#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 n PRO 2 N 0.00 0.15 0.23 0.03 -0.04 -1.26 -1.12 135.00 133.00 1i16 n PRO 2 Ca 0.00 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1i16 n PRO 2 Cb 0.00 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.50 1i16 n PRO 2 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1i16 h ASP 3 N 0.00 0.00 0.00 3.54 3.32 -2.08 -3.37 116.42 117.83 1i16 h ASP 3 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i16 h ASP 3 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1i16 h ASP 3 CO 0.00 0.21 -0.43 0.18 -1.72 0.00 0.00 179.24 177.48 1i16 n LEU 4 N -3.49 1.06 0.00 1.55 7.99 -1.20 -5.12 117.00 117.78 1i16 n LEU 4 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1i16 n LEU 4 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1i16 n LEU 4 CO 0.33 0.12 0.00 -0.46 -1.51 0.00 0.00 177.39 175.87 1i16 n ASN 5 N -2.07 -0.38 0.00 -1.43 0.23 -0.27 -4.50 115.26 106.83 1i16 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1i16 n ASN 5 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1i16 n SER 6 N -3.91 0.00 -3.68 0.53 7.64 -1.26 -4.74 113.62 108.20 1i16 n SER 6 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1i16 n SER 6 Cb 0.00 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.42 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i16 n SER 7 N 2.41 -3.21 -0.49 6.43 7.64 -1.26 -5.04 113.62 120.09 1i16 n SER 7 Ca 0.00 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1i16 n SER 7 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1i16 n SER 7 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i16 n THR 8 N -5.06 0.00 -1.48 0.44 -1.04 -1.26 -4.97 114.28 100.92 1i16 n THR 8 Ca 0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.72 1i16 n THR 8 Cb 0.51 -0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.70 1i16 n THR 8 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1i16 n ASP 9 N -0.37 2.56 -4.05 8.00 2.03 -1.26 -4.84 116.55 118.62 1i16 n ASP 9 Ca 0.00 -2.66 -0.31 0.00 0.52 0.00 0.00 54.79 52.34 1i16 n ASP 9 Cb 0.00 -1.34 -0.16 0.00 -0.72 0.00 0.00 41.12 38.90 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1i16 s SER 10 N 5.92 2.78 -0.30 1.67 1.04 -1.26 -5.08 113.70 118.47 1i16 s SER 10 Ca 0.64 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 1i16 s SER 10 Cb 0.08 -1.25 0.19 0.00 0.10 0.00 0.00 66.02 65.14 1i16 s SER 10 CO 0.15 -0.03 1.19 0.00 0.98 0.00 0.00 173.24 175.52 1i16 s ALA 11 N 1.38 -2.91 0.23 5.32 0.00 -1.26 -5.09 121.76 119.43 1i16 s ALA 11 Ca 0.04 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1i16 s ALA 11 Cb -0.13 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1i16 s ALA 11 CO -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 174.92 1i16 n ALA 12 N 4.17 0.50 -1.25 0.00 0.00 -1.26 -5.12 120.51 117.55 1i16 n ALA 12 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1i16 n ALA 12 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1i16 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 13 N -2.99 0.00 -3.57 0.00 2.88 -1.26 -5.03 113.62 103.65 1i16 n SER 13 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1i16 n SER 13 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.00 -1.98 -3.00 -1.46 0.00 -1.26 -4.89 120.51 104.92 1i16 n ALA 14 Ca 0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 1i16 n ALA 14 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 1i16 n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 15 N -4.31 6.78 0.00 0.00 0.01 -1.26 -4.67 113.70 110.25 1i16 s SER 15 Ca 0.03 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 54.88 1i16 s SER 15 Cb -0.01 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1i16 s SER 15 CO 0.77 -0.89 0.00 0.00 0.41 0.00 0.00 173.24 173.53 1i16 n ALA 16 N 5.85 2.23 -1.31 1.44 0.00 -1.26 -5.00 120.51 122.45 1i16 n ALA 16 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1i16 n ALA 16 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.34 -0.16 -0.25 0.00 0.00 -1.26 -4.20 120.51 113.30 1i16 n ALA 17 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1i16 n ALA 17 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.65 0.00 -3.65 0.00 7.64 -1.26 -4.75 113.62 110.95 1i16 n SER 18 Ca -0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 1i16 n SER 18 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1i16 n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1i16 n ASP 19 N 1.43 -5.38 -4.04 6.43 8.00 -1.26 -4.97 116.55 116.76 1i16 n ASP 19 Ca 0.00 -0.75 -0.22 0.00 0.71 0.00 0.00 54.79 54.53 1i16 n ASP 19 Cb 0.00 -2.27 -0.16 0.00 -0.02 0.00 0.00 41.12 38.67 1i16 n ASP 19 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1i16 s VAL 20 N -2.87 0.97 -0.35 2.53 -7.23 -1.26 -5.11 120.40 107.08 1i16 s VAL 20 Ca 0.03 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1i16 s VAL 20 Cb -0.00 -0.85 0.09 0.00 0.56 0.00 0.00 36.38 36.17 1i16 s VAL 20 CO 0.87 0.29 0.09 -0.55 -0.31 0.00 0.00 175.10 175.50 1i16 s SER 21 N 0.14 5.00 -0.17 4.85 0.15 -1.26 -5.06 113.70 117.35 1i16 s SER 21 Ca -0.03 -1.80 -0.29 0.00 0.70 0.00 0.00 55.95 54.54 1i16 s SER 21 Cb -0.09 -1.74 0.10 0.00 -1.71 0.00 0.00 66.02 62.58 1i16 s SER 21 CO 0.01 -0.41 0.87 0.54 1.20 0.00 0.00 173.24 175.45 1i16 s VAL 22 N 1.12 0.00 -0.02 4.45 0.11 -1.26 -5.14 120.40 119.67 1i16 s VAL 22 Ca 0.04 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 1i16 s VAL 22 Cb -0.21 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1i16 s VAL 22 CO -0.04 0.00 0.98 -1.83 -3.33 0.00 0.00 175.10 170.88 1i16 s GLU 23 N -0.65 4.54 -0.26 1.54 -1.05 -1.26 -5.02 118.70 116.54 1i16 s GLU 23 Ca -0.03 1.41 -0.05 0.00 -0.15 0.00 0.00 54.97 56.15 1i16 s GLU 23 Cb -0.02 -3.47 0.01 0.00 -0.44 0.00 0.00 34.13 30.21 1i16 s GLU 23 CO 0.02 -0.09 0.01 0.45 0.95 0.00 0.00 175.26 176.61 1i16 s SER 24 N 1.02 4.71 0.23 0.83 0.15 -1.26 -5.08 113.70 114.30 1i16 s SER 24 Ca 0.51 -0.65 0.05 0.00 0.70 0.00 0.00 55.95 56.56 1i16 s SER 24 Cb -0.21 -1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1i16 s SER 24 CO 0.26 -0.12 0.17 1.07 1.20 0.00 0.00 173.24 175.82 1i16 n THR 25 N 4.80 0.00 -3.27 6.45 5.66 -1.26 -5.16 114.28 121.49 1i16 n THR 25 Ca -0.16 -1.63 0.03 0.00 -3.05 0.00 0.00 64.05 59.24 1i16 n THR 25 Cb 0.49 0.77 -0.04 0.00 -1.55 0.00 0.00 70.33 69.99 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i16 s ALA 26 N -2.87 -3.04 -0.33 1.79 0.00 -1.26 -5.13 121.76 110.91 1i16 s ALA 26 Ca 0.24 1.90 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1i16 s ALA 26 Cb 0.01 -2.19 0.19 0.00 0.00 0.00 0.00 23.12 21.13 1i16 s ALA 26 CO 0.17 -0.97 0.78 -1.21 0.00 0.00 0.00 175.76 174.53 1i16 s GLU 27 N 2.22 0.49 0.03 0.00 2.02 -1.26 -5.13 118.70 117.07 1i16 s GLU 27 Ca -0.01 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 1i16 s GLU 27 Cb -0.03 0.12 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 1i16 s GLU 27 CO -0.17 -0.79 1.32 0.00 0.02 0.00 0.00 175.26 175.64 1i16 s ALA 28 N 2.40 3.52 -0.09 5.21 0.00 -1.26 -4.74 121.76 126.79 1i16 s ALA 28 Ca 0.16 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 1i16 s ALA 28 Cb -0.04 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1i16 s ALA 28 CO -0.18 -0.72 0.33 0.95 0.00 0.00 0.00 175.76 176.15 1i16 s THR 29 N 1.79 0.02 0.41 0.00 -4.23 -1.22 -4.95 115.64 107.47 1i16 s THR 29 Ca 0.61 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1i16 s THR 29 Cb -0.31 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.99 1i16 s THR 29 CO 0.27 -0.08 0.65 -0.69 -0.54 0.00 0.00 174.62 174.24 1i16 s VAL 30 N -0.25 4.82 -0.38 2.29 1.01 -1.26 -0.52 120.40 126.11 1i16 s VAL 30 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1i16 s VAL 30 Cb -0.03 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1i16 s VAL 30 CO 0.02 -0.61 0.32 0.00 0.00 0.00 0.00 175.10 174.82 1i16 s THR 32 N 1.04 4.92 0.03 0.00 2.01 -1.26 -3.15 115.64 119.23 1i16 s THR 32 Ca 0.20 1.44 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 1i16 s THR 32 Cb -0.15 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1i16 s THR 32 CO -0.04 0.03 0.03 0.68 -0.69 0.00 0.00 174.62 174.63 1i16 s VAL 33 N 2.28 0.13 -0.15 3.82 -7.23 -1.12 -4.98 120.40 113.16 1i16 s VAL 33 Ca 0.33 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1i16 s VAL 33 Cb -0.16 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1i16 s VAL 33 CO 0.10 -0.61 -0.09 0.42 -0.31 0.00 0.00 175.10 174.61 1i16 s THR 34 N -2.29 3.41 -0.82 5.32 -4.23 -1.26 0.68 115.64 116.46 1i16 s THR 34 Ca -0.08 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1i16 s THR 34 Cb -0.03 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.66 1i16 s THR 34 CO -0.04 0.50 1.38 0.18 -0.54 0.00 0.00 174.62 176.11 1i16 n LEU 35 N 3.62 5.90 0.00 4.79 7.99 0.60 -4.84 117.00 135.06 1i16 n LEU 35 Ca -0.18 -5.52 0.00 0.00 -0.01 0.00 0.00 56.01 50.31 1i16 n LEU 35 Cb 0.52 -0.88 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 1i16 n LEU 35 CO 0.31 2.17 0.00 -0.62 -1.51 0.00 0.00 177.39 177.74 1i16 n GLU 36 N -0.04 0.00 -2.62 3.23 4.71 -1.26 -4.37 120.64 120.29 1i16 n GLU 36 Ca 0.38 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 57.12 1i16 n GLU 36 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.71 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1i16 s LYS 37 N 0.00 4.69 -0.28 3.49 1.02 0.11 -4.14 119.74 124.63 1i16 s LYS 37 Ca 0.00 1.61 0.21 0.00 0.02 0.00 0.00 55.97 57.80 1i16 s LYS 37 Cb 0.00 -3.29 0.49 0.00 -0.52 0.00 0.00 37.83 34.51 1i16 s LYS 37 CO 0.00 0.24 1.20 -1.33 -0.92 0.00 0.00 175.35 174.54 1i16 n MET 38 N 2.11 1.64 -1.88 1.68 2.81 -1.26 -3.94 117.12 118.27 1i16 n MET 38 Ca 0.01 -3.01 -0.02 0.00 -1.81 0.00 0.00 57.70 52.87 1i16 n MET 38 Cb 0.47 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i16 n SER 39 N -0.79 -3.61 0.00 7.83 2.88 -1.26 -4.97 113.62 113.69 1i16 n SER 39 Ca 0.02 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1i16 n SER 39 Cb 0.82 -2.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 40 N -0.66 0.00 0.00 -1.46 0.00 -1.26 -5.05 120.51 112.07 1i16 n ALA 40 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1i16 n ALA 40 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.15 0.87 1.80 0.00 0.00 -1.26 -4.64 105.19 100.81 1i16 n GLY 41 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.84 0.99 4.77 -1.26 -0.82 117.00 119.84 1i16 n LEU 42 Ca 0.00 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1i16 n LEU 42 Cb 0.00 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 1i16 n LEU 42 CO 0.00 0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.63 1i16 n GLY 43 N -0.29 0.42 2.99 -0.72 0.00 -1.26 -4.85 105.19 101.48 1i16 n GLY 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.18 0.16 -0.04 1.61 -0.12 0.00 0.26 117.98 118.67 1i16 s PHE 44 Ca 0.00 -0.33 0.06 0.00 -0.05 0.00 0.00 56.93 56.62 1i16 s PHE 44 Cb 0.00 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 1i16 s PHE 44 CO 0.00 -0.17 -0.23 -1.54 -0.05 0.00 0.00 175.22 173.23 1i16 s SER 45 N -1.13 2.76 0.02 1.98 1.04 -0.84 -4.98 113.70 112.54 1i16 s SER 45 Ca -0.12 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.73 1i16 s SER 45 Cb -0.07 -0.60 -0.06 0.00 0.10 0.00 0.00 66.02 65.39 1i16 s SER 45 CO -0.00 0.24 0.40 -0.76 0.98 0.00 0.00 173.24 174.10 1i16 s LEU 46 N -0.26 4.44 0.09 2.42 1.02 -1.26 -1.77 118.68 123.36 1i16 s LEU 46 Ca 0.01 0.90 0.04 0.00 0.02 0.00 0.00 54.13 55.10 1i16 s LEU 46 Cb -0.12 -2.68 -0.03 0.00 0.02 0.00 0.00 46.19 43.38 1i16 s LEU 46 CO 0.02 0.29 -0.10 -1.61 0.02 0.00 0.00 176.35 174.96 1i16 s GLU 47 N -1.30 0.82 0.00 1.70 2.02 0.67 -4.81 118.70 117.80 1i16 s GLU 47 Ca 0.26 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1i16 s GLU 47 Cb -0.16 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1i16 s GLU 47 CO 0.14 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1i16 n GLY 48 N 0.69 0.33 0.00 -1.39 0.00 -1.26 0.19 105.19 103.75 1i16 n GLY 48 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 3.18 3.37 -0.02 0.00 -1.25 -4.77 105.19 105.71 1i16 n GLY 49 Ca 0.00 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 1i16 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i16 s LYS 50 N 1.80 3.38 -0.31 1.61 -2.85 -1.26 -1.63 119.74 120.49 1i16 s LYS 50 Ca 0.00 -1.90 -0.36 0.00 -1.00 0.00 0.00 55.97 52.71 1i16 s LYS 50 Cb 0.00 -4.49 -0.12 0.00 -2.06 0.00 0.00 37.83 31.16 1i16 s LYS 50 CO 0.00 -1.48 2.06 0.41 0.10 0.00 0.00 175.35 176.44 1i16 n GLY 51 N 4.83 0.67 0.67 0.59 0.00 -0.66 -4.64 105.19 106.64 1i16 n GLY 51 Ca 0.07 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 8.53 0.00 0.00 1.61 7.64 -1.26 -4.73 113.62 125.41 1i16 n SER 52 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1i16 n SER 52 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1i16 n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i16 n LEU 53 N -1.84 0.00 -1.57 -3.43 4.77 -1.26 -4.93 117.00 108.74 1i16 n LEU 53 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1i16 n LEU 53 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 1i16 n LEU 53 CO 0.00 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 176.88 1i16 n HIS 54 N -0.92 1.61 -0.12 -1.77 1.44 -1.26 -4.16 115.22 110.04 1i16 n HIS 54 Ca 0.00 -0.90 -0.26 0.00 -2.01 0.00 0.00 57.72 54.56 1i16 n HIS 54 Cb 0.00 -0.52 -0.11 0.00 0.12 0.00 0.00 29.99 29.48 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 -0.06 -0.50 1.55 -1.39 0.00 -1.26 -5.05 105.19 98.47 1i16 n GLY 55 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1i16 n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i16 n ASP 56 N -4.03 -2.30 -3.75 1.61 -0.08 -1.26 -5.04 116.55 101.70 1i16 n ASP 56 Ca -0.48 -0.06 -0.29 0.00 -1.51 0.00 0.00 54.79 52.45 1i16 n ASP 56 Cb 0.89 -0.89 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1i16 s LYS 57 N -3.32 1.58 -0.37 -0.67 0.00 -1.26 -4.90 119.74 110.81 1i16 s LYS 57 Ca 0.03 -2.38 -0.23 0.00 0.00 0.00 0.00 55.97 53.39 1i16 s LYS 57 Cb -0.00 -2.60 0.01 0.00 0.00 0.00 0.00 37.83 35.24 1i16 s LYS 57 CO 0.06 -1.21 0.78 -1.25 0.00 0.00 0.00 175.35 173.73 1i16 s PRO 58 N -0.14 3.72 -0.02 1.78 0.04 -1.26 -1.65 135.00 137.46 1i16 s PRO 58 Ca 0.21 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 1i16 s PRO 58 Cb -0.17 -3.82 -0.08 0.00 0.04 0.00 0.00 34.50 30.47 1i16 s PRO 58 CO -0.06 -0.87 1.92 -0.51 0.04 0.00 0.00 177.00 177.53 1i16 s LEU 59 N 3.09 4.28 0.14 -3.56 1.43 -1.26 -4.38 118.68 118.43 1i16 s LEU 59 Ca 0.31 2.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.92 1i16 s LEU 59 Cb -0.13 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1i16 s LEU 59 CO 0.17 -1.14 -0.12 0.42 0.23 0.00 0.00 176.35 175.91 1i16 s THR 60 N 4.84 1.26 -0.16 5.49 -4.23 0.49 -3.37 115.64 119.96 1i16 s THR 60 Ca 0.86 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 1i16 s THR 60 Cb -0.39 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 1i16 s THR 60 CO 0.38 -0.61 1.20 -0.63 -0.54 0.00 0.00 174.62 174.42 1i16 s ILE 61 N -2.83 4.37 -0.15 2.99 1.01 -1.15 0.24 121.20 125.68 1i16 s ILE 61 Ca 0.14 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.37 1i16 s ILE 61 Cb -0.01 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1i16 s ILE 61 CO 0.02 -0.12 -0.19 0.59 0.00 0.00 0.00 174.94 175.23 1i16 n ASN 62 N 6.32 1.06 -4.20 3.58 4.13 -0.73 -0.20 115.26 125.22 1i16 n ASN 62 Ca 0.13 0.18 -0.41 0.00 1.68 0.00 0.00 54.58 56.16 1i16 n ASN 62 Cb 0.45 -0.44 -0.08 0.00 -1.54 0.00 0.00 39.78 38.17 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 -2.27 2.54 0.04 3.52 0.52 -1.24 -4.88 118.95 117.17 1i16 s ARG 63 Ca -0.21 -1.91 -0.06 0.00 -0.52 0.00 0.00 55.73 53.03 1i16 s ARG 63 Cb 0.08 -3.92 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1i16 s ARG 63 CO 0.26 -1.19 0.29 0.42 0.02 0.00 0.00 175.30 175.10 1i16 s ILE 64 N 1.09 5.27 0.42 1.52 1.01 -1.26 -1.99 121.20 127.26 1i16 s ILE 64 Ca 0.08 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.93 1i16 s ILE 64 Cb -0.24 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1i16 s ILE 64 CO -0.02 0.29 0.31 -0.36 0.00 0.00 0.00 174.94 175.16 1i16 s PHE 65 N -1.38 2.59 -0.53 3.97 0.08 0.73 -4.96 117.98 118.48 1i16 s PHE 65 Ca 0.31 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1i16 s PHE 65 Cb -0.13 -2.07 0.13 0.00 -0.57 0.00 0.00 43.02 40.38 1i16 s PHE 65 CO 0.19 -0.03 0.28 0.21 -0.10 0.00 0.00 175.22 175.77 1i16 s LYS 66 N -4.06 2.07 0.00 0.44 2.47 -1.26 -4.80 119.74 114.60 1i16 s LYS 66 Ca 0.44 -2.58 0.00 0.00 -1.56 0.00 0.00 55.97 52.27 1i16 s LYS 66 Cb -0.00 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1i16 s LYS 66 CO 0.25 -1.11 0.00 0.41 0.16 0.00 0.00 175.35 175.06 1i16 n GLY 67 N 3.22 -1.43 2.90 5.54 0.00 -1.26 -5.16 105.19 109.00 1i16 n GLY 67 Ca 0.05 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 n ALA 68 N 0.00 -0.87 -1.25 4.61 0.00 -1.26 -4.83 120.51 116.90 1i16 n ALA 68 Ca 0.00 -1.17 0.14 0.00 0.00 0.00 0.00 53.44 52.41 1i16 n ALA 68 Cb 0.00 0.94 -0.06 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.07 -3.37 -1.00 0.00 0.00 -1.26 -4.19 120.51 109.62 1i16 n ALA 69 Ca -0.12 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1i16 n ALA 69 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1i16 n ALA 69 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 70 N -4.22 0.00 -2.16 0.00 3.41 -1.26 -4.22 113.62 105.17 1i16 n SER 70 Ca -0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.40 1i16 n SER 70 Cb 0.62 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.42 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 2.17 -1.34 4.33 0.00 -1.26 -4.91 120.64 119.63 1i16 n GLU 71 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 57.16 55.43 1i16 n GLU 71 Cb 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 31.44 29.24 1i16 n GLU 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1i16 n GLN 72 N 2.25 0.00 0.00 3.44 0.00 -1.26 -4.61 117.38 117.20 1i16 n GLN 72 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 1i16 n GLN 72 Cb 0.82 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.68 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1i16 n SER 73 N 9.21 3.92 -1.28 1.69 3.41 -1.26 -4.91 113.62 124.40 1i16 n SER 73 Ca 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.17 1i16 n SER 73 Cb 0.02 0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1i16 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i16 n GLU 74 N -1.95 0.28 -0.44 4.33 1.02 -1.26 -4.96 120.64 117.67 1i16 n GLU 74 Ca 0.00 -0.69 -0.01 0.00 -0.02 0.00 0.00 57.16 56.44 1i16 n GLU 74 Cb 0.42 0.43 0.15 0.00 -0.02 0.00 0.00 31.44 32.42 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i16 n THR 75 N -0.32 1.43 -3.70 2.62 -2.24 -1.26 -4.83 114.28 105.97 1i16 n THR 75 Ca -0.16 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 1i16 n THR 75 Cb 0.61 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.68 0.07 -0.15 2.28 -7.23 -1.26 -4.89 120.40 107.55 1i16 s VAL 76 Ca 0.24 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1i16 s VAL 76 Cb 0.19 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 36.15 1i16 s VAL 76 CO 0.06 -0.34 0.39 0.00 -0.31 0.00 0.00 175.10 174.90 1i16 s GLN 77 N -2.89 0.43 -0.17 4.82 0.00 -1.26 -5.12 119.66 115.47 1i16 s GLN 77 Ca -0.03 0.60 -0.29 0.00 -0.00 0.00 0.00 55.36 55.65 1i16 s GLN 77 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 33.01 33.15 1i16 s GLN 77 CO -0.05 -0.08 0.99 -1.25 0.00 0.00 0.00 175.29 174.89 1i16 s PRO 78 N 0.55 4.34 0.00 9.60 0.04 -1.26 -3.52 135.00 144.75 1i16 s PRO 78 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1i16 s PRO 78 Cb -0.04 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1i16 s PRO 78 CO -0.03 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1i16 n GLY 79 N 3.25 0.56 3.84 0.56 0.00 0.72 -4.98 105.19 109.14 1i16 n GLY 79 Ca 0.09 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 6.70 -1.21 1.61 1.01 -1.23 -4.81 116.67 116.71 1i16 s ASP 80 Ca 0.00 1.56 -0.10 0.00 0.71 0.00 0.00 52.55 54.72 1i16 s ASP 80 Cb 0.00 -2.50 0.20 0.00 1.01 0.00 0.00 42.92 41.63 1i16 s ASP 80 CO 0.00 -0.51 1.55 1.21 0.21 0.00 0.00 175.17 177.63 1i16 n GLU 81 N -1.31 3.61 -1.85 8.23 2.13 -1.26 -2.96 120.64 127.24 1i16 n GLU 81 Ca 0.06 -3.91 -0.42 0.00 0.66 0.00 0.00 57.16 53.56 1i16 n GLU 81 Cb 0.54 -2.87 -0.03 0.00 0.27 0.00 0.00 31.44 29.35 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1i16 s ILE 82 N 0.27 2.95 -0.06 6.31 1.01 -1.22 -3.21 121.20 127.25 1i16 s ILE 82 Ca 0.39 0.33 -0.00 0.00 0.00 0.00 0.00 60.65 61.37 1i16 s ILE 82 Cb 0.01 -3.21 -0.26 0.00 0.01 0.00 0.00 42.46 39.01 1i16 s ILE 82 CO 0.00 -0.01 0.59 0.17 0.00 0.00 0.00 174.94 175.70 1i16 h LEU 83 N 8.97 0.30 -8.64 2.97 -0.00 0.17 -3.44 115.31 115.64 1i16 h LEU 83 Ca -0.44 -0.57 -0.27 0.00 -0.00 0.00 0.00 57.88 56.59 1i16 h LEU 83 Cb 1.21 -0.10 -0.15 0.00 -0.00 0.00 0.00 40.66 41.62 1i16 h LEU 83 CO 0.94 1.50 -0.65 -1.58 -0.00 0.00 0.00 178.44 178.65 1i16 s GLN 84 N -2.59 1.12 0.00 0.17 0.74 -1.23 0.19 119.66 118.05 1i16 s GLN 84 Ca -0.13 -1.55 0.00 0.00 0.05 0.00 0.00 55.36 53.73 1i16 s GLN 84 Cb 0.07 -0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.03 1i16 s GLN 84 CO 0.81 -0.19 0.00 -0.11 -0.55 0.00 0.00 175.29 175.25 1i16 n LEU 85 N -0.24 0.00 -0.19 3.68 -0.00 0.17 -2.95 117.00 117.46 1i16 n LEU 85 Ca -0.05 0.00 0.29 0.00 -0.00 0.00 0.00 56.01 56.25 1i16 n LEU 85 Cb 0.64 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.64 1i16 n LEU 85 CO 0.33 0.00 1.27 1.23 -0.00 0.00 0.00 177.39 180.22 1i16 h GLY 86 N 0.00 0.00 -4.17 -3.96 0.00 -1.79 -3.20 103.07 89.95 1i16 h GLY 86 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1i16 h GLY 86 CO 0.00 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 177.05 1i16 n GLY 87 N -1.68 0.34 3.27 4.60 0.00 -1.26 -4.78 105.19 105.68 1i16 n GLY 87 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.07 -0.11 -0.35 2.61 -1.32 -1.21 -4.61 115.64 110.73 1i16 s THR 88 Ca 0.06 0.10 -0.12 0.00 -1.21 0.00 0.00 61.69 60.52 1i16 s THR 88 Cb 0.20 -0.62 -0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1i16 s THR 88 CO -0.06 0.04 0.22 0.00 -2.21 0.00 0.00 174.62 172.62 1i16 s ALA 89 N 1.58 3.41 0.00 11.08 0.00 -1.26 0.41 121.76 136.98 1i16 s ALA 89 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1i16 s ALA 89 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1i16 s ALA 89 CO -0.13 -1.07 0.95 -1.33 0.00 0.00 0.00 175.76 174.18 1i16 n MET 90 N 5.06 0.00 -0.37 0.00 2.81 0.49 -1.27 117.12 123.85 1i16 n MET 90 Ca -0.13 0.72 0.37 0.00 -1.81 0.00 0.00 57.70 56.86 1i16 n MET 90 Cb 0.49 -1.45 0.64 0.00 -0.71 0.00 0.00 33.22 32.19 1i16 n MET 90 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1i16 h GLN 91 N 0.00 0.00 -1.33 0.03 1.08 -1.87 0.73 115.11 113.75 1i16 h GLN 91 Ca 0.00 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.56 1i16 h GLN 91 Cb 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.07 1i16 h GLN 91 CO 0.00 0.00 0.04 0.41 -0.95 0.00 0.00 178.83 178.33 1i16 n GLY 92 N -1.78 5.96 3.61 3.46 0.00 -0.39 -4.61 105.19 111.44 1i16 n GLY 92 Ca 0.30 -2.57 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.75 -0.28 0.99 0.99 1.43 0.26 -4.75 118.68 113.57 1i16 s LEU 93 Ca 0.53 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 1i16 s LEU 93 Cb 0.44 1.61 0.18 0.00 0.03 0.00 0.00 46.19 48.45 1i16 s LEU 93 CO -0.15 -0.21 1.09 -0.89 0.23 0.00 0.00 176.35 176.42 1i16 s THR 94 N -0.76 2.14 0.07 5.49 2.01 -1.26 -4.25 115.64 119.08 1i16 s THR 94 Ca 0.02 0.05 -0.33 0.00 0.31 0.00 0.00 61.69 61.74 1i16 s THR 94 Cb -0.02 -2.53 -0.19 0.00 0.01 0.00 0.00 72.50 69.77 1i16 s THR 94 CO -0.04 -0.06 1.62 -0.09 -0.69 0.00 0.00 174.62 175.36 1i16 h ARG 95 N -1.87 -0.86 0.17 4.92 1.12 -1.61 0.46 114.38 116.72 1i16 h ARG 95 Ca -0.54 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.38 1i16 h ARG 95 Cb 1.32 0.20 0.00 0.00 -0.01 0.00 0.00 29.97 31.48 1i16 h ARG 95 CO 0.57 -0.57 -0.08 0.74 -3.11 0.00 0.00 179.97 177.52 1i16 h PHE 96 N -0.90 -0.22 -0.70 2.20 0.04 -1.91 -2.15 116.94 113.30 1i16 h PHE 96 Ca -0.09 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.81 1i16 h PHE 96 Cb 0.69 0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.82 1i16 h PHE 96 CO -0.03 -0.02 0.23 0.93 -0.60 0.00 0.00 178.31 178.83 1i16 h GLU 97 N -0.38 0.35 0.16 1.51 4.39 -1.91 0.11 114.58 118.81 1i16 h GLU 97 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1i16 h GLU 97 Cb 0.30 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1i16 h GLU 97 CO 0.04 0.23 -0.15 0.00 -1.16 0.00 0.00 179.01 177.97 1i16 h ALA 98 N 1.53 -0.88 0.00 3.43 0.00 0.27 -0.60 119.26 123.01 1i16 h ALA 98 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1i16 h ALA 98 Cb 0.58 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i16 h ALA 98 CO -0.41 -0.89 0.05 1.87 0.00 0.00 0.00 179.25 179.87 1i16 n TRP 99 N -3.23 0.22 -0.03 0.00 -0.00 -0.84 -2.33 117.44 111.23 1i16 n TRP 99 Ca -0.04 0.11 -0.18 0.00 -0.00 0.00 0.00 57.50 57.40 1i16 n TRP 99 Cb 0.14 -0.64 -0.13 0.00 -0.00 0.00 0.00 31.31 30.68 1i16 n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1i16 h ASN 100 N 0.00 0.17 -0.98 5.87 -0.26 0.74 -3.25 115.58 117.88 1i16 h ASN 100 Ca 0.00 -0.88 0.07 0.00 -0.56 0.00 0.00 56.30 54.93 1i16 h ASN 100 Cb 0.10 -0.06 -0.07 0.00 -1.06 0.00 0.00 38.32 37.24 1i16 h ASN 100 CO 0.00 1.28 0.63 0.40 -1.06 0.00 0.00 177.43 178.68 1i16 h ILE 101 N -0.73 1.05 0.08 2.81 5.03 -0.93 -2.31 117.51 122.50 1i16 h ILE 101 Ca -0.14 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1i16 h ILE 101 Cb 1.33 -0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.95 1i16 h ILE 101 CO 0.01 0.20 -0.14 0.40 -0.68 0.00 0.00 178.15 177.94 1i16 h ILE 102 N 1.11 0.00 -1.56 -0.67 5.03 -1.68 0.76 117.51 120.51 1i16 h ILE 102 Ca 0.44 0.00 0.48 0.00 -0.12 0.00 0.00 64.86 65.65 1i16 h ILE 102 Cb 0.22 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.91 1i16 h ILE 102 CO -0.19 0.00 1.07 0.11 -0.68 0.00 0.00 178.15 178.46 1i16 h LYS 103 N -0.24 0.04 0.00 2.37 1.79 -1.51 2.25 116.57 121.26 1i16 h LYS 103 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1i16 h LYS 103 Cb 0.22 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1i16 h LYS 103 CO -0.05 0.03 -0.18 0.00 -1.08 0.00 0.00 179.45 178.16 1i16 n ALA 104 N -2.71 2.61 -0.97 3.86 0.00 0.05 -4.88 120.51 118.47 1i16 n ALA 104 Ca 0.39 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1i16 n ALA 104 Cb 1.64 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.68 0.56 0.94 0.00 1.02 0.76 -5.04 118.68 113.23 1i16 s LEU 105 Ca 0.11 0.76 -0.14 0.00 0.02 0.00 0.00 54.13 54.88 1i16 s LEU 105 Cb 0.16 -2.51 0.20 0.00 0.02 0.00 0.00 46.19 44.06 1i16 s LEU 105 CO 0.61 -4.19 1.28 -2.16 0.02 0.00 0.00 176.35 171.91 1i16 s PRO 106 N -5.27 0.72 -0.81 1.29 0.04 -1.26 -5.01 135.00 124.70 1i16 s PRO 106 Ca 0.70 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.03 1i16 s PRO 106 Cb -0.12 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1i16 s PRO 106 CO 0.57 -2.32 0.83 -0.51 0.04 0.00 0.00 177.00 175.60 1i16 s ASP 107 N -4.89 6.63 0.00 6.66 1.11 -1.26 -4.87 116.67 120.05 1i16 s ASP 107 Ca 0.74 -2.35 0.00 0.00 0.18 0.00 0.00 52.55 51.12 1i16 s ASP 107 Cb -0.04 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.69 1i16 s ASP 107 CO 0.52 -0.76 0.00 0.61 1.18 0.00 0.00 175.17 176.72 1i16 n GLY 108 N 4.56 4.36 3.55 0.21 0.00 -1.25 -4.79 105.19 111.82 1i16 n GLY 108 Ca 0.12 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 3.92 3.10 -0.27 1.61 0.04 -1.26 0.10 135.00 142.24 1i16 s PRO 109 Ca 0.00 -0.27 -0.22 0.00 0.04 0.00 0.00 61.00 60.55 1i16 s PRO 109 Cb 0.00 -4.57 -0.01 0.00 0.04 0.00 0.00 34.50 29.96 1i16 s PRO 109 CO 0.00 -2.40 0.72 0.54 0.04 0.00 0.00 177.00 175.90 1i16 s VAL 110 N 6.67 4.90 -0.12 -0.36 0.11 -1.26 -4.81 120.40 125.53 1i16 s VAL 110 Ca 0.47 1.22 -0.12 0.00 -2.93 0.00 0.00 61.98 60.62 1i16 s VAL 110 Cb -0.07 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 1i16 s VAL 110 CO 0.09 -0.08 0.27 -0.89 -3.33 0.00 0.00 175.10 171.15 1i16 s THR 111 N 2.71 5.30 -0.46 5.04 2.01 -1.26 0.22 115.64 129.21 1i16 s THR 111 Ca 0.30 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1i16 s THR 111 Cb -0.15 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 68.90 1i16 s THR 111 CO 0.09 0.49 0.22 0.27 -0.69 0.00 0.00 174.62 175.01 1i16 s ILE 112 N -0.24 2.95 -0.26 1.82 -0.00 0.22 -2.70 121.20 122.98 1i16 s ILE 112 Ca 0.17 -2.59 -0.20 0.00 -0.00 0.00 0.00 60.65 58.03 1i16 s ILE 112 Cb -0.13 -3.04 -0.02 0.00 -0.00 0.00 0.00 42.46 39.27 1i16 s ILE 112 CO 0.05 -0.73 0.62 -0.69 -0.00 0.00 0.00 174.94 174.20 1i16 s VAL 113 N 0.52 4.99 0.30 8.37 1.01 -1.15 -2.78 120.40 131.65 1i16 s VAL 113 Ca 0.13 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1i16 s VAL 113 Cb -0.22 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1i16 s VAL 113 CO -0.04 0.02 0.09 2.30 0.00 0.00 0.00 175.10 177.46 1i16 n ILE 114 N 5.21 0.00 -3.31 2.22 -5.35 -1.19 0.18 119.36 117.13 1i16 n ILE 114 Ca -0.01 -1.69 -0.08 0.00 -0.27 0.00 0.00 62.75 60.71 1i16 n ILE 114 Cb 0.49 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 38.89 1i16 n ILE 114 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1i16 s ARG 115 N -3.13 0.39 -1.36 6.28 3.52 -1.20 -2.89 118.95 120.57 1i16 s ARG 115 Ca 0.13 0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 56.10 1i16 s ARG 115 Cb 0.01 -0.32 0.10 0.00 -1.56 0.00 0.00 34.95 33.18 1i16 s ARG 115 CO 0.09 -0.77 2.31 -2.13 -0.81 0.00 0.00 175.30 173.99 1i16 n ARG 116 N 5.37 4.07 -3.89 5.12 0.63 0.32 -4.07 116.66 124.20 1i16 n ARG 116 Ca -0.02 -3.24 -0.23 0.00 -0.92 0.00 0.00 57.85 53.44 1i16 n ARG 116 Cb 0.50 -2.79 -0.05 0.00 0.45 0.00 0.00 32.46 30.57 1i16 n ARG 116 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1i16 s LYS 117 N 0.06 2.39 -0.10 -0.14 -2.85 -1.26 -3.39 119.74 114.45 1i16 s LYS 117 Ca 0.52 -1.65 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 1i16 s LYS 117 Cb 0.15 -2.19 0.12 0.00 -2.06 0.00 0.00 37.83 33.85 1i16 s LYS 117 CO -0.06 -0.10 0.95 -1.54 0.10 0.00 0.00 175.35 174.70 1i16 s SER 118 N -3.99 -0.37 -0.24 0.03 1.04 -1.26 -5.03 113.70 103.89 1i16 s SER 118 Ca 0.43 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 1i16 s SER 118 Cb -0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1i16 s SER 118 CO 0.25 -0.45 0.08 0.18 0.98 0.00 0.00 173.24 174.28 1i16 n LEU 119 N 0.34 -6.34 0.00 2.42 7.99 -1.26 -4.95 117.00 115.20 1i16 n LEU 119 Ca -0.10 0.92 0.00 0.00 -0.01 0.00 0.00 56.01 56.82 1i16 n LEU 119 Cb 0.59 -2.71 0.00 0.00 -0.11 0.00 0.00 43.42 41.20 1i16 n LEU 119 CO 0.14 -2.21 0.00 1.67 -1.51 0.00 0.00 177.39 175.48 1i16 n GLN 120 N 0.34 0.00 -2.68 3.23 -0.06 -1.26 -5.08 117.38 111.87 1i16 n GLN 120 Ca 0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.99 1i16 n GLN 120 Cb 0.06 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.25 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1i16 n SER 121 N 0.00 -6.68 0.00 1.69 7.64 -1.26 -5.05 113.62 109.96 1i16 n SER 121 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1i16 n SER 121 Cb 0.00 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1i16 n SER 121 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i16 n LYS 122 N -1.13 0.00 -2.53 1.43 4.81 -1.26 -5.11 118.16 114.37 1i16 n LYS 122 Ca 0.04 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 1i16 n LYS 122 Cb 0.45 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.48 1i16 n LYS 122 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1i16 s GLU 123 N -0.55 3.92 0.09 1.64 2.02 -1.26 -4.77 118.70 119.79 1i16 s GLU 123 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.03 1i16 s GLU 123 Cb 0.00 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1i16 s GLU 123 CO 0.00 -1.11 0.00 2.41 0.02 0.00 0.00 175.26 176.58 1i16 n THR 124 N 6.24 0.06 -4.56 3.63 -1.04 -1.26 -5.05 114.28 112.31 1i16 n THR 124 Ca 0.13 0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 1i16 n THR 124 Cb 0.47 -0.32 -0.10 0.00 -1.82 0.00 0.00 70.33 68.56 1i16 n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1i16 s THR 125 N -1.33 1.46 0.00 12.58 2.01 -1.26 -5.02 115.64 124.09 1i16 s THR 125 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 1i16 s THR 125 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1i16 s THR 125 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1i16 n ALA 126 N -0.88 0.00 -3.40 7.40 0.00 -1.26 -3.93 120.51 118.44 1i16 n ALA 126 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 1i16 n ALA 126 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 127 N -1.98 4.42 0.32 0.00 0.00 -1.26 -5.04 121.76 118.21 1i16 s ALA 127 Ca 0.00 -3.66 -0.29 0.00 0.00 0.00 0.00 51.96 48.01 1i16 s ALA 127 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1i16 s ALA 127 CO 0.00 -2.21 1.46 0.20 0.00 0.00 0.00 175.76 175.21 1i16 s GLY 128 N 1.32 2.62 0.00 0.00 0.00 -1.25 -4.95 107.32 105.05 1i16 s GLY 128 Ca 0.26 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.42 1i16 s GLY 128 CO -0.09 2.26 0.00 1.34 0.00 0.00 0.00 173.10 176.61 1i16 n ASP 129 N 1.38 0.00 0.00 1.64 -0.08 -1.26 -4.98 116.55 113.25 1i16 n ASP 129 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1i16 n ASP 129 Cb 0.40 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1i16 n ASP 129 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08