#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 2.05 -1.08 0.03 0.04 -1.26 -5.00 135.00 129.78 1i16 s PRO 2 Ca 0.00 0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.31 1i16 s PRO 2 Cb 0.00 -1.94 0.27 0.00 0.04 0.00 0.00 34.50 32.87 1i16 s PRO 2 CO 0.00 -1.58 1.10 -0.25 0.04 0.00 0.00 177.00 176.31 1i16 n ASP 3 N -3.35 5.40 -4.41 6.66 9.92 -1.26 -4.98 116.55 124.54 1i16 n ASP 3 Ca 0.07 -3.09 -0.45 0.00 -0.53 0.00 0.00 54.79 50.80 1i16 n ASP 3 Cb 0.59 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1i16 s LEU 4 N -1.46 5.41 0.03 0.64 2.01 -1.26 -4.76 118.68 119.29 1i16 s LEU 4 Ca 0.31 -1.90 0.00 0.00 0.01 0.00 0.00 54.13 52.54 1i16 s LEU 4 Cb -0.08 -2.34 0.00 0.00 0.01 0.00 0.00 46.19 43.78 1i16 s LEU 4 CO -0.07 -1.02 0.00 -3.20 1.01 0.00 0.00 176.35 173.07 1i16 n ASN 5 N 6.10 -4.60 -0.67 2.29 4.05 -1.26 -4.94 115.26 116.23 1i16 n ASN 5 Ca 0.10 0.61 0.07 0.00 0.45 0.00 0.00 54.58 55.81 1i16 n ASN 5 Cb 0.47 -2.46 0.12 0.00 1.23 0.00 0.00 39.78 39.13 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1i16 n SER 6 N 0.65 2.64 -4.03 1.20 7.64 -1.26 -4.98 113.62 115.47 1i16 n SER 6 Ca 0.00 -1.78 -0.33 0.00 1.01 0.00 0.00 58.87 57.77 1i16 n SER 6 Cb 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 1i16 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i16 n SER 7 N 0.78 -1.70 0.00 6.43 2.88 -1.26 -4.83 113.62 115.92 1i16 n SER 7 Ca 0.11 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1i16 n SER 7 Cb 0.41 -2.42 0.00 0.00 -0.75 0.00 0.00 64.21 61.45 1i16 n SER 7 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1i16 n THR 8 N -4.56 0.00 -1.41 2.46 5.66 -1.26 -5.13 114.28 110.04 1i16 n THR 8 Ca -0.23 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.33 1i16 n THR 8 Cb 0.65 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1i16 n THR 8 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1i16 n ASP 9 N 0.00 -1.31 0.00 1.09 9.92 -1.26 -4.87 116.55 120.12 1i16 n ASP 9 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1i16 n ASP 9 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1i16 n ASP 9 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i16 n SER 10 N 1.70 0.00 -0.21 -2.24 7.64 -1.26 -4.90 113.62 114.36 1i16 n SER 10 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1i16 n SER 10 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 11 N -1.80 0.00 -0.35 -0.43 0.00 -1.26 -4.60 120.51 112.06 1i16 n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 12 N 1.43 0.00 -1.57 0.00 0.00 -1.26 -4.19 120.51 114.92 1i16 n ALA 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1i16 n ALA 12 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1i16 n ALA 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 13 N -4.00 3.78 -0.15 0.00 0.01 -1.26 -4.60 113.70 107.48 1i16 s SER 13 Ca 0.00 -0.12 0.17 0.00 1.31 0.00 0.00 55.95 57.31 1i16 s SER 13 Cb 0.00 -2.56 0.43 0.00 0.21 0.00 0.00 66.02 64.10 1i16 s SER 13 CO 0.00 -4.06 1.31 0.00 0.41 0.00 0.00 173.24 170.90 1i16 n ALA 14 N 18.94 2.68 -4.12 1.44 0.00 -1.26 -4.97 120.51 133.23 1i16 n ALA 14 Ca 0.46 -2.38 -0.29 0.00 0.00 0.00 0.00 53.44 51.23 1i16 n ALA 14 Cb 0.44 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 1i16 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 15 N -0.83 -0.34 -0.93 0.00 2.88 -1.26 -4.94 113.62 108.21 1i16 n SER 15 Ca 0.19 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1i16 n SER 15 Cb 0.78 -2.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.73 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N -4.44 0.00 -1.73 -1.46 0.00 -1.26 -5.07 120.51 106.55 1i16 n ALA 16 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1i16 n ALA 16 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.00 1.33 -2.26 0.00 0.00 -1.26 -5.10 120.51 110.22 1i16 n ALA 17 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1i16 n ALA 17 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1i16 n ALA 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 18 N 0.00 -8.78 -3.40 0.00 2.88 -1.26 -4.80 113.62 98.26 1i16 n SER 18 Ca -0.12 1.68 -0.41 0.00 -1.33 0.00 0.00 58.87 58.70 1i16 n SER 18 Cb 0.45 -4.96 0.03 0.00 -0.75 0.00 0.00 64.21 58.97 1i16 n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i16 n ASP 19 N 1.90 7.43 -4.18 -3.46 -0.08 -1.26 -4.95 116.55 111.95 1i16 n ASP 19 Ca 0.00 -3.73 -0.25 0.00 -1.51 0.00 0.00 54.79 49.30 1i16 n ASP 19 Cb 0.00 -1.14 -0.15 0.00 2.34 0.00 0.00 41.12 42.17 1i16 n ASP 19 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1i16 s VAL 20 N -4.52 1.45 0.13 5.18 1.01 -1.26 -5.14 120.40 117.25 1i16 s VAL 20 Ca 0.44 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1i16 s VAL 20 Cb 0.27 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1i16 s VAL 20 CO -0.22 0.40 0.25 -0.94 0.00 0.00 0.00 175.10 174.58 1i16 s SER 21 N -0.46 0.07 -0.56 3.32 1.04 -1.26 -5.08 113.70 110.77 1i16 s SER 21 Ca 0.07 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 55.78 1i16 s SER 21 Cb -0.07 0.40 0.34 0.00 0.10 0.00 0.00 66.02 66.79 1i16 s SER 21 CO -0.01 -0.83 0.94 0.55 0.98 0.00 0.00 173.24 174.88 1i16 n VAL 22 N -0.15 2.82 -2.59 5.02 3.14 -1.26 -4.74 118.33 120.57 1i16 n VAL 22 Ca -0.10 -5.48 -0.01 0.00 -2.96 0.00 0.00 64.34 55.79 1i16 n VAL 22 Cb 0.63 -1.31 0.04 0.00 -1.06 0.00 0.00 33.84 32.14 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 -0.22 0.97 -3.51 1.45 0.28 -1.26 -4.97 120.64 113.37 1i16 n GLU 23 Ca 0.31 -2.21 -0.23 0.00 -0.16 0.00 0.00 57.16 54.86 1i16 n GLU 23 Cb 0.42 -0.41 -0.03 0.00 1.43 0.00 0.00 31.44 32.85 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 -0.48 -2.34 0.00 -1.84 7.64 -1.26 -4.19 113.62 111.15 1i16 n SER 24 Ca -0.05 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1i16 n SER 24 Cb 0.89 -2.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1i16 n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i16 n THR 25 N -3.58 0.00 -3.64 0.44 -2.24 -1.26 -4.28 114.28 99.72 1i16 n THR 25 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1i16 n THR 25 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 s ALA 26 N -1.00 -1.77 -0.34 6.98 0.00 -1.26 -5.12 121.76 119.25 1i16 s ALA 26 Ca 0.00 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.15 1i16 s ALA 26 Cb 0.00 -1.27 0.19 0.00 0.00 0.00 0.00 23.12 22.04 1i16 s ALA 26 CO 0.00 -0.35 0.74 -1.21 0.00 0.00 0.00 175.76 174.94 1i16 s GLU 27 N 1.03 0.52 0.11 0.00 2.02 -1.26 -5.16 118.70 115.97 1i16 s GLU 27 Ca -0.05 0.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 1i16 s GLU 27 Cb -0.05 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.33 1i16 s GLU 27 CO -0.10 -0.85 0.28 0.00 0.02 0.00 0.00 175.26 174.61 1i16 s ALA 28 N 2.41 -0.44 0.14 5.21 0.00 -1.26 -2.98 121.76 124.84 1i16 s ALA 28 Ca 0.16 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1i16 s ALA 28 Cb -0.05 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1i16 s ALA 28 CO -0.18 -0.58 -0.19 0.95 0.00 0.00 0.00 175.76 175.76 1i16 s THR 29 N -3.86 1.74 0.14 0.00 -4.23 -1.19 -4.99 115.64 103.25 1i16 s THR 29 Ca 0.06 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 1i16 s THR 29 Cb 0.04 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1i16 s THR 29 CO -0.10 -0.22 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.83 1i16 s VAL 30 N -1.69 2.36 -0.41 2.29 1.01 -1.26 -1.13 120.40 121.58 1i16 s VAL 30 Ca 0.11 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.36 1i16 s VAL 30 Cb -0.07 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.39 1i16 s VAL 30 CO 0.05 0.06 0.28 0.00 0.00 0.00 0.00 175.10 175.50 1i16 s THR 32 N 0.42 2.62 0.06 0.00 2.01 -1.26 -3.41 115.64 116.07 1i16 s THR 32 Ca 0.25 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 1i16 s THR 32 Cb -0.11 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1i16 s THR 32 CO -0.09 0.02 0.04 0.68 -0.69 0.00 0.00 174.62 174.59 1i16 s VAL 33 N 1.51 0.19 -0.15 3.82 -7.23 0.11 -4.94 120.40 113.70 1i16 s VAL 33 Ca 0.72 -1.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1i16 s VAL 33 Cb -0.44 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1i16 s VAL 33 CO 0.32 -0.85 -0.05 0.42 -0.31 0.00 0.00 175.10 174.63 1i16 s THR 34 N -3.69 3.77 -0.77 5.32 -4.23 -1.26 0.27 115.64 115.05 1i16 s THR 34 Ca 0.04 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1i16 s THR 34 Cb 0.06 -2.64 0.31 0.00 1.34 0.00 0.00 72.50 71.57 1i16 s THR 34 CO -0.09 0.50 1.21 0.18 -0.54 0.00 0.00 174.62 175.88 1i16 n LEU 35 N 3.48 5.37 0.00 4.79 7.99 0.34 -4.83 117.00 134.15 1i16 n LEU 35 Ca -0.17 -5.51 0.00 0.00 -0.01 0.00 0.00 56.01 50.32 1i16 n LEU 35 Cb 0.53 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1i16 n LEU 35 CO 0.32 2.14 0.00 -0.62 -1.51 0.00 0.00 177.39 177.73 1i16 n GLU 36 N 0.19 0.00 -2.46 3.23 1.02 -1.26 -4.38 120.64 116.99 1i16 n GLU 36 Ca 0.35 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 1i16 n GLU 36 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.75 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 3.54 0.00 3.49 1.02 0.32 -4.32 119.74 123.79 1i16 s LYS 37 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1i16 s LYS 37 Cb 0.00 -5.41 0.00 0.00 -0.52 0.00 0.00 37.83 31.90 1i16 s LYS 37 CO 0.00 -2.59 0.00 0.00 -0.92 0.00 0.00 175.35 171.84 1i16 n MET 38 N 8.56 0.99 0.00 1.68 0.00 -1.26 -3.55 117.12 123.53 1i16 n MET 38 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.13 1i16 n MET 38 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 33.22 32.99 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 -1.44 0.00 -1.84 3.17 7.64 -1.26 -4.82 113.62 115.07 1i16 n SER 39 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1i16 n SER 39 Cb 0.21 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 40 N -3.00 4.80 0.00 -0.43 0.00 -1.26 -4.54 120.51 116.08 1i16 n ALA 40 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1i16 n ALA 40 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.17 0.04 1.89 0.00 0.00 -1.26 -4.77 105.19 100.92 1i16 n GLY 41 Ca 0.35 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1i16 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1i16 n LEU 42 N 0.00 0.00 -1.13 0.99 -0.00 -1.26 -0.04 117.00 115.56 1i16 n LEU 42 Ca 0.00 0.33 -0.07 0.00 -0.00 0.00 0.00 56.01 56.27 1i16 n LEU 42 Cb 0.00 -0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 42.63 1i16 n LEU 42 CO 0.00 0.00 -0.06 0.61 -0.00 0.00 0.00 177.39 177.94 1i16 n GLY 43 N -0.33 0.62 3.22 1.47 0.00 -1.26 -4.79 105.19 104.13 1i16 n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -1.51 -0.31 0.01 1.61 -0.12 0.94 0.28 117.98 118.88 1i16 s PHE 44 Ca 0.00 0.70 0.08 0.00 -0.05 0.00 0.00 56.93 57.66 1i16 s PHE 44 Cb 0.00 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1i16 s PHE 44 CO 0.00 -0.24 -0.26 0.45 -0.05 0.00 0.00 175.22 175.12 1i16 s SER 45 N -0.28 3.10 -0.02 1.98 0.15 -0.66 -4.94 113.70 113.03 1i16 s SER 45 Ca -0.04 -0.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 1i16 s SER 45 Cb -0.03 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1i16 s SER 45 CO 0.02 0.30 0.38 -0.76 1.20 0.00 0.00 173.24 174.37 1i16 s LEU 46 N -0.85 4.45 -0.01 3.45 1.02 -1.26 -1.66 118.68 123.81 1i16 s LEU 46 Ca 0.11 0.89 -0.00 0.00 0.02 0.00 0.00 54.13 55.14 1i16 s LEU 46 Cb -0.10 -2.52 0.02 0.00 0.02 0.00 0.00 46.19 43.61 1i16 s LEU 46 CO 0.00 0.32 0.03 -1.61 0.02 0.00 0.00 176.35 175.11 1i16 s GLU 47 N -0.97 -0.01 0.00 1.70 8.01 0.76 -4.80 118.70 123.38 1i16 s GLU 47 Ca 0.23 0.12 0.00 0.00 0.01 0.00 0.00 54.97 55.33 1i16 s GLU 47 Cb -0.16 -0.14 0.00 0.00 -4.31 0.00 0.00 34.13 29.52 1i16 s GLU 47 CO 0.12 -0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.70 1i16 n GLY 48 N 3.73 1.36 0.00 -1.39 0.00 -1.26 0.27 105.19 107.89 1i16 n GLY 48 Ca -0.21 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.17 3.50 -0.02 0.00 -1.26 -4.93 105.19 104.65 1i16 n GLY 49 Ca 0.00 0.24 -0.47 0.00 0.00 0.00 0.00 46.02 45.78 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 0.00 0.69 -2.67 1.61 -0.00 -1.26 -3.94 118.16 112.59 1i16 n LYS 50 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1i16 n LYS 50 Cb 0.00 -1.49 0.02 0.00 -0.00 0.00 0.00 35.03 33.56 1i16 n LYS 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1i16 s GLY 51 N -0.62 -1.78 -0.55 2.58 0.00 -1.26 -4.84 107.32 100.85 1i16 s GLY 51 Ca 0.65 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.61 1i16 s GLY 51 CO 0.57 4.44 1.69 1.44 0.00 0.00 0.00 173.10 181.24 1i16 n SER 52 N 3.14 6.57 -0.01 1.64 7.64 -1.26 -0.72 113.62 130.62 1i16 n SER 52 Ca 0.07 -3.78 -0.01 0.00 1.01 0.00 0.00 58.87 56.16 1i16 n SER 52 Cb 0.65 -0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.77 1.08 -0.20 -3.43 4.32 -1.26 -4.80 117.00 111.95 1i16 n LEU 53 Ca 0.54 -0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.54 1i16 n LEU 53 Cb 0.70 -0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.52 1i16 n LEU 53 CO 0.60 0.22 0.34 1.41 -1.22 0.00 0.00 177.39 178.73 1i16 n HIS 54 N -2.24 0.00 0.00 -1.77 8.25 -1.26 -5.05 115.22 113.14 1i16 n HIS 54 Ca -0.03 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1i16 n HIS 54 Cb 0.55 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i16 n GLY 55 N -0.30 -1.61 0.00 -1.41 0.00 -1.26 -5.17 105.19 95.44 1i16 n GLY 55 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1i16 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 56 N 0.00 0.00 -4.06 1.61 5.75 0.10 -4.74 116.55 115.21 1i16 n ASP 56 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 1i16 n ASP 56 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1i16 s LYS 57 N -1.65 2.65 -1.33 0.11 -2.85 -1.25 -4.39 119.74 111.03 1i16 s LYS 57 Ca 0.00 -2.78 -0.17 0.00 -1.00 0.00 0.00 55.97 52.02 1i16 s LYS 57 Cb 0.00 -3.71 0.03 0.00 -2.06 0.00 0.00 37.83 32.09 1i16 s LYS 57 CO 0.00 -1.20 1.99 -0.35 0.10 0.00 0.00 175.35 175.90 1i16 n PRO 58 N 3.05 2.83 -1.67 1.78 -0.04 -1.26 -4.63 135.00 135.06 1i16 n PRO 58 Ca 0.12 -2.82 -0.58 0.00 -0.04 0.00 0.00 63.50 60.17 1i16 n PRO 58 Cb 0.37 -3.37 -0.08 0.00 -0.04 0.00 0.00 33.50 30.38 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 7.60 1.73 -4.38 1.53 4.32 -1.26 -4.56 117.00 121.98 1i16 n LEU 59 Ca 0.50 1.12 -0.22 0.00 -0.02 0.00 0.00 56.01 57.39 1i16 n LEU 59 Cb 0.42 -1.08 -0.11 0.00 -1.62 0.00 0.00 43.42 41.04 1i16 n LEU 59 CO 0.84 -0.82 -0.47 0.42 -1.22 0.00 0.00 177.39 176.14 1i16 s THR 60 N 2.32 2.00 -0.12 -5.08 -4.23 0.76 -3.61 115.64 107.69 1i16 s THR 60 Ca 0.95 -2.13 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1i16 s THR 60 Cb -1.15 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1i16 s THR 60 CO 0.63 -0.40 1.38 -0.63 -0.54 0.00 0.00 174.62 175.07 1i16 s ILE 61 N -2.40 4.03 -0.12 2.99 1.01 -1.16 0.27 121.20 125.82 1i16 s ILE 61 Ca 0.22 1.27 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 1i16 s ILE 61 Cb -0.04 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1i16 s ILE 61 CO 0.09 -0.10 -0.17 0.59 0.00 0.00 0.00 174.94 175.35 1i16 n ASN 62 N 6.60 0.97 -4.31 3.58 4.13 -0.67 -0.30 115.26 125.26 1i16 n ASN 62 Ca 0.15 0.17 -0.46 0.00 1.68 0.00 0.00 54.58 56.11 1i16 n ASN 62 Cb 0.44 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 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 -2.26 3.32 -0.03 3.52 0.52 -1.24 -4.87 118.95 117.90 1i16 s ARG 63 Ca -0.18 -2.16 -0.06 0.00 -0.52 0.00 0.00 55.73 52.81 1i16 s ARG 63 Cb 0.07 -4.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 1i16 s ARG 63 CO 0.23 -1.30 0.22 0.42 0.02 0.00 0.00 175.30 174.88 1i16 s ILE 64 N 0.73 5.38 -0.10 1.52 1.01 -1.26 -1.65 121.20 126.83 1i16 s ILE 64 Ca 0.12 0.12 0.11 0.00 0.00 0.00 0.00 60.65 61.00 1i16 s ILE 64 Cb -0.18 -3.52 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 1i16 s ILE 64 CO -0.04 0.44 0.07 0.49 0.00 0.00 0.00 174.94 175.90 1i16 n PHE 65 N 1.35 0.00 -0.83 3.97 3.72 0.79 -4.94 117.46 121.51 1i16 n PHE 65 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1i16 n PHE 65 Cb 0.53 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.13 0.00 -1.08 4.81 -1.19 -5.04 118.16 112.16 1i16 n LYS 66 Ca -0.17 1.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1i16 n LYS 66 Cb 0.81 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.98 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i16 n GLY 67 N 0.38 -0.71 3.60 3.14 0.00 -1.26 -4.98 105.19 105.37 1i16 n GLY 67 Ca 0.00 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 3.37 0.07 4.61 0.00 -1.26 -4.96 121.76 123.59 1i16 s ALA 68 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1i16 s ALA 68 Cb 0.00 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1i16 s ALA 68 CO 0.00 -1.71 1.15 0.00 0.00 0.00 0.00 175.76 175.20 1i16 s ALA 69 N 3.60 -1.99 0.00 0.00 0.00 -1.26 -4.74 121.76 117.37 1i16 s ALA 69 Ca 0.39 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1i16 s ALA 69 Cb -0.11 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1i16 s ALA 69 CO 0.21 -1.08 0.00 0.45 0.00 0.00 0.00 175.76 175.34 1i16 n SER 70 N -0.80 0.00 0.16 0.00 2.88 -1.26 -5.00 113.62 109.59 1i16 n SER 70 Ca -0.04 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.63 1i16 n SER 70 Cb 0.61 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.46 1i16 n SER 70 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1i16 h GLU 71 N 0.00 0.00 -6.37 -1.46 4.11 -2.02 -3.46 114.58 105.38 1i16 h GLU 71 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1i16 h GLU 71 Cb 0.00 0.00 0.23 0.00 0.50 0.00 0.00 28.75 29.48 1i16 h GLU 71 CO 0.00 0.00 -1.35 1.04 0.07 0.00 0.00 179.01 178.77 1i16 n GLN 72 N -2.55 -0.24 -1.98 1.06 3.00 -1.26 -4.71 117.38 110.70 1i16 n GLN 72 Ca 0.04 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1i16 n GLN 72 Cb 0.41 -1.40 -0.01 0.00 0.00 0.00 0.00 30.24 29.23 1i16 n GLN 72 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1i16 n SER 73 N 1.16 4.03 -2.22 1.08 7.64 -1.26 -4.62 113.62 119.42 1i16 n SER 73 Ca 0.02 -2.84 -0.02 0.00 1.01 0.00 0.00 58.87 57.03 1i16 n SER 73 Cb 0.57 -1.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1i16 n SER 73 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i16 n GLU 74 N 7.15 -3.94 -0.41 1.43 -0.58 -1.26 -4.81 120.64 118.22 1i16 n GLU 74 Ca 0.50 3.00 0.02 0.00 -0.42 0.00 0.00 57.16 60.27 1i16 n GLU 74 Cb 0.42 -4.07 0.17 0.00 -0.57 0.00 0.00 31.44 27.39 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1i16 n THR 75 N 1.42 1.28 -4.21 2.62 -2.24 -1.26 -4.84 114.28 107.04 1i16 n THR 75 Ca -0.17 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 60.82 1i16 n THR 75 Cb 0.27 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.76 1.10 -0.11 2.28 -7.23 -1.26 -4.87 120.40 108.55 1i16 s VAL 76 Ca 0.24 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1i16 s VAL 76 Cb 0.19 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.63 1i16 s VAL 76 CO 0.07 -0.57 0.26 0.00 -0.31 0.00 0.00 175.10 174.55 1i16 s GLN 77 N -3.01 0.26 -0.38 4.82 0.00 -1.26 -5.11 119.66 114.98 1i16 s GLN 77 Ca 0.09 0.47 -0.29 0.00 -0.00 0.00 0.00 55.36 55.64 1i16 s GLN 77 Cb -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 33.01 33.01 1i16 s GLN 77 CO 0.01 -0.11 1.18 -1.25 0.00 0.00 0.00 175.29 175.12 1i16 s PRO 78 N 0.79 3.86 0.00 9.60 0.04 -1.26 -3.43 135.00 144.60 1i16 s PRO 78 Ca -0.05 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1i16 s PRO 78 Cb -0.07 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1i16 s PRO 78 CO -0.05 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1i16 n GLY 79 N 4.44 0.40 3.86 0.56 0.00 0.59 -5.00 105.19 110.05 1i16 n GLY 79 Ca 0.13 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1i16 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 80 N -2.97 6.46 -1.16 1.61 -1.08 -1.22 -4.80 116.67 113.50 1i16 s ASP 80 Ca 0.00 1.45 -0.07 0.00 -0.52 0.00 0.00 52.55 53.41 1i16 s ASP 80 Cb 0.00 -2.47 0.25 0.00 -1.46 0.00 0.00 42.92 39.24 1i16 s ASP 80 CO 0.00 -0.68 1.58 1.21 0.52 0.00 0.00 175.17 177.80 1i16 n GLU 81 N -2.02 4.00 -2.02 4.34 2.13 -1.24 -2.98 120.64 122.86 1i16 n GLU 81 Ca 0.06 -4.13 -0.42 0.00 0.66 0.00 0.00 57.16 53.32 1i16 n GLU 81 Cb 0.54 -2.70 -0.03 0.00 0.27 0.00 0.00 31.44 29.52 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 -1.18 3.46 0.05 6.31 1.01 -1.24 -3.58 121.20 126.03 1i16 s ILE 82 Ca 0.35 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.56 1i16 s ILE 82 Cb 0.04 -3.45 -0.31 0.00 0.01 0.00 0.00 42.46 38.76 1i16 s ILE 82 CO 0.04 -0.04 1.09 -0.07 0.00 0.00 0.00 174.94 175.96 1i16 h LEU 83 N 9.53 0.83 -8.43 2.97 3.38 -1.82 -3.43 115.31 118.34 1i16 h LEU 83 Ca -0.40 -0.80 -0.23 0.00 0.09 0.00 0.00 57.88 56.54 1i16 h LEU 83 Cb 1.18 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1i16 h LEU 83 CO 0.94 1.61 -0.10 0.00 0.09 0.00 0.00 178.44 180.98 1i16 s GLN 84 N -2.86 1.98 0.07 1.13 0.00 -1.26 0.16 119.66 118.87 1i16 s GLN 84 Ca -0.09 -1.70 0.01 0.00 -0.00 0.00 0.00 55.36 53.59 1i16 s GLN 84 Cb 0.05 0.48 -0.00 0.00 0.00 0.00 0.00 33.01 33.54 1i16 s GLN 84 CO 0.93 -0.84 0.04 -0.11 0.00 0.00 0.00 175.29 175.31 1i16 n LEU 85 N -0.56 0.00 0.28 2.60 7.94 0.67 -3.77 117.00 124.16 1i16 n LEU 85 Ca -0.01 -0.59 0.13 0.00 -1.11 0.00 0.00 56.01 54.43 1i16 n LEU 85 Cb 0.61 0.24 0.71 0.00 0.53 0.00 0.00 43.42 45.51 1i16 n LEU 85 CO 0.29 -0.09 1.03 1.23 -1.11 0.00 0.00 177.39 178.73 1i16 h GLY 86 N 0.34 0.00 -4.89 -3.96 0.00 -1.77 -3.17 103.07 89.61 1i16 h GLY 86 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1i16 h GLY 86 CO 0.08 0.00 -0.24 0.61 0.00 0.00 0.00 176.54 177.00 1i16 n GLY 87 N -1.23 1.11 3.64 4.60 0.00 -1.26 -4.88 105.19 107.17 1i16 n GLY 87 Ca -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.15 0.00 -0.19 2.61 -1.32 -1.20 -4.27 115.64 111.42 1i16 s THR 88 Ca 0.15 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1i16 s THR 88 Cb 0.34 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1i16 s THR 88 CO -0.09 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.29 1i16 s ALA 89 N 0.29 1.52 0.55 11.08 0.00 -1.26 0.24 121.76 134.17 1i16 s ALA 89 Ca 0.02 -0.94 0.34 0.00 0.00 0.00 0.00 51.96 51.38 1i16 s ALA 89 Cb -0.05 -1.21 1.51 0.00 0.00 0.00 0.00 23.12 23.36 1i16 s ALA 89 CO -0.04 -0.96 1.84 0.52 0.00 0.00 0.00 175.76 177.12 1i16 h MET 90 N 8.10 0.00 -7.22 0.00 2.86 0.12 -3.36 114.93 115.43 1i16 h MET 90 Ca -0.21 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.93 1i16 h MET 90 Cb 1.10 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.85 1i16 h MET 90 CO 0.39 0.00 0.37 -0.65 1.06 0.00 0.00 176.91 178.08 1i16 s GLN 91 N -4.92 2.95 -1.42 1.72 -1.52 -1.25 -3.02 119.66 112.19 1i16 s GLN 91 Ca -0.05 1.28 -0.16 0.00 -1.95 0.00 0.00 55.36 54.48 1i16 s GLN 91 Cb 0.22 -1.98 0.15 0.00 -0.22 0.00 0.00 33.01 31.18 1i16 s GLN 91 CO 0.76 -1.11 0.52 0.41 -0.25 0.00 0.00 175.29 175.62 1i16 n GLY 92 N -0.84 -0.44 3.31 3.09 0.00 -1.26 -4.88 105.19 104.17 1i16 n GLY 92 Ca 0.09 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.74 0.43 0.44 0.99 2.01 -1.17 -5.03 118.68 109.62 1i16 s LEU 93 Ca 0.60 0.71 -0.17 0.00 0.01 0.00 0.00 54.13 55.28 1i16 s LEU 93 Cb -0.34 1.46 -0.09 0.00 0.01 0.00 0.00 46.19 47.23 1i16 s LEU 93 CO 0.73 -0.21 0.90 0.42 1.01 0.00 0.00 176.35 179.20 1i16 s THR 94 N -0.09 4.55 0.15 5.49 -4.23 -1.26 -4.76 115.64 115.49 1i16 s THR 94 Ca -0.03 1.17 -0.28 0.00 -1.18 0.00 0.00 61.69 61.38 1i16 s THR 94 Cb -0.03 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1i16 s THR 94 CO 0.02 -0.45 1.57 -0.09 -0.54 0.00 0.00 174.62 175.12 1i16 h ARG 95 N 1.53 -0.31 0.44 3.99 1.12 -1.94 1.15 114.38 120.36 1i16 h ARG 95 Ca -0.48 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.39 1i16 h ARG 95 Cb 1.18 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1i16 h ARG 95 CO 0.62 -0.20 -0.21 0.74 -3.11 0.00 0.00 179.97 177.81 1i16 h PHE 96 N -0.32 -0.55 -0.93 2.20 0.04 -1.93 -2.28 116.94 113.17 1i16 h PHE 96 Ca 0.14 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.11 1i16 h PHE 96 Cb 0.58 0.18 -0.12 0.00 2.20 0.00 0.00 35.95 38.79 1i16 h PHE 96 CO -0.66 -0.24 0.48 0.93 -0.60 0.00 0.00 178.31 178.22 1i16 h GLU 97 N -0.85 0.49 0.29 1.51 4.39 -1.82 0.07 114.58 118.66 1i16 h GLU 97 Ca -0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1i16 h GLU 97 Cb 0.56 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1i16 h GLU 97 CO 0.10 0.32 -0.14 0.00 -1.16 0.00 0.00 179.01 178.13 1i16 h ALA 98 N 1.70 -1.08 0.00 3.43 0.00 0.16 -1.87 119.26 121.60 1i16 h ALA 98 Ca 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1i16 h ALA 98 Cb 1.07 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i16 h ALA 98 CO -0.49 -1.05 0.12 2.35 0.00 0.00 0.00 179.25 180.18 1i16 h TRP 99 N -0.40 0.00 0.08 0.00 -0.00 -1.03 -2.51 115.95 112.09 1i16 h TRP 99 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.72 1i16 h TRP 99 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1i16 h TRP 99 CO 0.16 0.00 -0.60 -0.91 -0.00 0.00 0.00 178.44 177.08 1i16 h ASN 100 N 0.00 0.25 -1.01 2.65 -0.26 -0.66 -3.32 115.58 113.24 1i16 h ASN 100 Ca 0.00 -0.93 0.22 0.00 -0.56 0.00 0.00 56.30 55.03 1i16 h ASN 100 Cb 0.23 -0.08 -0.11 0.00 -1.06 0.00 0.00 38.32 37.30 1i16 h ASN 100 CO 0.00 1.28 0.62 0.40 -1.06 0.00 0.00 177.43 178.66 1i16 h ILE 101 N -0.64 0.61 0.33 2.81 5.03 -0.88 -1.99 117.51 122.78 1i16 h ILE 101 Ca -0.12 -0.21 -0.01 0.00 -0.12 0.00 0.00 64.86 64.40 1i16 h ILE 101 Cb 1.39 -0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 1i16 h ILE 101 CO 0.06 0.11 -0.31 0.40 -0.68 0.00 0.00 178.15 177.73 1i16 h ILE 102 N 0.61 0.00 -1.49 -0.67 5.03 -1.65 -1.34 117.51 117.99 1i16 h ILE 102 Ca 0.60 0.00 0.46 0.00 -0.12 0.00 0.00 64.86 65.80 1i16 h ILE 102 Cb 1.15 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.84 1i16 h ILE 102 CO -0.38 0.00 1.02 0.11 -0.68 0.00 0.00 178.15 178.22 1i16 h LYS 103 N -0.64 0.06 0.00 2.37 1.79 -1.46 2.09 116.57 120.78 1i16 h LYS 103 Ca -0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1i16 h LYS 103 Cb 0.54 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1i16 h LYS 103 CO -0.02 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 1i16 h ALA 104 N 1.40 1.00 -2.09 3.86 0.00 -1.01 -3.45 119.26 118.97 1i16 h ALA 104 Ca 0.81 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 55.30 1i16 h ALA 104 Cb 2.86 0.00 0.18 0.00 0.00 0.00 0.00 17.79 20.83 1i16 h ALA 104 CO -0.24 0.00 0.20 -0.51 0.00 0.00 0.00 179.25 178.71 1i16 s LEU 105 N -4.70 1.25 0.90 0.00 1.02 0.71 -5.05 118.68 112.80 1i16 s LEU 105 Ca 0.06 0.65 -0.13 0.00 0.02 0.00 0.00 54.13 54.73 1i16 s LEU 105 Cb 0.10 -2.53 0.17 0.00 0.02 0.00 0.00 46.19 43.95 1i16 s LEU 105 CO 0.48 -3.65 1.25 -2.16 0.02 0.00 0.00 176.35 172.29 1i16 s PRO 106 N -5.43 1.01 -1.02 1.29 0.04 -1.26 -5.00 135.00 124.62 1i16 s PRO 106 Ca 0.70 -0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.20 1i16 s PRO 106 Cb -0.10 -1.93 0.22 0.00 0.04 0.00 0.00 34.50 32.73 1i16 s PRO 106 CO 0.55 -2.14 1.07 -0.51 0.04 0.00 0.00 177.00 176.02 1i16 s ASP 107 N -4.81 7.02 0.00 6.66 1.01 -1.26 -4.74 116.67 120.54 1i16 s ASP 107 Ca 0.71 -3.00 0.00 0.00 0.71 0.00 0.00 52.55 50.97 1i16 s ASP 107 Cb -0.05 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1i16 s ASP 107 CO 0.51 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.93 1i16 n GLY 108 N 3.74 5.02 3.55 0.21 0.00 -1.23 -4.73 105.19 111.75 1i16 n GLY 108 Ca 0.23 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 2.48 3.13 -0.40 1.61 0.04 -1.26 0.12 135.00 140.71 1i16 s PRO 109 Ca 0.00 -0.22 -0.23 0.00 0.04 0.00 0.00 61.00 60.60 1i16 s PRO 109 Cb 0.00 -4.40 0.02 0.00 0.04 0.00 0.00 34.50 30.16 1i16 s PRO 109 CO 0.00 -2.30 0.77 0.54 0.04 0.00 0.00 177.00 176.06 1i16 s VAL 110 N 6.34 4.71 -0.19 -0.36 0.11 -1.26 -4.81 120.40 124.93 1i16 s VAL 110 Ca 0.43 0.65 -0.21 0.00 -2.93 0.00 0.00 61.98 59.92 1i16 s VAL 110 Cb -0.08 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1i16 s VAL 110 CO 0.12 -0.55 0.65 -0.89 -3.33 0.00 0.00 175.10 171.10 1i16 s THR 111 N 3.15 5.01 0.18 5.04 2.01 -1.26 0.13 115.64 129.90 1i16 s THR 111 Ca 0.30 1.23 0.07 0.00 0.31 0.00 0.00 61.69 63.60 1i16 s THR 111 Cb -0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1i16 s THR 111 CO 0.19 0.10 -0.00 0.27 -0.69 0.00 0.00 174.62 174.50 1i16 s ILE 112 N 1.92 3.70 -0.45 1.82 -4.36 0.75 -2.69 121.20 121.90 1i16 s ILE 112 Ca 0.30 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 1i16 s ILE 112 Cb -0.16 -2.87 0.13 0.00 1.25 0.00 0.00 42.46 40.82 1i16 s ILE 112 CO 0.11 -0.13 0.23 -0.69 0.24 0.00 0.00 174.94 174.70 1i16 s VAL 113 N -1.76 1.62 -0.09 8.37 1.01 -1.25 0.04 120.40 128.34 1i16 s VAL 113 Ca 0.28 -2.64 -0.20 0.00 0.00 0.00 0.00 61.98 59.42 1i16 s VAL 113 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1i16 s VAL 113 CO 0.19 -0.86 0.57 0.27 0.00 0.00 0.00 175.10 175.26 1i16 s ILE 114 N 0.31 5.11 -0.24 2.22 -5.25 -1.22 -2.82 121.20 119.30 1i16 s ILE 114 Ca 0.17 1.15 0.02 0.00 -0.99 0.00 0.00 60.65 61.00 1i16 s ILE 114 Cb -0.24 -3.90 0.06 0.00 2.95 0.00 0.00 42.46 41.32 1i16 s ILE 114 CO -0.01 0.31 -0.11 -0.60 -1.79 0.00 0.00 174.94 172.75 1i16 s ARG 115 N 0.59 2.17 -0.49 0.37 3.52 -1.23 0.28 118.95 124.16 1i16 s ARG 115 Ca 0.30 -1.21 -0.17 0.00 -0.13 0.00 0.00 55.73 54.52 1i16 s ARG 115 Cb -0.16 -2.78 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1i16 s ARG 115 CO 0.14 -0.54 0.51 0.50 -0.81 0.00 0.00 175.30 175.10 1i16 s ARG 116 N 1.19 3.06 0.88 5.12 3.52 -0.28 -3.59 118.95 128.85 1i16 s ARG 116 Ca -0.07 -1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 54.32 1i16 s ARG 116 Cb -0.19 -4.11 0.12 0.00 -1.56 0.00 0.00 34.95 29.21 1i16 s ARG 116 CO -0.06 -1.12 1.09 0.15 -0.81 0.00 0.00 175.30 174.55 1i16 s LYS 117 N 2.16 1.35 0.13 5.12 1.02 -1.26 -3.19 119.74 125.07 1i16 s LYS 117 Ca 0.10 0.88 0.00 0.00 0.02 0.00 0.00 55.97 56.97 1i16 s LYS 117 Cb -0.21 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1i16 s LYS 117 CO 0.10 -2.20 0.00 -1.13 -0.92 0.00 0.00 175.35 171.20 1i16 n SER 118 N -3.86 -6.42 -4.52 2.83 3.41 -1.16 -4.67 113.62 99.23 1i16 n SER 118 Ca 0.07 0.88 -0.49 0.00 -0.26 0.00 0.00 58.87 59.07 1i16 n SER 118 Cb 0.55 -3.58 -0.06 0.00 -0.26 0.00 0.00 64.21 60.86 1i16 n SER 118 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i16 n LEU 119 N 1.21 2.58 -1.43 1.04 4.32 -1.26 -4.71 117.00 118.75 1i16 n LEU 119 Ca 0.00 0.47 -0.03 0.00 -0.02 0.00 0.00 56.01 56.43 1i16 n LEU 119 Cb 0.00 -1.34 -0.02 0.00 -1.62 0.00 0.00 43.42 40.45 1i16 n LEU 119 CO 0.00 -0.61 0.28 1.67 -1.22 0.00 0.00 177.39 177.51 1i16 n GLN 120 N 7.99 0.25 -0.70 3.23 7.27 -1.26 -4.91 117.38 129.25 1i16 n GLN 120 Ca 0.35 -1.44 -0.02 0.00 0.07 0.00 0.00 57.00 55.97 1i16 n GLN 120 Cb 0.28 0.24 0.23 0.00 2.41 0.00 0.00 30.24 33.40 1i16 n GLN 120 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1i16 n SER 121 N -0.07 4.07 -4.94 1.69 2.88 -1.26 -4.92 113.62 111.06 1i16 n SER 121 Ca -0.16 -2.80 -0.24 0.00 -1.33 0.00 0.00 58.87 54.35 1i16 n SER 121 Cb 0.85 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1i16 n SER 121 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1i16 s LYS 122 N -2.25 3.26 0.00 -1.46 1.02 -1.26 -5.00 119.74 114.05 1i16 s LYS 122 Ca 0.38 -0.36 0.22 0.00 0.02 0.00 0.00 55.97 56.23 1i16 s LYS 122 Cb 0.30 -2.57 0.27 0.00 -0.52 0.00 0.00 37.83 35.31 1i16 s LYS 122 CO 0.10 -0.12 1.26 0.39 -0.92 0.00 0.00 175.35 176.06 1i16 n GLU 123 N -2.00 2.21 -0.82 1.68 1.02 -1.26 -4.22 120.64 117.24 1i16 n GLU 123 Ca -0.01 -1.98 -0.04 0.00 -0.02 0.00 0.00 57.16 55.11 1i16 n GLU 123 Cb 0.57 -1.45 0.23 0.00 -0.02 0.00 0.00 31.44 30.78 1i16 n GLU 123 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i16 n THR 124 N 1.30 2.66 0.00 2.62 -2.24 -1.26 -4.99 114.28 112.37 1i16 n THR 124 Ca 0.15 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 1i16 n THR 124 Cb 0.56 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1i16 n THR 124 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1i16 n THR 125 N -0.78 0.00 -1.57 4.28 -1.04 -1.26 -4.86 114.28 109.05 1i16 n THR 125 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1i16 n THR 125 Cb 1.17 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 n ALA 126 N 0.83 -1.94 -0.94 2.41 0.00 -1.26 -4.85 120.51 114.75 1i16 n ALA 126 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1i16 n ALA 126 Cb 0.00 -1.41 0.23 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.73 0.36 -0.03 0.00 0.00 -1.26 -5.03 121.76 112.06 1i16 s ALA 127 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1i16 s ALA 127 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1i16 s ALA 127 CO 0.00 -3.58 -0.05 0.41 0.00 0.00 0.00 175.76 172.54 1i16 n GLY 128 N -0.46 -0.50 3.13 0.00 0.00 -1.26 -4.88 105.19 101.22 1i16 n GLY 128 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.26 5.33 0.00 1.61 2.15 -1.26 -5.01 116.67 115.22 1i16 s ASP 129 Ca -0.04 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 50.81 1i16 s ASP 129 Cb 0.01 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1i16 s ASP 129 CO 0.06 -0.54 0.30 -1.20 -0.17 0.00 0.00 175.17 173.62