07 0.00 0.31 0.00 0.00 61.69 63.59 1i16 s THR 111 Cb -0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1i16 s THR 111 CO 0.17 0.23 0.04 0.27 -0.69 0.00 0.00 174.62 174.64 1i16 s ILE 112 N 1.10 3.94 -0.25 1.82 -4.36 0.84 0.21 121.20 124.50 1i16 s ILE 112 Ca 0.32 -1.35 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1i16 s ILE 112 Cb -0.16 -3.00 0.08 0.00 1.25 0.00 0.00 42.46 40.63 1i16 s ILE 112 CO 0.14 -0.13 0.09 -0.69 0.24 0.00 0.00 174.94 174.59 1i16 s VAL 113 N -1.77 0.34 0.49 8.37 1.01 -0.84 -0.91 120.40 127.09 1i16 s VAL 113 Ca 0.29 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1i16 s VAL 113 Cb -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1i16 s VAL 113 CO 0.20 -0.51 0.34 0.27 0.00 0.00 0.00 175.10 175.41 1i16 s ILE 114 N 1.91 1.98 -0.20 2.22 -4.36 -1.17 -1.70 121.20 119.88 1i16 s ILE 114 Ca 0.05 -1.52 -0.08 0.00 -0.26 0.00 0.00 60.65 58.85 1i16 s ILE 114 Cb -0.17 -2.49 0.08 0.00 1.25 0.00 0.00 42.46 41.13 1i16 s ILE 114 CO -0.22 0.00 0.43 -0.60 0.24 0.00 0.00 174.94 174.79 1i16 s ARG 115 N -4.16 0.36 -0.28 0.37 3.52 -1.26 -2.06 118.95 115.43 1i16 s ARG 115 Ca 0.38 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.98 1i16 s ARG 115 Cb -0.01 0.25 0.08 0.00 -1.56 0.00 0.00 34.95 33.70 1i16 s ARG 115 CO 0.22 -0.22 -0.02 -0.98 -0.81 0.00 0.00 175.30 173.49 1i16 s ARG 116 N 2.27 1.61 -1.01 5.12 1.04 -0.77 -3.26 118.95 123.96 1i16 s ARG 116 Ca -0.04 -1.34 -0.25 0.00 -1.04 0.00 0.00 55.73 53.06 1i16 s ARG 116 Cb -0.11 -2.77 -0.11 0.00 -2.04 0.00 0.00 34.95 29.93 1i16 s ARG 116 CO -0.13 -0.74 2.05 0.15 -0.04 0.00 0.00 175.30 176.59 1i16 s LYS 117 N 1.21 2.14 0.26 3.89 -0.14 -1.26 -3.09 119.74 122.75 1i16 s LYS 117 Ca 0.00 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1i16 s LYS 117 Cb -0.19 -5.06 0.00 0.00 -1.68 0.00 0.00 37.83 30.90 1i16 s LYS 117 CO -0.09 -4.12 0.00 0.43 -0.76 0.00 0.00 175.35 170.81 1i16 n SER 118 N 15.85 -9.25 -4.21 2.83 7.64 -1.26 -4.79 113.62 120.43 1i16 n SER 118 Ca 0.43 1.43 -0.30 0.00 1.01 0.00 0.00 58.87 61.44 1i16 n SER 118 Cb 0.46 -5.21 -0.16 0.00 -1.01 0.00 0.00 64.21 58.28 1i16 n SER 118 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1i16 s LEU 119 N -0.89 2.01 0.00 -3.43 2.96 -1.26 -5.00 118.68 113.07 1i16 s LEU 119 Ca 0.00 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1i16 s LEU 119 Cb 0.00 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.44 1i16 s LEU 119 CO 0.00 0.19 0.00 0.00 -1.32 0.00 0.00 176.35 175.22 1i16 n GLN 120 N 3.15 0.00 -0.78 1.98 6.02 -1.26 -4.93 117.38 121.56 1i16 n GLN 120 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 1i16 n GLN 120 Cb 0.52 -0.18 0.06 0.00 1.02 0.00 0.00 30.24 31.67 1i16 n GLN 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1i16 n SER 121 N 0.00 0.13 -4.21 1.08 2.88 -1.26 -5.11 113.62 107.13 1i16 n SER 121 Ca 0.00 -1.21 -0.13 0.00 -1.33 0.00 0.00 58.87 56.20 1i16 n SER 121 Cb 0.00 -0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 1i16 n SER 121 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1i16 s LYS 122 N -3.84 1.25 -0.12 -1.46 -2.85 -1.26 -5.08 119.74 106.37 1i16 s LYS 122 Ca 0.25 -1.66 -0.33 0.00 -1.00 0.00 0.00 55.97 53.23 1i16 s LYS 122 Cb -0.01 0.16 -0.10 0.00 -2.06 0.00 0.00 37.83 35.82 1i16 s LYS 122 CO 0.17 -0.37 2.00 -1.91 0.10 0.00 0.00 175.35 175.34 1i16 n GLU 123 N -0.31 2.12 -4.17 1.78 2.13 -1.26 -4.95 120.64 115.98 1i16 n GLU 123 Ca 0.02 0.73 -0.33 0.00 0.66 0.00 0.00 57.16 58.24 1i16 n GLU 123 Cb 0.66 -2.78 -0.08 0.00 0.27 0.00 0.00 31.44 29.51 1i16 n GLU 123 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1i16 s THR 124 N 5.29 4.50 0.17 6.31 2.01 -1.26 -5.10 115.64 127.56 1i16 s THR 124 Ca 0.96 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 1i16 s THR 124 Cb -0.61 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1i16 s THR 124 CO 0.47 0.35 0.36 0.41 -0.69 0.00 0.00 174.62 175.52 1i16 n THR 125 N 1.23 0.00 -3.12 -0.82 -1.04 -1.26 -5.11 114.28 104.15 1i16 n THR 125 Ca -0.13 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.03 1i16 n THR 125 Cb 0.53 0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 69.40 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 s ALA 126 N -1.47 3.35 -0.34 2.41 0.00 -1.26 -4.96 121.76 119.48 1i16 s ALA 126 Ca 0.07 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.73 1i16 s ALA 126 Cb -0.02 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 19.97 1i16 s ALA 126 CO 0.05 -1.86 0.57 0.00 0.00 0.00 0.00 175.76 174.52 1i16 s ALA 127 N 2.78 -2.15 -0.04 0.00 0.00 -1.26 -5.14 121.76 115.96 1i16 s ALA 127 Ca 0.20 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 1i16 s ALA 127 Cb -0.15 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 1i16 s ALA 127 CO 0.17 -2.00 0.50 0.20 0.00 0.00 0.00 175.76 174.63 1i16 s GLY 128 N 2.32 2.50 0.56 0.00 0.00 -1.26 -4.92 107.32 106.52 1i16 s GLY 128 Ca 0.13 -0.11 0.28 0.00 0.00 0.00 0.00 44.72 45.02 1i16 s GLY 128 CO -0.17 0.58 1.85 -1.80 0.00 0.00 0.00 173.10 173.56 1i16 h ASP 129 N 5.71 0.00 -0.02 1.64 3.58 -2.04 -3.57 116.42 121.72 1i16 h ASP 129 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1i16 h ASP 129 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1i16 h ASP 129 CO 0.69 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.85