#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 3.49 -0.46 3.17 0.04 -1.26 -4.96 135.00 135.02 1i16 s PRO 2 Ca 0.00 -1.38 -0.28 0.00 0.04 0.00 0.00 61.00 59.38 1i16 s PRO 2 Cb 0.00 -5.38 0.03 0.00 0.04 0.00 0.00 34.50 29.19 1i16 s PRO 2 CO 0.00 -2.59 1.09 -0.51 0.04 0.00 0.00 177.00 175.03 1i16 s ASP 3 N 5.22 6.63 0.04 6.66 1.01 -1.26 -5.01 116.67 129.97 1i16 s ASP 3 Ca 0.55 0.45 0.01 0.00 0.71 0.00 0.00 52.55 54.26 1i16 s ASP 3 Cb 0.01 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.41 1i16 s ASP 3 CO 0.01 -1.18 0.05 0.18 0.21 0.00 0.00 175.17 174.44 1i16 n LEU 4 N 7.63 0.00 0.00 1.23 4.32 -1.26 -5.12 117.00 123.80 1i16 n LEU 4 Ca 0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1i16 n LEU 4 Cb 0.49 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1i16 n LEU 4 CO 0.69 -0.47 0.00 -0.46 -1.22 0.00 0.00 177.39 175.93 1i16 n ASN 5 N -2.78 0.00 0.00 -1.43 6.94 -1.26 -5.09 115.26 111.64 1i16 n ASN 5 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1i16 n ASN 5 Cb 0.04 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1i16 n ASN 5 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1i16 n SER 6 N 0.00 0.00 0.00 0.53 2.88 -1.26 -5.04 113.62 110.73 1i16 n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1i16 n SER 6 Cb 0.00 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1i16 n SER 7 N -1.87 0.00 0.04 -3.46 7.64 -1.26 -5.06 113.62 109.65 1i16 n SER 7 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1i16 n SER 7 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.25 0.00 -5.01 0.44 -2.24 -1.26 -5.13 114.28 100.84 1i16 n THR 8 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1i16 n THR 8 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1i16 n THR 8 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i16 s ASP 9 N -1.25 2.50 -0.10 3.42 -1.08 -1.26 -5.06 116.67 113.85 1i16 s ASP 9 Ca 0.00 -0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 1i16 s ASP 9 Cb 0.00 -0.60 0.05 0.00 -1.46 0.00 0.00 42.92 40.90 1i16 s ASP 9 CO 0.00 0.20 0.22 -0.55 0.52 0.00 0.00 175.17 175.56 1i16 s SER 10 N -0.14 -0.05 0.00 -0.34 0.15 -1.26 -5.14 113.70 106.92 1i16 s SER 10 Ca -0.01 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1i16 s SER 10 Cb -0.11 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1i16 s SER 10 CO 0.02 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.28 1i16 n ALA 11 N 4.48 0.00 -1.93 5.45 0.00 -1.26 -5.05 120.51 122.21 1i16 n ALA 11 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1i16 n ALA 11 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.92 3.09 -0.26 0.00 0.00 -1.26 -5.09 121.76 114.31 1i16 s ALA 12 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1i16 s ALA 12 Cb 0.00 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.57 1i16 s ALA 12 CO 0.00 -1.33 0.59 0.45 0.00 0.00 0.00 175.76 175.47 1i16 s SER 13 N -4.52 -0.87 -0.30 0.00 0.15 -1.26 -5.13 113.70 101.77 1i16 s SER 13 Ca 0.60 1.39 -0.09 0.00 0.70 0.00 0.00 55.95 58.55 1i16 s SER 13 Cb -0.11 1.82 0.18 0.00 -1.71 0.00 0.00 66.02 66.21 1i16 s SER 13 CO 0.45 -0.22 0.91 0.00 1.20 0.00 0.00 173.24 175.58 1i16 s ALA 14 N 2.50 -3.08 -0.63 5.45 0.00 -1.26 -5.02 121.76 119.74 1i16 s ALA 14 Ca -0.06 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1i16 s ALA 14 Cb -0.10 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1i16 s ALA 14 CO -0.17 -1.42 0.64 -1.13 0.00 0.00 0.00 175.76 173.68 1i16 n SER 15 N 5.46 -5.99 -4.76 0.00 3.41 -1.26 -4.90 113.62 105.58 1i16 n SER 15 Ca -0.05 -0.33 -0.30 0.00 -0.26 0.00 0.00 58.87 57.92 1i16 n SER 15 Cb 0.53 -2.78 0.10 0.00 -0.26 0.00 0.00 64.21 61.80 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 s ALA 16 N -2.41 2.05 -0.73 7.33 0.00 -1.26 -4.20 121.76 122.54 1i16 s ALA 16 Ca 0.17 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 1i16 s ALA 16 Cb -0.02 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1i16 s ALA 16 CO 0.85 -1.92 0.66 0.00 0.00 0.00 0.00 175.76 175.36 1i16 n ALA 17 N -3.60 -2.62 -2.02 0.00 0.00 -1.26 -4.93 120.51 106.06 1i16 n ALA 17 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1i16 n ALA 17 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1i16 n ALA 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 18 N -1.87 0.03 -4.50 0.00 7.64 -1.26 -5.10 113.62 108.56 1i16 n SER 18 Ca -0.09 -1.79 -0.24 0.00 1.01 0.00 0.00 58.87 57.75 1i16 n SER 18 Cb 0.56 -0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1i16 n SER 18 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1i16 s ASP 19 N -0.84 3.39 -0.15 6.43 1.01 -1.26 -5.13 116.67 120.12 1i16 s ASP 19 Ca 0.02 -1.18 -0.01 0.00 0.71 0.00 0.00 52.55 52.09 1i16 s ASP 19 Cb 0.02 -0.28 -0.01 0.00 1.01 0.00 0.00 42.92 43.65 1i16 s ASP 19 CO -0.01 -0.22 -0.10 0.68 0.21 0.00 0.00 175.17 175.73 1i16 s VAL 20 N -2.73 3.18 -0.46 -1.27 -7.23 -1.26 -5.02 120.40 105.61 1i16 s VAL 20 Ca 0.31 -0.60 0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1i16 s VAL 20 Cb 0.02 -2.37 0.28 0.00 0.56 0.00 0.00 36.38 34.87 1i16 s VAL 20 CO 0.15 0.50 0.91 -1.20 -0.31 0.00 0.00 175.10 175.15 1i16 n SER 21 N 3.81 -2.08 -2.08 4.85 7.64 -1.26 -5.09 113.62 119.41 1i16 n SER 21 Ca -0.18 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1i16 n SER 21 Cb 0.52 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 65.12 1i16 n SER 21 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1i16 n VAL 22 N 1.09-13.37 0.00 0.44 0.31 -1.26 -5.04 118.33 100.49 1i16 n VAL 22 Ca 0.11 3.33 0.00 0.00 -0.01 0.00 0.00 64.34 67.77 1i16 n VAL 22 Cb 0.64 -5.58 0.00 0.00 -0.91 0.00 0.00 33.84 27.99 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1i16 n GLU 23 N 1.85 0.00 -1.29 5.55 0.28 -1.26 -5.14 120.64 120.63 1i16 n GLU 23 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.18 1i16 n GLU 23 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1i16 n SER 24 N 0.00 -7.94 0.00 -1.84 7.64 -1.26 -5.01 113.62 105.20 1i16 n SER 24 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1i16 n SER 24 Cb 0.00 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1i16 n SER 24 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i16 n THR 25 N -3.94 0.00 -4.08 0.44 -1.04 -1.26 -5.15 114.28 99.25 1i16 n THR 25 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 1i16 n THR 25 Cb 0.59 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.00 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 s ALA 26 N -1.38 0.56 -0.37 2.41 0.00 -1.26 -5.02 121.76 116.71 1i16 s ALA 26 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.76 1i16 s ALA 26 Cb 0.00 0.63 0.45 0.00 0.00 0.00 0.00 23.12 24.20 1i16 s ALA 26 CO 0.00 -0.47 1.48 0.39 0.00 0.00 0.00 175.76 177.16 1i16 n GLU 27 N -0.03 2.37 -3.61 0.00 1.02 -1.26 -4.77 120.64 114.36 1i16 n GLU 27 Ca -0.09 -1.92 -0.03 0.00 -0.02 0.00 0.00 57.16 55.10 1i16 n GLU 27 Cb 0.63 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 s ALA 28 N -2.08 -2.14 -0.04 0.62 0.00 -1.26 -3.47 121.76 113.38 1i16 s ALA 28 Ca 0.35 2.30 -0.04 0.00 0.00 0.00 0.00 51.96 54.57 1i16 s ALA 28 Cb 0.29 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1i16 s ALA 28 CO 0.08 -0.64 0.11 0.95 0.00 0.00 0.00 175.76 176.26 1i16 s THR 29 N 2.10 0.00 0.06 0.00 -4.23 -1.21 -4.94 115.64 107.42 1i16 s THR 29 Ca -0.07 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1i16 s THR 29 Cb -0.07 -0.17 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 1i16 s THR 29 CO -0.18 -0.02 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.05 1i16 s VAL 30 N 0.00 3.07 -0.38 2.29 1.01 -1.26 -0.51 120.40 124.62 1i16 s VAL 30 Ca -0.01 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1i16 s VAL 30 Cb -0.01 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.18 1i16 s VAL 30 CO 0.00 0.27 0.31 0.00 0.00 0.00 0.00 175.10 175.69 1i16 s THR 32 N 1.00 3.83 0.11 0.00 2.01 -1.26 -3.42 115.64 117.91 1i16 s THR 32 Ca 0.21 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 1i16 s THR 32 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1i16 s THR 32 CO -0.04 0.07 0.17 0.68 -0.69 0.00 0.00 174.62 174.81 1i16 s VAL 33 N 1.47 0.12 -0.14 3.82 -7.23 -0.34 -4.97 120.40 113.14 1i16 s VAL 33 Ca 0.61 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1i16 s VAL 33 Cb -0.31 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1i16 s VAL 33 CO 0.28 -0.56 -0.15 0.42 -0.31 0.00 0.00 175.10 174.78 1i16 s THR 34 N -3.93 2.83 -0.90 5.32 -4.23 -1.26 0.23 115.64 113.70 1i16 s THR 34 Ca 0.12 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1i16 s THR 34 Cb 0.05 -2.18 0.32 0.00 1.34 0.00 0.00 72.50 72.03 1i16 s THR 34 CO -0.06 0.52 1.53 0.18 -0.54 0.00 0.00 174.62 176.26 1i16 n LEU 35 N 3.72 6.40 0.00 4.79 7.99 0.44 -4.17 117.00 136.17 1i16 n LEU 35 Ca -0.18 -5.47 0.00 0.00 -0.01 0.00 0.00 56.01 50.35 1i16 n LEU 35 Cb 0.52 -0.99 0.00 0.00 -0.11 0.00 0.00 43.42 42.84 1i16 n LEU 35 CO 0.30 2.12 0.00 -0.62 -1.51 0.00 0.00 177.39 177.67 1i16 n GLU 36 N -0.00 0.00 -2.51 3.23 1.02 -1.26 -4.28 120.64 116.83 1i16 n GLU 36 Ca 0.41 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.12 1i16 n GLU 36 Cb 0.31 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.70 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1i16 s LYS 37 N 0.00 4.31 0.00 3.49 1.02 0.50 -4.72 119.74 124.34 1i16 s LYS 37 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.57 1i16 s LYS 37 Cb 0.00 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1i16 s LYS 37 CO 0.00 -0.55 0.00 -0.12 -0.92 0.00 0.00 175.35 173.76 1i16 n MET 38 N 5.84 0.00 -3.51 1.68 1.56 -1.26 -2.95 117.12 118.48 1i16 n MET 38 Ca 0.12 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.43 1i16 n MET 38 Cb 0.46 -0.31 -0.04 0.00 2.15 0.00 0.00 33.22 35.48 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1i16 s SER 39 N -2.71 -0.47 0.00 6.12 0.15 -1.26 -4.91 113.70 110.61 1i16 s SER 39 Ca 0.00 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1i16 s SER 39 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1i16 s SER 39 CO 0.00 -0.61 0.00 0.00 1.20 0.00 0.00 173.24 173.83 1i16 n ALA 40 N 0.26 0.00 -2.99 5.45 0.00 -1.26 -3.94 120.51 118.02 1i16 n ALA 40 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1i16 n ALA 40 Cb 0.60 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.53 -1.86 2.21 0.00 0.00 -1.26 -1.77 105.19 101.98 1i16 n GLY 41 Ca 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 0.52 0.01 -0.80 0.99 4.77 -1.26 -1.75 117.00 119.48 1i16 n LEU 42 Ca 0.01 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1i16 n LEU 42 Cb 0.33 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 1i16 n LEU 42 CO 0.35 -0.50 -0.06 0.61 -1.33 0.00 0.00 177.39 176.46 1i16 n GLY 43 N 0.22 0.60 3.00 -0.72 0.00 -0.73 -4.60 105.19 102.97 1i16 n GLY 43 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.34 0.04 -0.02 1.61 -0.12 -0.72 0.29 117.98 117.72 1i16 s PHE 44 Ca 0.00 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 56.87 1i16 s PHE 44 Cb 0.00 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 1i16 s PHE 44 CO 0.00 -0.14 -0.21 0.45 -0.05 0.00 0.00 175.22 175.26 1i16 s SER 45 N -0.72 3.45 0.13 1.98 0.15 -0.93 -4.94 113.70 112.82 1i16 s SER 45 Ca -0.08 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.03 1i16 s SER 45 Cb -0.05 -0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 63.66 1i16 s SER 45 CO 0.00 0.32 0.55 -0.76 1.20 0.00 0.00 173.24 174.55 1i16 s LEU 46 N -0.78 4.38 0.13 3.45 1.02 -1.26 -2.22 118.68 123.40 1i16 s LEU 46 Ca 0.11 1.12 0.05 0.00 0.02 0.00 0.00 54.13 55.43 1i16 s LEU 46 Cb -0.10 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.87 1i16 s LEU 46 CO 0.00 0.14 -0.13 -1.61 0.02 0.00 0.00 176.35 174.77 1i16 s GLU 47 N -1.78 1.03 0.00 1.70 8.01 0.72 -4.83 118.70 123.55 1i16 s GLU 47 Ca 0.36 -1.31 0.00 0.00 0.01 0.00 0.00 54.97 54.03 1i16 s GLU 47 Cb -0.16 -0.80 0.00 0.00 -4.31 0.00 0.00 34.13 28.86 1i16 s GLU 47 CO 0.19 0.14 0.00 0.41 0.01 0.00 0.00 175.26 176.01 1i16 n GLY 48 N 0.28 -0.16 0.00 -1.39 0.00 -1.26 0.28 105.19 102.94 1i16 n GLY 48 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 3.38 3.14 -0.02 0.00 -1.26 -4.98 105.19 105.45 1i16 n GLY 49 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 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 0.39 -0.21 -3.09 1.61 2.85 -1.26 -3.85 118.16 114.60 1i16 n LYS 50 Ca 0.00 -0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 1i16 n LYS 50 Cb 0.00 -1.29 0.01 0.00 -0.65 0.00 0.00 35.03 33.10 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 2.84 -1.16 0.12 2.58 0.00 -1.26 -4.89 105.19 103.42 1i16 n GLY 51 Ca 0.01 0.84 -0.21 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.18 1.93 0.08 1.61 7.64 -1.13 -4.91 113.62 117.65 1i16 n SER 52 Ca 0.01 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1i16 n SER 52 Cb 0.52 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -4.36 -0.90 -0.00 -3.43 7.94 -1.26 -4.93 117.00 110.04 1i16 n LEU 53 Ca -0.36 0.29 0.07 0.00 -1.11 0.00 0.00 56.01 54.89 1i16 n LEU 53 Cb 0.71 1.03 -0.10 0.00 0.53 0.00 0.00 43.42 45.59 1i16 n LEU 53 CO 0.11 -0.40 -0.52 0.00 -1.11 0.00 0.00 177.39 175.47 1i16 n HIS 54 N -2.89 0.00 0.00 1.96 1.44 -1.26 -5.00 115.22 109.47 1i16 n HIS 54 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1i16 n HIS 54 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i16 n GLY 55 N 1.62 0.20 3.58 -1.39 0.00 -1.26 -5.08 105.19 102.86 1i16 n GLY 55 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.30 -0.69 1.61 -1.08 -1.26 -4.88 116.67 110.07 1i16 s ASP 56 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1i16 s ASP 56 Cb 0.00 0.26 0.17 0.00 -1.46 0.00 0.00 42.92 41.90 1i16 s ASP 56 CO 0.00 -0.33 0.50 -1.59 0.52 0.00 0.00 175.17 174.27 1i16 s LYS 57 N -1.55 2.62 -1.52 4.34 0.00 -1.26 -2.85 119.74 119.52 1i16 s LYS 57 Ca 0.02 -2.91 -0.12 0.00 0.00 0.00 0.00 55.97 52.96 1i16 s LYS 57 Cb -0.01 -3.65 -0.01 0.00 0.00 0.00 0.00 37.83 34.17 1i16 s LYS 57 CO -0.02 -1.21 2.53 -0.35 0.00 0.00 0.00 175.35 176.31 1i16 n PRO 58 N 2.81 3.32 -1.58 1.78 -0.04 -1.26 -4.40 135.00 135.62 1i16 n PRO 58 Ca 0.13 -2.51 -0.59 0.00 -0.04 0.00 0.00 63.50 60.49 1i16 n PRO 58 Cb 0.36 -3.04 -0.08 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.76 0.66 -4.24 1.53 4.32 -1.26 -4.77 117.00 118.01 1i16 n LEU 59 Ca 0.63 1.15 -0.16 0.00 -0.02 0.00 0.00 56.01 57.61 1i16 n LEU 59 Cb 0.32 -0.97 -0.11 0.00 -1.62 0.00 0.00 43.42 41.04 1i16 n LEU 59 CO 0.87 -1.47 -0.43 0.42 -1.22 0.00 0.00 177.39 175.56 1i16 s THR 60 N 0.87 1.24 -0.14 -5.08 -4.23 0.79 -3.22 115.64 105.87 1i16 s THR 60 Ca 0.93 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1i16 s THR 60 Cb -1.25 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1i16 s THR 60 CO 0.61 -0.55 1.19 -0.63 -0.54 0.00 0.00 174.62 174.70 1i16 s ILE 61 N -2.58 4.37 -0.19 2.99 1.01 -1.16 0.26 121.20 125.90 1i16 s ILE 61 Ca 0.11 1.67 -0.08 0.00 0.00 0.00 0.00 60.65 62.35 1i16 s ILE 61 Cb -0.02 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1i16 s ILE 61 CO 0.02 -0.09 -0.24 0.59 0.00 0.00 0.00 174.94 175.22 1i16 n ASN 62 N 6.03 1.50 -4.16 3.58 4.13 -0.94 0.06 115.26 125.46 1i16 n ASN 62 Ca 0.12 0.19 -0.37 0.00 1.68 0.00 0.00 54.58 56.21 1i16 n ASN 62 Cb 0.46 -0.53 -0.12 0.00 -1.54 0.00 0.00 39.78 38.05 1i16 n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i16 s ARG 63 N -2.35 2.23 -0.02 3.52 1.70 -1.25 -4.88 118.95 117.90 1i16 s ARG 63 Ca -0.26 -1.59 -0.02 0.00 -0.47 0.00 0.00 55.73 53.38 1i16 s ARG 63 Cb 0.10 -3.50 -0.04 0.00 -0.57 0.00 0.00 34.95 30.93 1i16 s ARG 63 CO 0.35 -0.92 0.13 0.42 -1.08 0.00 0.00 175.30 174.20 1i16 s ILE 64 N 1.23 5.10 0.00 4.99 1.01 -1.26 -2.20 121.20 130.06 1i16 s ILE 64 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1i16 s ILE 64 Cb -0.22 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1i16 s ILE 64 CO -0.02 0.37 0.00 0.49 0.00 0.00 0.00 174.94 175.78 1i16 n PHE 65 N 1.17 0.00 -2.14 3.97 3.72 0.83 -4.96 117.46 120.05 1i16 n PHE 65 Ca -0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 1i16 n PHE 65 Cb 0.53 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 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 -2.37 -2.19 0.00 -1.08 0.00 -1.04 -5.00 118.16 106.47 1i16 n LYS 66 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 58.31 60.24 1i16 n LYS 66 Cb 0.49 -3.35 0.00 0.00 0.00 0.00 0.00 35.03 32.18 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i16 n GLY 67 N 0.62 -0.34 3.65 3.14 0.00 -1.26 -5.01 105.19 105.99 1i16 n GLY 67 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 -2.60 0.19 4.61 0.00 -1.26 -4.90 121.76 117.63 1i16 s ALA 68 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 51.96 53.90 1i16 s ALA 68 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1i16 s ALA 68 CO 0.00 -0.28 0.22 0.00 0.00 0.00 0.00 175.76 175.70 1i16 n ALA 69 N 2.82 0.08 -1.33 0.00 0.00 -1.26 -4.60 120.51 116.22 1i16 n ALA 69 Ca -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1i16 n ALA 69 Cb 0.56 0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.81 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 -2.05 0.00 -2.71 0.00 7.64 -1.26 -4.76 113.62 110.49 1i16 n SER 70 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 1i16 n SER 70 Cb 0.33 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 2.65 -3.63 1.43 4.71 -1.26 -4.89 120.64 119.64 1i16 n GLU 71 Ca 0.00 -3.22 -0.11 0.00 -0.01 0.00 0.00 57.16 53.82 1i16 n GLU 71 Cb 0.00 -2.23 -0.07 0.00 -1.01 0.00 0.00 31.44 28.13 1i16 n GLU 71 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1i16 s GLN 72 N -3.58 0.70 -1.27 3.49 -2.07 -1.26 -5.07 119.66 110.60 1i16 s GLN 72 Ca 0.55 0.91 -0.15 0.00 -1.82 0.00 0.00 55.36 54.85 1i16 s GLN 72 Cb 0.44 0.30 0.12 0.00 -1.09 0.00 0.00 33.01 32.78 1i16 s GLN 72 CO -0.30 -0.10 1.65 0.43 -1.32 0.00 0.00 175.29 175.65 1i16 n SER 73 N 2.91 5.01 0.00 12.60 7.64 -1.26 -4.21 113.62 136.31 1i16 n SER 73 Ca -0.15 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1i16 n SER 73 Cb 0.56 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1i16 n SER 73 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1i16 n GLU 74 N 6.66 0.00 -1.14 1.43 0.28 -1.26 -5.02 120.64 121.59 1i16 n GLU 74 Ca 0.43 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.24 1i16 n GLU 74 Cb 0.43 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.47 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1i16 n THR 75 N 0.00 3.02 -3.60 3.84 -2.24 -1.26 -4.93 114.28 109.11 1i16 n THR 75 Ca 0.00 -2.39 -0.16 0.00 -2.27 0.00 0.00 64.05 59.23 1i16 n THR 75 Cb 0.00 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 67.64 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 -3.50 0.01 -0.03 2.28 -7.23 -1.26 -4.86 120.40 105.82 1i16 s VAL 76 Ca 0.54 -0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.54 1i16 s VAL 76 Cb 0.46 -0.89 0.01 0.00 0.56 0.00 0.00 36.38 36.52 1i16 s VAL 76 CO 0.06 -0.06 0.14 0.00 -0.31 0.00 0.00 175.10 174.93 1i16 s GLN 77 N -0.92 0.32 -0.27 4.82 0.00 -1.26 -5.11 119.66 117.24 1i16 s GLN 77 Ca -0.09 -0.08 -0.29 0.00 -0.00 0.00 0.00 55.36 54.89 1i16 s GLN 77 Cb -0.02 0.14 0.01 0.00 0.00 0.00 0.00 33.01 33.14 1i16 s GLN 77 CO 0.07 -0.06 1.11 -1.25 0.00 0.00 0.00 175.29 175.16 1i16 s PRO 78 N -0.61 4.13 -0.00 9.60 0.04 -1.26 -3.43 135.00 143.46 1i16 s PRO 78 Ca -0.07 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1i16 s PRO 78 Cb -0.04 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1i16 s PRO 78 CO 0.01 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1i16 n GLY 79 N 3.72 0.49 3.67 0.56 0.00 0.11 -4.95 105.19 108.78 1i16 n GLY 79 Ca 0.13 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1i16 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 80 N 0.01 3.08 -2.81 1.61 5.68 -1.22 -4.62 116.55 118.27 1i16 n ASP 80 Ca -0.00 1.10 -0.29 0.00 -0.50 0.00 0.00 54.79 55.10 1i16 n ASP 80 Cb 0.01 -1.44 -0.08 0.00 -1.14 0.00 0.00 41.12 38.47 1i16 n ASP 80 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1i16 n GLU 81 N 3.05 3.07 -1.58 0.11 2.13 -1.26 -2.99 120.64 123.16 1i16 n GLU 81 Ca 0.15 -1.76 -0.49 0.00 0.66 0.00 0.00 57.16 55.71 1i16 n GLU 81 Cb 0.30 -2.49 -0.06 0.00 0.27 0.00 0.00 31.44 29.46 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 3.13 0.37 -0.02 6.31 5.41 -1.20 -4.24 119.36 129.13 1i16 n ILE 82 Ca 0.65 -0.21 -0.16 0.00 1.00 0.00 0.00 62.75 64.03 1i16 n ILE 82 Cb 0.49 -1.82 -0.13 0.00 -0.71 0.00 0.00 39.64 37.47 1i16 n ILE 82 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1i16 h LEU 83 N 11.04 0.23-10.24 1.39 -0.00 -1.79 -3.42 115.31 112.52 1i16 h LEU 83 Ca -0.39 -0.91 -0.61 0.00 -0.00 0.00 0.00 57.88 55.97 1i16 h LEU 83 Cb 1.29 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 1i16 h LEU 83 CO 0.98 1.13 -0.37 -1.58 -0.00 0.00 0.00 178.44 178.59 1i16 s GLN 84 N -2.58 2.24 -0.38 0.17 -0.44 -1.26 0.18 119.66 117.59 1i16 s GLN 84 Ca -0.16 -2.10 0.07 0.00 -2.50 0.00 0.00 55.36 50.67 1i16 s GLN 84 Cb -0.00 -1.95 0.18 0.00 -1.64 0.00 0.00 33.01 29.60 1i16 s GLN 84 CO 0.76 -0.51 0.60 -1.17 0.50 0.00 0.00 175.29 175.46 1i16 s LEU 85 N -4.15 -1.44 0.00 3.68 2.96 0.87 -4.14 118.68 116.46 1i16 s LEU 85 Ca 0.27 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1i16 s LEU 85 Cb -0.01 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.55 1i16 s LEU 85 CO 0.17 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1i16 n GLY 86 N 4.66 -0.06 2.63 7.98 0.00 0.17 -2.41 105.19 118.15 1i16 n GLY 86 Ca 0.09 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 1.66 3.41 -0.02 0.00 -1.26 -4.59 105.19 104.38 1i16 n GLY 87 Ca 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.93 0.02 -0.27 2.61 -1.32 -1.01 -4.52 115.64 108.22 1i16 s THR 88 Ca 0.28 -0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.60 1i16 s THR 88 Cb 0.45 -0.85 0.07 0.00 -1.51 0.00 0.00 72.50 70.66 1i16 s THR 88 CO 0.03 -0.10 -0.02 0.00 -2.21 0.00 0.00 174.62 172.32 1i16 s ALA 89 N -1.17 2.16 0.03 11.08 0.00 -1.26 -0.09 121.76 132.50 1i16 s ALA 89 Ca -0.11 -1.66 -0.09 0.00 0.00 0.00 0.00 51.96 50.09 1i16 s ALA 89 Cb -0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1i16 s ALA 89 CO 0.07 -1.34 1.14 0.52 0.00 0.00 0.00 175.76 176.16 1i16 h MET 90 N 7.88 -0.15 -0.93 0.00 2.86 0.15 -1.18 114.93 123.57 1i16 h MET 90 Ca -0.15 0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.77 1i16 h MET 90 Cb 1.05 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1i16 h MET 90 CO 0.44 -0.10 0.81 1.96 1.06 0.00 0.00 176.91 181.09 1i16 h GLN 91 N -0.15 0.00 -1.36 1.72 7.50 -1.77 0.21 115.11 121.25 1i16 h GLN 91 Ca 0.01 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.50 1i16 h GLN 91 Cb 0.18 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 27.36 1i16 h GLN 91 CO -0.11 0.00 0.18 0.41 -1.50 0.00 0.00 178.83 177.80 1i16 n GLY 92 N -1.67 5.92 3.69 3.46 0.00 -0.47 -4.97 105.19 111.14 1i16 n GLY 92 Ca 0.20 -2.55 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.78 -0.13 0.43 0.99 1.43 0.72 -4.79 118.68 113.56 1i16 s LEU 93 Ca 0.54 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1i16 s LEU 93 Cb 0.44 1.81 -0.03 0.00 0.03 0.00 0.00 46.19 48.44 1i16 s LEU 93 CO -0.16 -0.62 0.69 0.42 0.23 0.00 0.00 176.35 176.90 1i16 s THR 94 N -2.89 4.80 0.00 5.49 -4.23 -1.26 -4.83 115.64 112.72 1i16 s THR 94 Ca 0.13 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1i16 s THR 94 Cb 0.01 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 1i16 s THR 94 CO -0.01 -0.65 1.02 -0.09 -0.54 0.00 0.00 174.62 174.35 1i16 h ARG 95 N 0.42 -0.04 -0.19 3.99 2.43 -1.93 0.87 114.38 119.93 1i16 h ARG 95 Ca -0.48 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1i16 h ARG 95 Cb 1.22 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 1i16 h ARG 95 CO 0.61 -0.02 -0.10 0.35 -1.51 0.00 0.00 179.97 179.29 1i16 h PHE 96 N -0.04 -0.25 -0.69 2.20 3.57 -1.95 -1.08 116.94 118.71 1i16 h PHE 96 Ca -0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1i16 h PHE 96 Cb 0.04 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 1i16 h PHE 96 CO -0.23 -0.16 0.21 0.93 -2.23 0.00 0.00 178.31 176.83 1i16 h GLU 97 N -0.09 0.33 0.10 1.11 4.39 -1.91 -1.11 114.58 117.40 1i16 h GLU 97 Ca 0.11 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1i16 h GLU 97 Cb 0.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1i16 h GLU 97 CO -0.24 0.22 -0.12 0.00 -1.16 0.00 0.00 179.01 177.71 1i16 h ALA 98 N 1.53 -0.81 0.00 3.43 0.00 0.20 -1.04 119.26 122.57 1i16 h ALA 98 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i16 h ALA 98 Cb 0.57 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i16 h ALA 98 CO -0.42 -0.82 0.24 2.35 0.00 0.00 0.00 179.25 180.60 1i16 h TRP 99 N -0.22 0.00 0.03 0.00 -0.00 -1.11 -2.17 115.95 112.47 1i16 h TRP 99 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.80 1i16 h TRP 99 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.35 1i16 h TRP 99 CO -0.14 0.00 -0.39 -0.91 -0.00 0.00 0.00 178.44 176.99 1i16 h ASN 100 N 0.00 0.10 -0.98 2.65 2.35 0.05 -3.18 115.58 116.57 1i16 h ASN 100 Ca 0.00 -0.91 0.15 0.00 -0.55 0.00 0.00 56.30 54.99 1i16 h ASN 100 Cb 0.49 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 1i16 h ASN 100 CO 0.00 1.17 0.61 0.40 -1.65 0.00 0.00 177.43 177.96 1i16 h ILE 101 N -0.86 0.82 0.46 2.81 5.03 -0.67 -2.03 117.51 123.07 1i16 h ILE 101 Ca -0.09 -0.28 -0.02 0.00 -0.12 0.00 0.00 64.86 64.34 1i16 h ILE 101 Cb 1.19 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1i16 h ILE 101 CO -0.00 0.15 -0.22 0.40 -0.68 0.00 0.00 178.15 177.80 1i16 h ILE 102 N 0.82 0.00 -1.60 -0.67 5.03 -1.66 -2.52 117.51 116.91 1i16 h ILE 102 Ca 0.51 -0.07 0.47 0.00 -0.12 0.00 0.00 64.86 65.65 1i16 h ILE 102 Cb 0.71 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.43 1i16 h ILE 102 CO -0.29 0.00 1.15 0.11 -0.68 0.00 0.00 178.15 178.44 1i16 h LYS 103 N -0.68 0.01 0.00 2.37 1.79 -1.46 2.05 116.57 120.65 1i16 h LYS 103 Ca -0.06 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1i16 h LYS 103 Cb 0.47 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1i16 h LYS 103 CO 0.10 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.48 1i16 n ALA 104 N -2.83 2.06 -0.97 3.86 0.00 -0.79 -4.84 120.51 117.00 1i16 n ALA 104 Ca 0.36 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1i16 n ALA 104 Cb 1.65 -1.44 0.23 0.00 0.00 0.00 0.00 19.45 19.89 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i16 s LEU 105 N -4.59 0.67 0.00 0.00 2.01 0.69 -5.05 118.68 112.41 1i16 s LEU 105 Ca 0.08 0.86 -0.12 0.00 0.01 0.00 0.00 54.13 54.96 1i16 s LEU 105 Cb 0.11 -2.67 0.19 0.00 0.01 0.00 0.00 46.19 43.84 1i16 s LEU 105 CO 0.53 -4.07 1.18 -0.81 1.01 0.00 0.00 176.35 174.18 1i16 n PRO 106 N -4.76 -0.95 -3.01 1.29 -0.04 -1.26 -4.99 135.00 121.28 1i16 n PRO 106 Ca 0.10 -2.07 -0.44 0.00 -0.04 0.00 0.00 63.50 61.05 1i16 n PRO 106 Cb 0.59 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 1i16 n PRO 106 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i16 s ASP 107 N -5.39 6.81 0.00 3.54 1.11 -1.26 -4.73 116.67 116.75 1i16 s ASP 107 Ca 0.69 -2.48 0.00 0.00 0.18 0.00 0.00 52.55 50.94 1i16 s ASP 107 Cb -0.02 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1i16 s ASP 107 CO 0.48 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.57 1i16 n GLY 108 N 4.75 4.75 3.55 0.21 0.00 -1.15 -4.78 105.19 112.51 1i16 n GLY 108 Ca 0.26 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 1.67 3.17 -0.44 1.61 0.04 -1.26 0.19 135.00 139.97 1i16 s PRO 109 Ca 0.00 -0.17 -0.24 0.00 0.04 0.00 0.00 61.00 60.63 1i16 s PRO 109 Cb 0.00 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.38 1i16 s PRO 109 CO 0.00 -2.17 0.82 0.54 0.04 0.00 0.00 177.00 176.23 1i16 s VAL 110 N 5.92 4.62 -0.10 -0.36 0.11 -1.26 -4.86 120.40 124.47 1i16 s VAL 110 Ca 0.37 0.56 -0.22 0.00 -2.93 0.00 0.00 61.98 59.77 1i16 s VAL 110 Cb -0.08 -4.33 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 1i16 s VAL 110 CO 0.16 -0.70 0.64 -0.89 -3.33 0.00 0.00 175.10 170.97 1i16 s THR 111 N 3.37 5.08 0.18 5.04 2.01 -1.26 0.17 115.64 130.22 1i16 s THR 111 Ca 0.32 1.30 0.09 0.00 0.31 0.00 0.00 61.69 63.70 1i16 s THR 111 Cb -0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1i16 s THR 111 CO 0.23 0.25 -0.11 0.27 -0.69 0.00 0.00 174.62 174.57 1i16 s ILE 112 N 0.91 3.11 -0.39 1.82 -4.36 0.62 0.41 121.20 123.31 1i16 s ILE 112 Ca 0.34 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1i16 s ILE 112 Cb -0.17 -2.54 0.12 0.00 1.25 0.00 0.00 42.46 41.13 1i16 s ILE 112 CO 0.15 -0.11 0.18 -0.69 0.24 0.00 0.00 174.94 174.70 1i16 s VAL 113 N -1.71 1.29 -0.15 8.37 1.01 -1.26 -1.20 120.40 126.76 1i16 s VAL 113 Ca 0.24 -2.15 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 1i16 s VAL 113 Cb -0.09 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1i16 s VAL 113 CO 0.15 -0.80 0.26 0.27 0.00 0.00 0.00 175.10 174.98 1i16 s ILE 114 N 0.82 5.32 -0.19 2.22 -5.25 -1.22 -2.75 121.20 120.15 1i16 s ILE 114 Ca 0.14 0.48 -0.03 0.00 -0.99 0.00 0.00 60.65 60.25 1i16 s ILE 114 Cb -0.22 -3.59 0.06 0.00 2.95 0.00 0.00 42.46 41.67 1i16 s ILE 114 CO -0.09 0.44 0.04 -0.60 -1.79 0.00 0.00 174.94 172.95 1i16 s ARG 115 N 0.13 0.57 -1.25 0.37 3.52 -1.26 -0.53 118.95 120.51 1i16 s ARG 115 Ca 0.16 -0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1i16 s ARG 115 Cb -0.13 -2.07 0.19 0.00 -1.56 0.00 0.00 34.95 31.38 1i16 s ARG 115 CO 0.04 -0.65 1.88 -2.13 -0.81 0.00 0.00 175.30 173.63 1i16 n ARG 116 N 5.08 3.93 -2.03 5.12 0.63 0.33 -4.23 116.66 125.49 1i16 n ARG 116 Ca -0.09 -3.71 -0.41 0.00 -0.92 0.00 0.00 57.85 52.73 1i16 n ARG 116 Cb 0.47 -2.81 -0.00 0.00 0.45 0.00 0.00 32.46 30.57 1i16 n ARG 116 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1i16 n LYS 117 N 3.07 4.33 0.00 -0.14 3.00 -1.26 -3.30 118.16 123.85 1i16 n LYS 117 Ca 0.41 -3.40 0.00 0.00 -0.00 0.00 0.00 58.31 55.31 1i16 n LYS 117 Cb 0.34 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.66 1i16 n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1i16 n SER 118 N 2.31 0.00 -4.75 3.14 2.88 -1.23 -4.95 113.62 111.02 1i16 n SER 118 Ca 0.58 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.71 1i16 n SER 118 Cb 0.27 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 1i16 n SER 118 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1i16 s LEU 119 N 0.00 4.36 0.00 2.46 2.01 -1.26 -4.88 118.68 121.36 1i16 s LEU 119 Ca 0.00 2.85 0.00 0.00 0.01 0.00 0.00 54.13 56.99 1i16 s LEU 119 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.56 1i16 s LEU 119 CO 0.00 -0.81 0.00 1.67 1.01 0.00 0.00 176.35 178.22 1i16 n GLN 120 N 1.88 3.27 -2.30 1.70 7.27 -1.26 -5.11 117.38 122.82 1i16 n GLN 120 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.13 1i16 n GLN 120 Cb 0.39 -0.95 -0.00 0.00 2.41 0.00 0.00 30.24 32.09 1i16 n GLN 120 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1i16 n SER 121 N -1.90 -7.24 -4.75 1.69 3.41 -1.26 -4.86 113.62 98.72 1i16 n SER 121 Ca 0.00 1.67 -0.41 0.00 -0.26 0.00 0.00 58.87 59.88 1i16 n SER 121 Cb 0.45 -4.41 -0.04 0.00 -0.26 0.00 0.00 64.21 59.95 1i16 n SER 121 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1i16 s LYS 122 N -0.47 4.63 0.00 4.33 2.20 -1.26 -5.03 119.74 124.15 1i16 s LYS 122 Ca -0.01 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1i16 s LYS 122 Cb 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1i16 s LYS 122 CO 0.03 0.16 0.00 0.39 -0.36 0.00 0.00 175.35 175.57 1i16 n GLU 123 N 1.89 3.36 -4.19 4.03 1.02 -1.26 -5.15 120.64 120.34 1i16 n GLU 123 Ca 0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1i16 n GLU 123 Cb 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.71 1i16 n GLU 123 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1i16 s THR 124 N 1.79 0.59 -0.25 2.62 2.01 -1.26 -5.12 115.64 116.02 1i16 s THR 124 Ca 0.00 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 1i16 s THR 124 Cb 0.00 -0.61 0.14 0.00 0.01 0.00 0.00 72.50 72.05 1i16 s THR 124 CO 0.00 0.24 1.12 0.28 -0.69 0.00 0.00 174.62 175.57 1i16 s THR 125 N 0.93 0.00 0.00 -0.82 -1.32 -1.26 -4.93 115.64 108.24 1i16 s THR 125 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1i16 s THR 125 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1i16 s THR 125 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1i16 n ALA 126 N 1.55 0.00 -0.25 11.08 0.00 -1.26 -4.91 120.51 126.72 1i16 n ALA 126 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1i16 n ALA 126 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 127 N 0.12 -0.07 0.00 0.00 0.00 -1.26 -4.79 120.51 114.50 1i16 n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 127 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.04 1.97 2.12 0.00 0.00 -1.26 -4.57 105.19 103.41 1i16 n GLY 128 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1i16 n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 129 N 4.06 6.32 -0.53 1.61 9.92 -1.26 -5.24 116.55 131.42 1i16 n ASP 129 Ca 0.00 -3.46 0.14 0.00 -0.53 0.00 0.00 54.79 50.94 1i16 n ASP 129 Cb 0.00 -0.95 0.48 0.00 -0.64 0.00 0.00 41.12 40.01 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79