#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 s PRO 2 N 0.00 2.77 -0.32 2.12 0.04 -1.26 -5.02 135.00 133.32 1i16 s PRO 2 Ca 0.00 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 1i16 s PRO 2 Cb 0.00 -1.99 0.29 0.00 0.04 0.00 0.00 34.50 32.84 1i16 s PRO 2 CO 0.00 -1.16 1.28 -0.40 0.04 0.00 0.00 177.00 176.76 1i16 n ASP 3 N -3.14 -1.22 -1.31 6.66 5.75 -1.26 -4.91 116.55 117.13 1i16 n ASP 3 Ca 0.07 -1.73 -0.16 0.00 -0.01 0.00 0.00 54.79 52.96 1i16 n ASP 3 Cb 0.55 0.75 -0.07 0.00 -1.03 0.00 0.00 41.12 41.32 1i16 n ASP 3 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i16 n LEU 4 N 1.32 -1.03 -4.58 -2.12 4.32 -1.26 -4.88 117.00 108.78 1i16 n LEU 4 Ca -0.00 0.40 -0.42 0.00 -0.02 0.00 0.00 56.01 55.97 1i16 n LEU 4 Cb 0.72 -2.65 -0.02 0.00 -1.62 0.00 0.00 43.42 39.84 1i16 n LEU 4 CO -0.14 -1.01 1.11 0.54 -1.22 0.00 0.00 177.39 176.67 1i16 s ASN 5 N -2.52 6.39 0.15 -1.43 4.22 -1.26 -4.54 114.94 115.96 1i16 s ASN 5 Ca 0.00 0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.79 1i16 s ASN 5 Cb 0.00 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.98 1i16 s ASN 5 CO 0.00 -1.54 0.00 -1.54 -2.04 0.00 0.00 177.10 171.98 1i16 n SER 6 N 8.64 -1.14 -2.36 3.54 3.41 -1.26 -4.92 113.62 119.53 1i16 n SER 6 Ca 0.08 0.29 -0.25 0.00 -0.26 0.00 0.00 58.87 58.73 1i16 n SER 6 Cb 0.49 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i16 n SER 7 N -2.85 6.55 -0.00 4.04 7.64 -1.26 -4.13 113.62 123.61 1i16 n SER 7 Ca 0.00 -3.22 0.06 0.00 1.01 0.00 0.00 58.87 56.73 1i16 n SER 7 Cb 0.00 -1.18 -0.08 0.00 -1.01 0.00 0.00 64.21 61.94 1i16 n SER 7 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i16 n THR 8 N 0.64 0.00 -3.87 0.44 -2.24 -1.26 -4.72 114.28 103.26 1i16 n THR 8 Ca 0.45 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.63 1i16 n THR 8 Cb 0.55 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1i16 n THR 8 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i16 s ASP 9 N -2.70 6.36 0.00 3.42 1.47 -1.26 -4.67 116.67 119.29 1i16 s ASP 9 Ca 0.01 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.19 1i16 s ASP 9 Cb 0.09 -2.06 0.00 0.00 -0.34 0.00 0.00 42.92 40.61 1i16 s ASP 9 CO 0.54 0.39 0.00 -0.24 0.68 0.00 0.00 175.17 176.54 1i16 n SER 10 N 2.13 0.00 -3.20 2.11 2.88 -1.26 -4.83 113.62 111.44 1i16 n SER 10 Ca -0.20 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.22 1i16 n SER 10 Cb 0.55 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 11 N 0.13 -2.35 -3.03 -1.46 0.00 -1.26 -4.99 120.51 107.54 1i16 n ALA 11 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1i16 n ALA 11 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.34 0.17 -0.12 0.00 0.00 -1.26 -4.99 121.76 114.22 1i16 s ALA 12 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1i16 s ALA 12 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1i16 s ALA 12 CO 0.42 0.01 0.01 0.43 0.00 0.00 0.00 175.76 176.63 1i16 n SER 13 N 3.29 -4.21 -0.04 0.00 7.64 -1.26 -4.92 113.62 114.11 1i16 n SER 13 Ca -0.16 0.57 -0.17 0.00 1.01 0.00 0.00 58.87 60.12 1i16 n SER 13 Cb 0.57 -2.71 -0.06 0.00 -1.01 0.00 0.00 64.21 61.00 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 h ALA 14 N 1.23 0.35 -0.00 -0.43 0.00 -2.04 -3.34 119.26 115.03 1i16 h ALA 14 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1i16 h ALA 14 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i16 h ALA 14 CO 0.04 0.68 -0.04 -1.13 0.00 0.00 0.00 179.25 178.80 1i16 n SER 15 N -3.96 0.49 -1.07 0.00 3.41 -1.26 -5.11 113.62 106.12 1i16 n SER 15 Ca -0.07 -0.74 0.03 0.00 -0.26 0.00 0.00 58.87 57.83 1i16 n SER 15 Cb 0.72 0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 16 N -0.60 -0.62 -3.62 7.33 0.00 -1.26 -4.99 120.51 116.76 1i16 n ALA 16 Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1i16 n ALA 16 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 17 N -2.03 -1.22 0.30 0.00 0.00 -1.26 -5.12 121.76 112.44 1i16 s ALA 17 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 1i16 s ALA 17 Cb 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 1i16 s ALA 17 CO 0.00 -0.92 0.81 -1.54 0.00 0.00 0.00 175.76 174.10 1i16 s SER 18 N -2.87 7.01 -0.30 0.00 1.04 -1.26 -4.97 113.70 112.35 1i16 s SER 18 Ca 0.09 1.51 0.08 0.00 0.48 0.00 0.00 55.95 58.10 1i16 s SER 18 Cb -0.04 -2.46 0.29 0.00 0.10 0.00 0.00 66.02 63.92 1i16 s SER 18 CO 0.00 -0.12 1.26 0.47 0.98 0.00 0.00 173.24 175.83 1i16 n ASP 19 N 0.16 -1.34 -3.55 7.02 9.92 -1.26 -5.14 116.55 122.36 1i16 n ASP 19 Ca 0.02 -2.02 -0.06 0.00 -0.53 0.00 0.00 54.79 52.19 1i16 n ASP 19 Cb 0.52 0.74 -0.02 0.00 -0.64 0.00 0.00 41.12 41.72 1i16 n ASP 19 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i16 s VAL 20 N 0.12 0.00 0.52 2.53 0.11 -1.26 -5.15 120.40 117.27 1i16 s VAL 20 Ca 0.11 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 1i16 s VAL 20 Cb 0.31 -1.11 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1i16 s VAL 20 CO -0.08 0.00 1.17 -0.55 -3.33 0.00 0.00 175.10 172.31 1i16 s SER 21 N -2.44 5.75 -0.32 3.54 0.15 -1.26 -4.97 113.70 114.14 1i16 s SER 21 Ca 0.07 2.29 0.17 0.00 0.70 0.00 0.00 55.95 59.18 1i16 s SER 21 Cb -0.01 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.16 1i16 s SER 21 CO -0.07 -1.21 1.13 0.55 1.20 0.00 0.00 173.24 174.84 1i16 n VAL 22 N -1.07 0.78 0.00 4.45 3.14 -1.26 -5.11 118.33 119.25 1i16 n VAL 22 Ca 0.10 -2.52 0.00 0.00 -2.96 0.00 0.00 64.34 58.96 1i16 n VAL 22 Cb 0.49 0.93 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1i16 n GLU 23 N -0.45 0.00 0.00 1.45 -0.00 -1.26 -5.07 120.64 115.31 1i16 n GLU 23 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1i16 n GLU 23 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.27 1i16 n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i16 n SER 24 N -1.42 0.00 -0.97 -1.84 2.88 -1.26 -5.16 113.62 105.85 1i16 n SER 24 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1i16 n SER 24 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1i16 n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1i16 n THR 25 N -0.96 0.00 -2.67 2.46 -2.24 -1.26 -4.91 114.28 104.69 1i16 n THR 25 Ca 0.00 0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1i16 n THR 25 Cb 0.00 -0.41 0.06 0.00 -2.10 0.00 0.00 70.33 67.88 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 26 N -2.03 -2.36 -2.32 6.98 0.00 -1.26 -5.07 120.51 114.45 1i16 n ALA 26 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1i16 n ALA 26 Cb 0.61 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 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 0.01 -3.11 -3.31 0.00 1.02 -1.26 -5.07 120.64 108.92 1i16 n GLU 27 Ca -0.13 2.51 0.00 0.00 -0.02 0.00 0.00 57.16 59.52 1i16 n GLU 27 Cb 0.72 -4.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 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 1.01 0.00 -2.77 0.62 0.00 -1.26 -4.72 120.51 113.38 1i16 n ALA 28 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1i16 n ALA 28 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.17 0.40 0.07 0.00 -4.23 -0.48 -4.87 115.64 104.36 1i16 s THR 29 Ca 0.00 -0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1i16 s THR 29 Cb 0.00 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 1i16 s THR 29 CO 0.00 0.06 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.23 1i16 s VAL 30 N -0.23 1.82 -0.39 2.29 1.01 -1.26 -0.61 120.40 123.02 1i16 s VAL 30 Ca 0.01 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.61 1i16 s VAL 30 Cb -0.03 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.90 1i16 s VAL 30 CO -0.00 0.14 0.26 0.00 0.00 0.00 0.00 175.10 175.50 1i16 s THR 32 N 0.61 3.59 0.08 0.00 2.01 -1.26 -3.43 115.64 117.25 1i16 s THR 32 Ca 0.22 0.94 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1i16 s THR 32 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1i16 s THR 32 CO -0.05 -0.02 -0.06 0.68 -0.69 0.00 0.00 174.62 174.48 1i16 s VAL 33 N 2.76 0.57 -0.10 3.82 -7.23 0.04 -4.94 120.40 115.32 1i16 s VAL 33 Ca 0.67 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1i16 s VAL 33 Cb -0.33 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1i16 s VAL 33 CO 0.27 -0.88 -0.18 0.42 -0.31 0.00 0.00 175.10 174.42 1i16 s THR 34 N -3.59 2.62 -0.83 5.32 -4.23 -1.26 0.28 115.64 113.95 1i16 s THR 34 Ca 0.10 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1i16 s THR 34 Cb 0.05 -2.05 0.30 0.00 1.34 0.00 0.00 72.50 72.14 1i16 s THR 34 CO -0.06 0.55 1.19 0.18 -0.54 0.00 0.00 174.62 175.94 1i16 n LEU 35 N 3.32 5.32 -0.39 4.79 4.77 0.37 -4.79 117.00 130.39 1i16 n LEU 35 Ca -0.18 -5.40 -0.03 0.00 -0.03 0.00 0.00 56.01 50.36 1i16 n LEU 35 Cb 0.53 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1i16 n LEU 35 CO 0.29 1.99 0.19 -1.84 -1.33 0.00 0.00 177.39 176.69 1i16 n GLU 36 N 0.68 0.00 -2.93 3.23 0.28 -1.25 -4.22 120.64 116.43 1i16 n GLU 36 Ca 0.31 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.88 1i16 n GLU 36 Cb 0.36 -0.13 -0.05 0.00 1.43 0.00 0.00 31.44 33.05 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 0.78 3.33 -0.01 3.44 2.20 0.23 -4.83 119.74 124.88 1i16 s LYS 37 Ca 0.12 -0.28 0.17 0.00 -0.36 0.00 0.00 55.97 55.61 1i16 s LYS 37 Cb -0.11 -4.01 -0.21 0.00 -1.51 0.00 0.00 37.83 31.99 1i16 s LYS 37 CO 0.04 -1.31 0.60 0.00 -0.36 0.00 0.00 175.35 174.33 1i16 n MET 38 N 7.00 1.17 0.00 4.03 0.00 -1.26 -1.65 117.12 126.41 1i16 n MET 38 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1i16 n MET 38 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1i16 n MET 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1i16 n SER 39 N -1.62 0.00 0.00 3.17 7.64 -1.26 -4.97 113.62 116.57 1i16 n SER 39 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1i16 n SER 39 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 0.00 0.00 -0.43 0.00 -1.26 -5.05 120.51 113.77 1i16 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.13 2.57 0.00 0.00 -1.26 -4.80 105.19 101.58 1i16 n GLY 41 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 0.51 -0.25 0.99 4.77 -1.26 -1.83 117.00 119.93 1i16 n LEU 42 Ca 0.00 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1i16 n LEU 42 Cb 0.00 -1.75 -0.01 0.00 -2.33 0.00 0.00 43.42 39.33 1i16 n LEU 42 CO 0.00 -0.62 -0.03 0.61 -1.33 0.00 0.00 177.39 176.02 1i16 n GLY 43 N 0.56 0.26 3.12 -0.72 0.00 -1.26 -4.85 105.19 102.30 1i16 n GLY 43 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.06 0.38 0.05 1.61 -0.12 -0.76 0.27 117.98 118.35 1i16 s PHE 44 Ca 0.00 -0.87 0.06 0.00 -0.05 0.00 0.00 56.93 56.07 1i16 s PHE 44 Cb 0.00 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1i16 s PHE 44 CO 0.00 -0.42 -0.18 0.45 -0.05 0.00 0.00 175.22 175.02 1i16 s SER 45 N -2.81 2.13 -0.08 1.98 0.15 -0.66 -4.94 113.70 109.47 1i16 s SER 45 Ca 0.05 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 56.08 1i16 s SER 45 Cb 0.06 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1i16 s SER 45 CO -0.10 0.09 0.25 -0.76 1.20 0.00 0.00 173.24 173.92 1i16 s LEU 46 N -1.28 4.42 0.10 3.45 1.02 -1.26 -1.36 118.68 123.77 1i16 s LEU 46 Ca 0.05 0.66 0.04 0.00 0.02 0.00 0.00 54.13 54.89 1i16 s LEU 46 Cb -0.09 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 1i16 s LEU 46 CO 0.02 0.37 -0.10 -1.61 0.02 0.00 0.00 176.35 175.05 1i16 s GLU 47 N -1.00 0.87 0.00 1.70 0.41 0.49 -4.84 118.70 116.33 1i16 s GLU 47 Ca 0.18 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 1i16 s GLU 47 Cb -0.14 -0.54 0.00 0.00 -1.78 0.00 0.00 34.13 31.67 1i16 s GLU 47 CO 0.08 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1i16 n GLY 48 N 0.47 1.05 7.00 -1.39 0.00 -1.26 -0.41 105.19 110.65 1i16 n GLY 48 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.79 3.37 -0.02 0.00 -1.26 -4.56 105.19 103.50 1i16 n GLY 49 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1i16 n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i16 n LYS 50 N 0.00 0.10 -1.93 1.61 5.02 -1.26 -3.83 118.16 117.87 1i16 n LYS 50 Ca 0.00 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 1i16 n LYS 50 Cb 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i16 n GLY 51 N 5.59 -3.35 2.33 0.72 0.00 -1.19 -4.99 105.19 104.30 1i16 n GLY 51 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 1.82 -0.30 0.00 1.61 7.64 -1.04 -4.97 113.62 118.39 1i16 n SER 52 Ca 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1i16 n SER 52 Cb 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1i16 n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 53 N -0.83 0.00 0.00 -3.43 7.94 -1.26 -4.85 117.00 114.57 1i16 n LEU 53 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1i16 n LEU 53 Cb 0.86 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.81 1i16 n LEU 53 CO -0.08 0.00 0.01 1.57 -1.11 0.00 0.00 177.39 177.78 1i16 n HIS 54 N -0.33 0.00 0.00 1.96 -0.00 -1.26 -5.00 115.22 110.59 1i16 n HIS 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1i16 n HIS 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1i16 n GLY 55 N 0.03 -0.58 3.87 1.57 0.00 -1.26 -5.18 105.19 103.65 1i16 n GLY 55 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1i16 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 56 N 0.00 -0.02 -0.74 1.61 -1.08 -1.26 -5.04 116.67 110.14 1i16 s ASP 56 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1i16 s ASP 56 Cb 0.00 0.35 0.18 0.00 -1.46 0.00 0.00 42.92 41.99 1i16 s ASP 56 CO 0.00 -0.68 0.57 -1.59 0.52 0.00 0.00 175.17 173.98 1i16 s LYS 57 N -2.24 2.76 -1.40 4.34 0.00 -1.25 -2.49 119.74 119.46 1i16 s LYS 57 Ca 0.23 -3.05 -0.13 0.00 0.00 0.00 0.00 55.97 53.02 1i16 s LYS 57 Cb -0.01 -3.70 0.08 0.00 0.00 0.00 0.00 37.83 34.20 1i16 s LYS 57 CO 0.02 -1.23 2.11 -0.35 0.00 0.00 0.00 175.35 175.90 1i16 n PRO 58 N 2.60 3.08 -1.44 1.78 -0.04 -1.26 -4.56 135.00 135.16 1i16 n PRO 58 Ca 0.16 -2.88 -0.58 0.00 -0.04 0.00 0.00 63.50 60.15 1i16 n PRO 58 Cb 0.36 -3.19 -0.10 0.00 -0.04 0.00 0.00 33.50 30.53 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 5.53 1.40 -4.32 1.53 4.77 -1.26 -4.62 117.00 120.02 1i16 n LEU 59 Ca 0.48 0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 57.01 1i16 n LEU 59 Cb 0.38 -1.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.34 1i16 n LEU 59 CO 0.87 -0.72 -0.46 0.42 -1.33 0.00 0.00 177.39 176.17 1i16 s THR 60 N 5.55 1.72 -0.04 -5.08 -4.23 0.45 -2.79 115.64 111.22 1i16 s THR 60 Ca 1.12 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 1i16 s THR 60 Cb -1.28 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1i16 s THR 60 CO 0.64 -0.44 1.10 -0.63 -0.54 0.00 0.00 174.62 174.75 1i16 s ILE 61 N -2.41 4.50 -0.02 2.99 1.01 -1.17 0.19 121.20 126.29 1i16 s ILE 61 Ca 0.17 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.57 1i16 s ILE 61 Cb -0.04 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1i16 s ILE 61 CO 0.06 0.05 -0.11 -0.46 0.00 0.00 0.00 174.94 174.48 1i16 n ASN 62 N 4.72 1.09 -4.37 3.58 6.94 -0.46 0.01 115.26 126.77 1i16 n ASN 62 Ca 0.09 0.16 -0.46 0.00 -0.02 0.00 0.00 54.58 54.36 1i16 n ASN 62 Cb 0.48 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1i16 s ARG 63 N -2.23 3.36 -0.06 -3.83 1.81 -1.24 -4.90 118.95 111.86 1i16 s ARG 63 Ca -0.10 -1.88 -0.06 0.00 -1.72 0.00 0.00 55.73 51.97 1i16 s ARG 63 Cb 0.02 -4.47 -0.04 0.00 -0.45 0.00 0.00 34.95 30.01 1i16 s ARG 63 CO 0.13 -1.47 0.19 0.42 -0.68 0.00 0.00 175.30 173.89 1i16 s ILE 64 N 1.63 5.42 0.39 1.52 1.01 -1.26 -1.65 121.20 128.26 1i16 s ILE 64 Ca 0.17 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.05 1i16 s ILE 64 Cb -0.16 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1i16 s ILE 64 CO -0.03 0.49 0.35 -0.36 0.00 0.00 0.00 174.94 175.39 1i16 s PHE 65 N -1.16 2.77 -0.60 3.97 0.08 0.76 -4.96 117.98 118.84 1i16 s PHE 65 Ca 0.21 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.88 1i16 s PHE 65 Cb -0.13 -2.04 0.34 0.00 -0.57 0.00 0.00 43.02 40.62 1i16 s PHE 65 CO 0.11 -0.02 0.99 1.17 -0.10 0.00 0.00 175.22 177.37 1i16 n LYS 66 N -1.48 3.34 -3.89 0.44 3.00 -1.26 -4.86 118.16 113.44 1i16 n LYS 66 Ca 0.02 -4.86 -0.33 0.00 -0.00 0.00 0.00 58.31 53.14 1i16 n LYS 66 Cb 0.61 -2.25 -0.13 0.00 0.00 0.00 0.00 35.03 33.26 1i16 n LYS 66 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1i16 s GLY 67 N -3.37 2.21 0.36 3.14 0.00 -1.26 -5.04 107.32 103.36 1i16 s GLY 67 Ca 0.48 -2.89 0.00 0.00 0.00 0.00 0.00 44.72 42.31 1i16 s GLY 67 CO -0.14 1.01 0.00 0.00 0.00 0.00 0.00 173.10 173.97 1i16 n ALA 68 N 3.83 -2.96 0.00 3.20 0.00 -1.26 -4.92 120.51 118.40 1i16 n ALA 68 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1i16 n ALA 68 Cb 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 69 N -2.92 0.00 -0.94 0.00 0.00 -1.26 -5.02 120.51 110.37 1i16 n ALA 69 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1i16 n ALA 69 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1i16 n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 70 N 0.00 -3.86 -2.26 0.00 7.64 -1.26 -3.61 113.62 110.27 1i16 n SER 70 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1i16 n SER 70 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i16 n GLU 71 N -0.69 2.83 -4.23 1.43 4.71 -1.26 -4.97 120.64 118.48 1i16 n GLU 71 Ca 0.00 -3.44 -0.28 0.00 -0.01 0.00 0.00 57.16 53.43 1i16 n GLU 71 Cb 0.00 -2.28 -0.09 0.00 -1.01 0.00 0.00 31.44 28.06 1i16 n GLU 71 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1i16 s GLN 72 N -3.77 2.24 -0.77 3.49 1.11 -1.24 -5.03 119.66 115.69 1i16 s GLN 72 Ca 0.62 -1.10 -0.25 0.00 0.01 0.00 0.00 55.36 54.64 1i16 s GLN 72 Cb 0.49 -2.31 -0.05 0.00 -1.01 0.00 0.00 33.01 30.13 1i16 s GLN 72 CO 0.00 0.47 2.03 -1.12 0.01 0.00 0.00 175.29 176.68 1i16 s SER 73 N -2.62 4.94 -0.13 5.90 0.01 -1.26 -4.27 113.70 116.27 1i16 s SER 73 Ca 0.25 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1i16 s SER 73 Cb -0.10 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1i16 s SER 73 CO 0.16 -2.82 0.14 -0.62 0.41 0.00 0.00 173.24 170.51 1i16 n GLU 74 N 8.96 -3.25 -0.89 12.44 4.71 -1.26 -4.81 120.64 136.53 1i16 n GLU 74 Ca 0.35 2.58 -0.13 0.00 -0.01 0.00 0.00 57.16 59.95 1i16 n GLU 74 Cb 0.48 -3.60 0.18 0.00 -1.01 0.00 0.00 31.44 27.49 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1i16 n THR 75 N 1.83 2.58 -4.03 2.62 -2.24 -1.26 -4.86 114.28 108.91 1i16 n THR 75 Ca -0.23 -1.39 -0.14 0.00 -2.27 0.00 0.00 64.05 60.02 1i16 n THR 75 Cb 0.39 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.51 0.23 -0.06 2.28 -7.23 -1.26 -4.84 120.40 107.01 1i16 s VAL 76 Ca 0.44 -0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.45 1i16 s VAL 76 Cb 0.36 -0.20 0.04 0.00 0.56 0.00 0.00 36.38 37.14 1i16 s VAL 76 CO 0.09 0.06 0.09 0.00 -0.31 0.00 0.00 175.10 175.03 1i16 s GLN 77 N -0.09 -0.04 0.26 4.82 0.00 -1.26 -5.13 119.66 118.22 1i16 s GLN 77 Ca 0.01 0.41 -0.30 0.00 -0.00 0.00 0.00 55.36 55.49 1i16 s GLN 77 Cb -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 33.01 32.41 1i16 s GLN 77 CO -0.00 -0.34 1.03 -1.25 0.00 0.00 0.00 175.29 174.73 1i16 s PRO 78 N 2.21 4.73 0.00 9.60 0.04 -1.26 -3.36 135.00 146.96 1i16 s PRO 78 Ca 0.04 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1i16 s PRO 78 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1i16 s PRO 78 CO -0.04 0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1i16 n GLY 79 N 1.31 0.77 3.80 0.56 0.00 0.10 -4.93 105.19 106.81 1i16 n GLY 79 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1i16 n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 80 N -2.55 7.16 -1.37 1.61 1.11 -1.21 -4.82 116.67 116.59 1i16 s ASP 80 Ca 0.00 1.65 -0.09 0.00 0.18 0.00 0.00 52.55 54.29 1i16 s ASP 80 Cb 0.00 -2.51 0.10 0.00 1.07 0.00 0.00 42.92 41.58 1i16 s ASP 80 CO 0.00 -0.09 2.23 1.21 1.18 0.00 0.00 175.17 179.69 1i16 n GLU 81 N 0.36 3.80 -1.67 8.23 2.13 -1.25 -3.07 120.64 129.16 1i16 n GLU 81 Ca 0.02 -3.18 -0.44 0.00 0.66 0.00 0.00 57.16 54.21 1i16 n GLU 81 Cb 0.51 -2.88 -0.04 0.00 0.27 0.00 0.00 31.44 29.31 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 3.17 0.67 0.07 6.31 5.41 -1.12 -4.13 119.36 129.74 1i16 n ILE 82 Ca 0.53 -0.12 -0.22 0.00 1.00 0.00 0.00 62.75 63.95 1i16 n ILE 82 Cb 0.32 -2.17 -0.15 0.00 -0.71 0.00 0.00 39.64 36.93 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 9.95 0.56 -9.13 1.39 3.38 -1.79 -3.43 115.31 116.23 1i16 h LEU 83 Ca -0.49 -0.92 -0.56 0.00 0.09 0.00 0.00 57.88 56.00 1i16 h LEU 83 Cb 1.25 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 1i16 h LEU 83 CO 0.94 1.58 -0.75 -1.10 0.09 0.00 0.00 178.44 179.20 1i16 s GLN 84 N -2.50 1.59 -0.43 1.13 -0.21 -1.26 0.28 119.66 118.26 1i16 s GLN 84 Ca -0.14 -1.73 0.03 0.00 0.02 0.00 0.00 55.36 53.54 1i16 s GLN 84 Cb 0.03 -1.58 0.16 0.00 1.00 0.00 0.00 33.01 32.63 1i16 s GLN 84 CO 0.84 0.27 0.32 -1.17 -2.12 0.00 0.00 175.29 173.44 1i16 s LEU 85 N -3.46 1.74 -0.04 2.90 2.96 0.37 -3.50 118.68 119.65 1i16 s LEU 85 Ca 0.28 -2.93 -0.00 0.00 -0.22 0.00 0.00 54.13 51.26 1i16 s LEU 85 Cb -0.03 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 46.07 1i16 s LEU 85 CO 0.13 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1i16 n GLY 86 N 3.06 -0.00 0.00 7.98 0.00 0.84 -2.35 105.19 114.72 1i16 n GLY 86 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N -0.96 0.22 3.62 -0.02 0.00 -1.26 -4.56 105.19 102.23 1i16 n GLY 87 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 0.00 -0.28 2.61 -1.32 -0.99 -4.25 115.64 111.20 1i16 s THR 88 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1i16 s THR 88 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1i16 s THR 88 CO 0.00 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.37 1i16 s ALA 89 N -0.41 2.74 0.58 11.08 0.00 -1.26 0.14 121.76 134.62 1i16 s ALA 89 Ca 0.04 -1.64 0.31 0.00 0.00 0.00 0.00 51.96 50.66 1i16 s ALA 89 Cb -0.03 -1.80 1.42 0.00 0.00 0.00 0.00 23.12 22.71 1i16 s ALA 89 CO -0.06 -1.08 1.80 0.52 0.00 0.00 0.00 175.76 176.93 1i16 h MET 90 N 7.98 0.00 -7.24 0.00 2.86 0.38 -3.37 114.93 115.55 1i16 h MET 90 Ca -0.25 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 56.88 1i16 h MET 90 Cb 1.08 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.84 1i16 h MET 90 CO 0.54 0.00 0.36 -0.65 1.06 0.00 0.00 176.91 178.22 1i16 s GLN 91 N -4.71 2.71 -1.61 1.72 -0.21 -1.24 -2.76 119.66 113.55 1i16 s GLN 91 Ca -0.04 1.30 -0.19 0.00 0.02 0.00 0.00 55.36 56.44 1i16 s GLN 91 Cb 0.18 -1.94 0.18 0.00 1.00 0.00 0.00 33.01 32.42 1i16 s GLN 91 CO 0.63 -1.31 0.60 0.41 -2.12 0.00 0.00 175.29 173.49 1i16 n GLY 92 N -0.81 -0.43 3.42 3.09 0.00 -1.26 -4.88 105.19 104.32 1i16 n GLY 92 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1i16 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i16 s LEU 93 N -6.98 -0.50 0.00 0.99 1.43 -1.11 -5.02 118.68 107.48 1i16 s LEU 93 Ca 0.70 1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 54.77 1i16 s LEU 93 Cb -0.40 1.76 0.26 0.00 0.03 0.00 0.00 46.19 47.85 1i16 s LEU 93 CO 0.86 -0.21 1.09 0.41 0.23 0.00 0.00 176.35 178.72 1i16 n THR 94 N 4.46 0.00 0.20 5.49 -1.04 -1.26 -4.69 114.28 117.44 1i16 n THR 94 Ca -0.20 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.05 61.12 1i16 n THR 94 Cb 0.56 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.69 1i16 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1i16 h ARG 95 N 0.00 -0.54 -0.31 -2.82 1.12 -1.89 0.20 114.38 110.14 1i16 h ARG 95 Ca -0.39 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.47 1i16 h ARG 95 Cb 1.16 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.23 1i16 h ARG 95 CO 0.26 -0.29 0.03 0.27 -3.11 0.00 0.00 179.97 177.13 1i16 h PHE 96 N -1.08 0.56 -0.72 2.20 -5.15 -1.91 -1.44 116.94 109.40 1i16 h PHE 96 Ca -0.06 -0.09 0.00 0.00 -0.20 0.00 0.00 57.97 57.63 1i16 h PHE 96 Cb 0.51 -0.15 -0.04 0.00 0.22 0.00 0.00 35.95 36.49 1i16 h PHE 96 CO 0.02 0.63 0.46 1.05 -2.00 0.00 0.00 178.31 178.46 1i16 h GLU 97 N 0.33 0.95 0.51 6.09 4.11 -1.94 -2.46 114.58 122.18 1i16 h GLU 97 Ca 0.09 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1i16 h GLU 97 Cb 0.39 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1i16 h GLU 97 CO 0.01 0.65 -0.25 0.00 0.07 0.00 0.00 179.01 179.49 1i16 h ALA 98 N 1.53 -0.82 0.00 1.06 0.00 -0.64 -2.97 119.26 117.41 1i16 h ALA 98 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i16 h ALA 98 Cb -0.09 0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1i16 h ALA 98 CO -0.05 -0.77 0.32 2.35 0.00 0.00 0.00 179.25 181.10 1i16 h TRP 99 N -0.98 0.00 0.01 0.00 -0.00 -1.21 -2.00 115.95 111.76 1i16 h TRP 99 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.82 1i16 h TRP 99 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 1i16 h TRP 99 CO 0.03 0.00 -0.00 -0.91 -0.00 0.00 0.00 178.44 177.56 1i16 h ASN 100 N 0.00 -0.01 -1.00 2.65 2.35 -1.28 -3.20 115.58 115.09 1i16 h ASN 100 Ca 0.00 -0.80 0.19 0.00 -0.55 0.00 0.00 56.30 55.13 1i16 h ASN 100 Cb 0.64 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 1i16 h ASN 100 CO 0.00 0.87 0.61 0.40 -1.65 0.00 0.00 177.43 177.66 1i16 h ILE 101 N -0.96 0.72 0.61 2.81 5.03 -1.31 -2.16 117.51 122.26 1i16 h ILE 101 Ca -0.00 -0.26 -0.03 0.00 -0.12 0.00 0.00 64.86 64.45 1i16 h ILE 101 Cb 0.81 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1i16 h ILE 101 CO 0.00 0.14 -0.35 0.40 -0.68 0.00 0.00 178.15 177.66 1i16 h ILE 102 N 0.76 0.00 -1.54 -0.67 5.03 -1.65 -1.29 117.51 118.15 1i16 h ILE 102 Ca 0.57 0.00 0.45 0.00 -0.12 0.00 0.00 64.86 65.76 1i16 h ILE 102 Cb 0.89 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.61 1i16 h ILE 102 CO -0.36 0.00 1.10 0.11 -0.68 0.00 0.00 178.15 178.32 1i16 h LYS 103 N -0.89 0.02 -0.00 2.37 1.57 -1.40 2.61 116.57 120.84 1i16 h LYS 103 Ca -0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i16 h LYS 103 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1i16 h LYS 103 CO 0.10 0.01 -0.08 0.00 -0.57 0.00 0.00 179.45 178.91 1i16 n ALA 104 N -2.81 2.69 -0.99 3.86 0.00 -0.55 -4.88 120.51 117.83 1i16 n ALA 104 Ca 0.35 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1i16 n ALA 104 Cb 1.59 -1.38 0.24 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.50 0.57 0.65 0.00 0.05 0.87 -5.02 118.68 113.30 1i16 s LEU 105 Ca 0.29 0.74 -0.09 0.00 0.05 0.00 0.00 54.13 55.12 1i16 s LEU 105 Cb 0.20 -2.48 0.02 0.00 -2.05 0.00 0.00 46.19 41.87 1i16 s LEU 105 CO 0.47 -4.19 1.00 -2.16 -0.55 0.00 0.00 176.35 170.93 1i16 s PRO 106 N -5.29 2.83 -1.01 1.48 0.04 -1.26 -4.98 135.00 126.81 1i16 s PRO 106 Ca 0.70 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.74 1i16 s PRO 106 Cb -0.12 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1i16 s PRO 106 CO 0.57 -0.90 1.31 -0.51 0.04 0.00 0.00 177.00 177.50 1i16 s ASP 107 N -4.35 6.63 0.00 6.66 1.11 -1.26 -4.81 116.67 120.65 1i16 s ASP 107 Ca 0.56 -1.93 0.00 0.00 0.18 0.00 0.00 52.55 51.36 1i16 s ASP 107 Cb -0.11 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1i16 s ASP 107 CO 0.48 -1.21 0.00 0.61 1.18 0.00 0.00 175.17 176.24 1i16 n GLY 108 N 5.88 3.78 3.55 0.21 0.00 -0.66 -4.76 105.19 113.19 1i16 n GLY 108 Ca 0.30 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 3.67 3.08 -0.48 1.61 0.04 -1.26 0.77 135.00 142.42 1i16 s PRO 109 Ca 0.00 -0.25 -0.24 0.00 0.04 0.00 0.00 61.00 60.55 1i16 s PRO 109 Cb 0.00 -4.60 0.03 0.00 0.04 0.00 0.00 34.50 29.97 1i16 s PRO 109 CO 0.00 -2.44 0.88 0.54 0.04 0.00 0.00 177.00 176.01 1i16 s VAL 110 N 6.85 4.52 -0.06 -0.36 0.11 -1.26 -4.85 120.40 125.35 1i16 s VAL 110 Ca 0.49 0.49 -0.21 0.00 -2.93 0.00 0.00 61.98 59.82 1i16 s VAL 110 Cb -0.07 -4.42 -0.04 0.00 -1.53 0.00 0.00 36.38 30.32 1i16 s VAL 110 CO 0.09 -0.87 0.61 0.28 -3.33 0.00 0.00 175.10 171.88 1i16 s THR 111 N 3.63 5.05 0.20 5.04 -1.32 -1.26 0.14 115.64 127.12 1i16 s THR 111 Ca 0.32 1.26 0.09 0.00 -1.21 0.00 0.00 61.69 62.15 1i16 s THR 111 Cb -0.12 -3.95 -0.04 0.00 -1.51 0.00 0.00 72.50 66.88 1i16 s THR 111 CO 0.23 0.31 -0.08 0.27 -2.21 0.00 0.00 174.62 173.15 1i16 s ILE 112 N 0.50 3.24 -0.42 5.08 -4.36 0.79 0.29 121.20 126.31 1i16 s ILE 112 Ca 0.33 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1i16 s ILE 112 Cb -0.17 -2.64 0.13 0.00 1.25 0.00 0.00 42.46 41.03 1i16 s ILE 112 CO 0.16 -0.18 0.23 -0.69 0.24 0.00 0.00 174.94 174.69 1i16 s VAL 113 N -1.88 1.19 -0.09 8.37 1.01 -1.23 -0.78 120.40 126.99 1i16 s VAL 113 Ca 0.27 -2.39 -0.20 0.00 0.00 0.00 0.00 61.98 59.66 1i16 s VAL 113 Cb -0.08 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1i16 s VAL 113 CO 0.16 -0.90 0.58 0.27 0.00 0.00 0.00 175.10 175.21 1i16 s ILE 114 N 0.51 5.12 -0.24 2.22 -5.25 -1.22 -2.66 121.20 119.68 1i16 s ILE 114 Ca 0.17 1.17 -0.01 0.00 -0.99 0.00 0.00 60.65 61.00 1i16 s ILE 114 Cb -0.24 -3.91 0.07 0.00 2.95 0.00 0.00 42.46 41.32 1i16 s ILE 114 CO 0.00 0.30 0.01 -0.60 -1.79 0.00 0.00 174.94 172.86 1i16 s ARG 115 N 0.67 1.06 -0.18 0.37 3.52 -1.26 -0.00 118.95 123.13 1i16 s ARG 115 Ca 0.31 -0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 55.00 1i16 s ARG 115 Cb -0.16 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 1i16 s ARG 115 CO 0.14 -0.70 0.11 1.03 -0.81 0.00 0.00 175.30 175.06 1i16 s ARG 116 N 1.60 4.01 -1.21 5.12 0.52 0.22 -3.97 118.95 125.24 1i16 s ARG 116 Ca -0.00 -0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 54.78 1i16 s ARG 116 Cb -0.18 -3.32 0.09 0.00 0.52 0.00 0.00 34.95 32.06 1i16 s ARG 116 CO -0.11 0.36 1.58 0.15 0.02 0.00 0.00 175.30 177.31 1i16 s LYS 117 N 0.15 3.92 2.14 3.54 1.02 -1.26 -1.39 119.74 127.87 1i16 s LYS 117 Ca 0.08 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.09 1i16 s LYS 117 Cb -0.11 -5.36 0.00 0.00 -0.52 0.00 0.00 37.83 31.84 1i16 s LYS 117 CO -0.01 -2.11 0.00 0.45 -0.92 0.00 0.00 175.35 172.77 1i16 n SER 118 N 7.72 -1.38 -1.90 2.83 2.88 -1.26 -4.96 113.62 117.56 1i16 n SER 118 Ca 0.42 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.95 1i16 n SER 118 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1i16 n SER 118 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1i16 n LEU 119 N 0.00 -3.34 0.26 2.46 7.94 -1.26 -4.88 117.00 118.18 1i16 n LEU 119 Ca 0.00 0.02 0.18 0.00 -1.11 0.00 0.00 56.01 55.10 1i16 n LEU 119 Cb 0.00 -1.62 0.88 0.00 0.53 0.00 0.00 43.42 43.22 1i16 n LEU 119 CO 0.00 -0.38 1.03 0.06 -1.11 0.00 0.00 177.39 176.99 1i16 h GLN 120 N 0.22 0.00 0.00 1.96 3.07 -2.01 -3.46 115.11 114.90 1i16 h GLN 120 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1i16 h GLN 120 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1i16 h GLN 120 CO 0.07 0.00 0.00 0.43 0.09 0.00 0.00 178.83 179.42 1i16 n SER 121 N -2.82 0.00 -4.76 0.06 7.64 -1.26 -4.73 113.62 107.76 1i16 n SER 121 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 1i16 n SER 121 Cb 0.14 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 1i16 n SER 121 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1i16 s LYS 122 N 0.00 2.97 -0.01 1.43 -2.85 -1.26 -5.05 119.74 114.96 1i16 s LYS 122 Ca 0.00 -0.55 -0.03 0.00 -1.00 0.00 0.00 55.97 54.39 1i16 s LYS 122 Cb 0.00 -2.79 -0.02 0.00 -2.06 0.00 0.00 37.83 32.96 1i16 s LYS 122 CO 0.00 0.63 0.38 0.93 0.10 0.00 0.00 175.35 177.39 1i16 h GLU 123 N 4.02 -0.11 0.00 1.78 5.08 -2.03 -3.48 114.58 119.83 1i16 h GLU 123 Ca -0.49 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1i16 h GLU 123 Cb 1.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1i16 h GLU 123 CO 0.62 -0.07 0.00 -2.37 -1.00 0.00 0.00 179.01 176.18 1i16 n THR 124 N -2.79 0.00 -1.57 1.13 5.66 -1.26 -5.14 114.28 110.31 1i16 n THR 124 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1i16 n THR 124 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1i16 n THR 124 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i16 n THR 125 N -1.37 0.00 -3.55 1.09 -1.04 -1.26 -4.54 114.28 103.62 1i16 n THR 125 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1i16 n THR 125 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -1.31 3.68 0.00 2.41 0.00 -1.26 -5.01 121.76 120.27 1i16 s ALA 126 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1i16 s ALA 126 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1i16 s ALA 126 CO 0.00 0.59 0.00 0.00 0.00 0.00 0.00 175.76 176.35 1i16 n ALA 127 N -0.04 2.12 -1.00 0.00 0.00 -1.26 -5.12 120.51 115.21 1i16 n ALA 127 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1i16 n ALA 127 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1i16 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 128 N 1.53 1.02 3.64 0.00 0.00 -1.26 -4.43 105.19 105.69 1i16 n GLY 128 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1i16 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 129 N -4.00 6.73 0.00 1.61 -1.08 -1.26 -5.32 116.67 113.35 1i16 s ASP 129 Ca 0.00 0.90 0.30 0.00 -0.52 0.00 0.00 52.55 53.24 1i16 s ASP 129 Cb 0.00 -2.39 1.59 0.00 -1.46 0.00 0.00 42.92 40.66 1i16 s ASP 129 CO 0.00 -0.41 2.05 -1.54 0.52 0.00 0.00 175.17 175.79