#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 3.68 0.00 2.12 0.04 -1.26 -4.27 135.00 135.31 1i16 s PRO 2 Ca 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.41 1i16 s PRO 2 Cb 0.00 -5.45 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1i16 s PRO 2 CO 0.00 -2.48 0.00 -3.47 0.04 0.00 0.00 177.00 171.09 1i16 n ASP 3 N 9.39 0.00 0.00 6.66 -0.08 -1.26 -5.07 116.55 126.19 1i16 n ASP 3 Ca 0.44 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1i16 n ASP 3 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1i16 n ASP 3 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1i16 n LEU 4 N 0.00 0.00 -4.10 -2.67 4.77 -1.26 -5.01 117.00 108.73 1i16 n LEU 4 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1i16 n LEU 4 Cb 0.00 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1i16 n LEU 4 CO 0.00 -0.08 -0.12 -0.46 -1.33 0.00 0.00 177.39 175.40 1i16 n ASN 5 N -1.35 -1.88 0.00 -1.43 0.23 -1.26 -4.43 115.26 105.15 1i16 n ASN 5 Ca 0.00 -0.88 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 1i16 n ASN 5 Cb 0.00 -1.64 0.00 0.00 -2.08 0.00 0.00 39.78 36.06 1i16 n ASN 5 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1i16 n SER 6 N -2.29 -2.69 -2.65 0.53 2.88 -1.26 -4.84 113.62 103.30 1i16 n SER 6 Ca 0.09 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.59 1i16 n SER 6 Cb 0.47 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.81 -1.07 -3.48 -3.46 7.64 -1.26 -5.11 113.62 104.07 1i16 n SER 7 Ca 0.00 -1.53 -0.29 0.00 1.01 0.00 0.00 58.87 58.06 1i16 n SER 7 Cb 0.00 0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 1i16 n SER 7 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1i16 s THR 8 N 0.06 0.14 0.10 0.44 -4.23 -1.26 -5.11 115.64 105.79 1i16 s THR 8 Ca 0.25 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1i16 s THR 8 Cb 0.20 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1i16 s THR 8 CO -0.06 -0.96 0.00 0.47 -0.54 0.00 0.00 174.62 173.54 1i16 n ASP 9 N 4.19 -6.12 -0.09 3.99 8.00 -1.26 -4.03 116.55 121.23 1i16 n ASP 9 Ca 0.10 0.49 0.11 0.00 0.71 0.00 0.00 54.79 56.19 1i16 n ASP 9 Cb 0.38 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1i16 n ASP 9 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i16 n SER 10 N -3.54 1.05 0.00 -2.24 3.41 -1.26 -4.75 113.62 106.30 1i16 n SER 10 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1i16 n SER 10 Cb 0.21 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 11 N -1.23 2.75 -0.13 7.33 0.00 -1.26 -5.10 120.51 122.87 1i16 n ALA 11 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1i16 n ALA 11 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.13 1.33 -3.60 0.00 0.00 -1.26 -5.05 120.51 109.80 1i16 n ALA 12 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1i16 n ALA 12 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1i16 n ALA 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i16 s SER 13 N -1.87 -0.44 1.11 0.00 1.04 -1.26 -4.47 113.70 107.80 1i16 s SER 13 Ca 0.00 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 1i16 s SER 13 Cb 0.00 0.58 0.24 0.00 0.10 0.00 0.00 66.02 66.94 1i16 s SER 13 CO 0.00 -0.29 1.14 0.00 0.98 0.00 0.00 173.24 175.07 1i16 s ALA 14 N -0.56 1.02 -0.24 5.32 0.00 -1.26 -5.07 121.76 120.97 1i16 s ALA 14 Ca -0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1i16 s ALA 14 Cb -0.02 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.30 1i16 s ALA 14 CO -0.01 -3.17 0.46 -1.54 0.00 0.00 0.00 175.76 171.50 1i16 s SER 15 N -4.00 -0.38 -0.22 0.00 1.04 -1.26 -5.03 113.70 103.85 1i16 s SER 15 Ca 0.70 0.86 0.12 0.00 0.48 0.00 0.00 55.95 58.11 1i16 s SER 15 Cb -0.11 1.52 0.44 0.00 0.10 0.00 0.00 66.02 67.98 1i16 s SER 15 CO 0.55 -0.25 1.20 0.00 0.98 0.00 0.00 173.24 175.72 1i16 n ALA 16 N 5.40 3.91 -2.81 5.32 0.00 -1.26 -4.72 120.51 126.35 1i16 n ALA 16 Ca -0.07 -3.33 -0.02 0.00 0.00 0.00 0.00 53.44 50.03 1i16 n ALA 16 Cb 0.50 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.57 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N -0.76 2.73 -2.87 0.00 0.00 -1.26 -5.04 120.51 113.30 1i16 n ALA 17 Ca 0.25 -2.80 -0.44 0.00 0.00 0.00 0.00 53.44 50.46 1i16 n ALA 17 Cb 0.84 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 18 N -3.66 6.06 -0.20 0.00 0.01 -1.26 -5.03 113.70 109.62 1i16 s SER 18 Ca 0.27 -1.28 -0.29 0.00 1.31 0.00 0.00 55.95 55.96 1i16 s SER 18 Cb 0.35 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1i16 s SER 18 CO -0.03 -0.60 1.89 -0.62 0.41 0.00 0.00 173.24 174.30 1i16 s ASP 19 N 2.38 6.02 0.58 2.44 2.15 -1.26 -4.65 116.67 124.32 1i16 s ASP 19 Ca 0.04 1.81 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1i16 s ASP 19 Cb -0.23 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1i16 s ASP 19 CO 0.06 -1.52 0.00 1.33 -0.17 0.00 0.00 175.17 174.87 1i16 n VAL 20 N 6.87 -1.65 -1.29 1.11 0.24 -1.26 -4.94 118.33 117.41 1i16 n VAL 20 Ca 0.23 1.10 0.00 0.00 -2.04 0.00 0.00 64.34 63.63 1i16 n VAL 20 Cb 0.45 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1i16 n SER 21 N -3.60 0.00 -4.44 -1.34 2.88 -1.26 -4.98 113.62 100.88 1i16 n SER 21 Ca -0.05 -0.67 -0.39 0.00 -1.33 0.00 0.00 58.87 56.42 1i16 n SER 21 Cb 0.57 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1i16 n SER 21 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1i16 n VAL 22 N -1.14 1.84 -3.14 2.46 3.14 -1.26 -4.87 118.33 115.36 1i16 n VAL 22 Ca 0.00 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.43 1i16 n VAL 22 Cb 0.00 -0.57 -0.04 0.00 -1.06 0.00 0.00 33.84 32.17 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1i16 s GLU 23 N -1.81 3.23 -0.22 1.45 2.02 -1.26 -4.97 118.70 117.13 1i16 s GLU 23 Ca 0.66 -1.63 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 1i16 s GLU 23 Cb -0.49 -4.40 0.10 0.00 0.10 0.00 0.00 34.13 29.44 1i16 s GLU 23 CO 0.57 -1.51 0.22 -1.12 0.02 0.00 0.00 175.26 173.43 1i16 s SER 24 N 3.36 1.69 -0.75 -0.19 0.01 -1.26 -5.02 113.70 111.54 1i16 s SER 24 Ca 0.15 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1i16 s SER 24 Cb -0.19 0.29 0.39 0.00 0.21 0.00 0.00 66.02 66.72 1i16 s SER 24 CO 0.01 -0.35 1.95 0.41 0.41 0.00 0.00 173.24 175.67 1i16 n THR 25 N 5.31 3.51 -2.22 1.44 -1.04 -1.26 -4.92 114.28 115.10 1i16 n THR 25 Ca -0.05 -3.86 -0.32 0.00 -2.04 0.00 0.00 64.05 57.78 1i16 n THR 25 Cb 0.48 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.74 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 -3.95 2.10 -0.37 2.41 0.00 -1.26 -4.63 121.76 116.07 1i16 s ALA 26 Ca 0.56 -1.98 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1i16 s ALA 26 Cb 0.46 -4.59 0.57 0.00 0.00 0.00 0.00 23.12 19.56 1i16 s ALA 26 CO -0.25 -4.49 1.69 0.39 0.00 0.00 0.00 175.76 173.10 1i16 n GLU 27 N 8.68 2.50 -1.71 0.00 1.02 -1.26 -4.91 120.64 124.96 1i16 n GLU 27 Ca 0.41 -2.45 -0.61 0.00 -0.02 0.00 0.00 57.16 54.49 1i16 n GLU 27 Cb 0.48 -1.99 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N -0.52 -0.85 -3.27 0.62 0.00 -1.25 -4.28 120.51 110.96 1i16 n ALA 28 Ca 0.42 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 54.17 1i16 n ALA 28 Cb 1.35 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.63 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N 2.99 0.04 0.10 0.00 -4.23 -1.18 -4.95 115.64 108.42 1i16 s THR 29 Ca 1.00 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1i16 s THR 29 Cb -1.24 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1i16 s THR 29 CO 0.70 -0.20 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.80 1i16 s VAL 30 N -1.11 3.39 -0.46 2.29 1.01 -1.26 0.25 120.40 124.50 1i16 s VAL 30 Ca -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.63 1i16 s VAL 30 Cb -0.04 -2.59 0.16 0.00 0.00 0.00 0.00 36.38 33.91 1i16 s VAL 30 CO 0.04 0.11 0.33 0.00 0.00 0.00 0.00 175.10 175.58 1i16 s THR 32 N -0.02 3.98 0.12 0.00 2.01 -1.26 -3.41 115.64 117.05 1i16 s THR 32 Ca 0.26 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.43 1i16 s THR 32 Cb -0.07 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1i16 s THR 32 CO -0.13 -0.09 0.15 0.68 -0.69 0.00 0.00 174.62 174.54 1i16 s VAL 33 N 3.47 0.12 -0.09 3.82 -7.23 0.33 -4.95 120.40 115.87 1i16 s VAL 33 Ca 0.62 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1i16 s VAL 33 Cb -0.27 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1i16 s VAL 33 CO 0.21 -0.55 -0.15 0.42 -0.31 0.00 0.00 175.10 174.72 1i16 s THR 34 N -3.95 2.93 -0.77 5.32 -4.23 -1.26 0.28 115.64 113.97 1i16 s THR 34 Ca 0.14 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1i16 s THR 34 Cb 0.06 -2.18 0.30 0.00 1.34 0.00 0.00 72.50 72.02 1i16 s THR 34 CO -0.04 0.56 1.13 0.18 -0.54 0.00 0.00 174.62 175.91 1i16 n LEU 35 N 2.97 5.10 -0.26 4.79 7.99 0.53 -4.83 117.00 133.30 1i16 n LEU 35 Ca -0.18 -5.48 -0.03 0.00 -0.01 0.00 0.00 56.01 50.32 1i16 n LEU 35 Cb 0.52 -0.83 -0.01 0.00 -0.11 0.00 0.00 43.42 43.00 1i16 n LEU 35 CO 0.28 2.09 0.11 -1.84 -1.51 0.00 0.00 177.39 176.52 1i16 n GLU 36 N 0.42 0.00 -2.58 3.23 0.28 -1.25 -4.29 120.64 116.44 1i16 n GLU 36 Ca 0.33 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.90 1i16 n GLU 36 Cb 0.36 -0.09 -0.02 0.00 1.43 0.00 0.00 31.44 33.13 1i16 n GLU 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i16 s LYS 37 N 0.43 4.10 0.00 3.44 2.20 0.67 -4.69 119.74 125.89 1i16 s LYS 37 Ca 0.07 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1i16 s LYS 37 Cb -0.08 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1i16 s LYS 37 CO 0.03 -0.86 0.00 -0.12 -0.36 0.00 0.00 175.35 174.04 1i16 n MET 38 N 6.81 0.00 0.00 4.03 1.56 -1.26 -3.21 117.12 125.05 1i16 n MET 38 Ca 0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.56 1i16 n MET 38 Cb 0.47 -0.32 0.00 0.00 2.15 0.00 0.00 33.22 35.51 1i16 n MET 38 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1i16 n SER 39 N -1.40 0.00 -1.84 6.12 3.41 -1.26 -4.95 113.62 113.70 1i16 n SER 39 Ca 0.00 0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1i16 n SER 39 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 40 N -1.78 -0.52 0.00 7.33 0.00 -1.26 -5.00 120.51 119.28 1i16 n ALA 40 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1i16 n ALA 40 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.46 0.00 2.00 0.00 0.00 -1.26 -4.86 105.19 100.61 1i16 n GLY 41 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.41 0.99 4.77 -1.26 0.13 117.00 120.22 1i16 n LEU 42 Ca 0.00 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1i16 n LEU 42 Cb 0.00 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1i16 n LEU 42 CO 0.00 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.57 1i16 n GLY 43 N -0.36 0.80 3.35 -0.72 0.00 -1.26 -4.85 105.19 102.14 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 -1.92 -0.50 0.15 1.61 -0.12 0.35 0.09 117.98 117.64 1i16 s PHE 44 Ca 0.00 1.20 0.06 0.00 -0.05 0.00 0.00 56.93 58.15 1i16 s PHE 44 Cb 0.00 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1i16 s PHE 44 CO 0.00 -0.24 -0.14 0.45 -0.05 0.00 0.00 175.22 175.23 1i16 s SER 45 N 0.21 2.19 0.10 1.98 0.15 -1.12 -4.91 113.70 112.30 1i16 s SER 45 Ca -0.00 -0.88 -0.03 0.00 0.70 0.00 0.00 55.95 55.74 1i16 s SER 45 Cb -0.03 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1i16 s SER 45 CO 0.01 -0.15 0.06 -1.48 1.20 0.00 0.00 173.24 172.87 1i16 s LEU 46 N -2.72 1.95 0.05 3.45 2.34 -1.26 -2.10 118.68 120.39 1i16 s LEU 46 Ca 0.13 -1.04 -0.10 0.00 0.06 0.00 0.00 54.13 53.19 1i16 s LEU 46 Cb -0.03 0.42 0.01 0.00 -0.56 0.00 0.00 46.19 46.02 1i16 s LEU 46 CO 0.04 -0.69 0.21 -1.61 -1.06 0.00 0.00 176.35 173.24 1i16 s GLU 47 N -3.97 0.74 0.00 1.48 2.02 0.37 -4.82 118.70 114.51 1i16 s GLU 47 Ca 0.15 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1i16 s GLU 47 Cb 0.07 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1i16 s GLU 47 CO -0.04 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1i16 n GLY 48 N 0.54 -0.01 0.00 -1.39 0.00 -1.26 0.27 105.19 103.34 1i16 n GLY 48 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 0.13 1.56 -0.02 0.00 -1.26 -4.90 105.19 100.70 1i16 n GLY 49 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 1i16 n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i16 n LYS 50 N 0.00 0.00 -1.50 1.61 4.81 -1.26 -3.84 118.16 117.98 1i16 n LYS 50 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1i16 n LYS 50 Cb 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 35.03 34.27 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i16 n GLY 51 N 0.71 -0.47 3.16 3.14 0.00 -1.26 -4.72 105.19 105.74 1i16 n GLY 51 Ca 0.09 1.15 -0.25 0.00 0.00 0.00 0.00 46.02 47.01 1i16 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i16 s SER 52 N 9.01 2.11 0.96 1.61 0.01 -1.18 -4.97 113.70 121.26 1i16 s SER 52 Ca 1.35 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1i16 s SER 52 Cb -1.24 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1i16 s SER 52 CO 0.49 0.21 0.00 -0.11 0.41 0.00 0.00 173.24 174.23 1i16 n LEU 53 N 2.75 0.00 -1.59 2.44 0.00 -1.26 -2.10 117.00 117.24 1i16 n LEU 53 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.74 1i16 n LEU 53 Cb 0.54 0.00 0.09 0.00 0.00 0.00 0.00 43.42 44.05 1i16 n LEU 53 CO 0.24 -0.09 0.88 0.00 0.00 0.00 0.00 177.39 178.41 1i16 n HIS 54 N 0.00 1.49 -3.99 1.96 1.44 -1.26 -4.72 115.22 110.15 1i16 n HIS 54 Ca 0.00 -1.14 -0.31 0.00 -2.01 0.00 0.00 57.72 54.26 1i16 n HIS 54 Cb 0.00 -0.58 -0.15 0.00 0.12 0.00 0.00 29.99 29.38 1i16 n HIS 54 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1i16 s GLY 55 N -0.13 1.96 0.90 -1.39 0.00 -0.89 -5.11 107.32 102.66 1i16 s GLY 55 Ca 0.28 -2.60 -0.11 0.00 0.00 0.00 0.00 44.72 42.29 1i16 s GLY 55 CO 0.05 1.00 0.38 1.22 0.00 0.00 0.00 173.10 175.76 1i16 n ASP 56 N 4.09 -2.90 -4.12 1.64 9.92 -1.26 -3.10 116.55 120.82 1i16 n ASP 56 Ca 0.04 -0.39 -0.37 0.00 -0.53 0.00 0.00 54.79 53.54 1i16 n ASP 56 Cb 0.40 -0.69 -0.07 0.00 -0.64 0.00 0.00 41.12 40.13 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1i16 s LYS 57 N -3.31 3.19 -1.44 -1.24 0.00 -1.25 -4.66 119.74 111.04 1i16 s LYS 57 Ca 0.29 -3.10 -0.14 0.00 0.00 0.00 0.00 55.97 53.03 1i16 s LYS 57 Cb -0.05 -3.96 0.02 0.00 0.00 0.00 0.00 37.83 33.84 1i16 s LYS 57 CO 0.25 -1.25 2.28 -0.35 0.00 0.00 0.00 175.35 176.28 1i16 n PRO 58 N 2.64 2.85 -1.50 1.78 -0.04 -1.26 -4.68 135.00 134.80 1i16 n PRO 58 Ca 0.19 -2.51 -0.55 0.00 -0.04 0.00 0.00 63.50 60.58 1i16 n PRO 58 Cb 0.38 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 5.92 0.04 -4.24 1.53 4.32 -1.26 -4.61 117.00 118.70 1i16 n LEU 59 Ca 0.54 1.15 -0.19 0.00 -0.02 0.00 0.00 56.01 57.49 1i16 n LEU 59 Cb 0.37 -0.98 -0.11 0.00 -1.62 0.00 0.00 43.42 41.08 1i16 n LEU 59 CO 0.90 -2.00 -0.46 0.42 -1.22 0.00 0.00 177.39 175.04 1i16 s THR 60 N -0.19 1.37 0.29 -5.08 -4.23 0.78 -2.66 115.64 105.93 1i16 s THR 60 Ca 0.83 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1i16 s THR 60 Cb -1.13 -1.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.13 1i16 s THR 60 CO 0.55 -0.34 1.33 -0.63 -0.54 0.00 0.00 174.62 174.99 1i16 s ILE 61 N -1.89 2.80 -0.04 2.99 1.01 -1.10 0.14 121.20 125.10 1i16 s ILE 61 Ca 0.07 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1i16 s ILE 61 Cb -0.06 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1i16 s ILE 61 CO 0.03 0.16 -0.07 -0.46 0.00 0.00 0.00 174.94 174.60 1i16 n ASN 62 N 1.39 0.54 -4.03 3.58 0.23 -0.89 -0.55 115.26 115.53 1i16 n ASN 62 Ca 0.02 0.09 -0.33 0.00 -0.53 0.00 0.00 54.58 53.83 1i16 n ASN 62 Cb 0.42 -0.21 -0.13 0.00 -2.08 0.00 0.00 39.78 37.78 1i16 n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i16 s ARG 63 N -2.12 2.06 0.25 -3.83 1.70 -1.23 -4.87 118.95 110.91 1i16 s ARG 63 Ca -0.08 -2.34 -0.02 0.00 -0.47 0.00 0.00 55.73 52.83 1i16 s ARG 63 Cb 0.03 -3.46 -0.04 0.00 -0.57 0.00 0.00 34.95 30.91 1i16 s ARG 63 CO 0.10 -1.09 0.47 0.42 -1.08 0.00 0.00 175.30 174.11 1i16 s ILE 64 N 0.21 5.13 -0.32 4.99 1.01 -1.26 -2.80 121.20 128.16 1i16 s ILE 64 Ca 0.15 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1i16 s ILE 64 Cb -0.23 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.58 1i16 s ILE 64 CO -0.03 -0.29 0.05 -0.36 0.00 0.00 0.00 174.94 174.31 1i16 s PHE 65 N -2.01 3.10 -0.85 3.97 0.08 0.11 -4.97 117.98 117.41 1i16 s PHE 65 Ca 0.40 -2.54 -0.23 0.00 0.12 0.00 0.00 56.93 54.68 1i16 s PHE 65 Cb -0.11 -2.45 -0.21 0.00 -0.57 0.00 0.00 43.02 39.68 1i16 s PHE 65 CO 0.30 -0.91 2.43 1.17 -0.10 0.00 0.00 175.22 178.11 1i16 n LYS 66 N 4.45 0.32 0.00 0.44 3.00 -1.26 -4.41 118.16 120.70 1i16 n LYS 66 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1i16 n LYS 66 Cb 0.42 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.27 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 6.17 -1.82 0.00 3.14 0.00 -1.26 -5.17 105.19 106.25 1i16 n GLY 67 Ca 0.57 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.39 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 0.00 -1.28 4.61 0.00 -1.26 -4.77 120.51 117.81 1i16 n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -1.79 -2.66 0.00 0.00 -1.26 -4.99 120.51 109.81 1i16 n ALA 69 Ca 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 1i16 n ALA 69 Cb 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.42 -1.37 0.00 0.00 3.41 -1.26 -4.88 113.62 108.10 1i16 n SER 70 Ca 0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 1i16 n SER 70 Cb 0.13 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1i16 n SER 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1i16 n GLU 71 N -1.19 2.24 -0.56 4.33 2.13 -1.26 -4.92 120.64 121.41 1i16 n GLU 71 Ca -0.14 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.66 1i16 n GLU 71 Cb 0.83 -0.91 -0.02 0.00 0.27 0.00 0.00 31.44 31.61 1i16 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i16 n GLN 72 N -1.50 0.00 -0.58 5.31 10.64 -1.26 -5.15 117.38 124.84 1i16 n GLN 72 Ca 0.00 -0.25 0.08 0.00 -1.83 0.00 0.00 57.00 54.99 1i16 n GLN 72 Cb 0.22 0.41 -0.02 0.00 -0.86 0.00 0.00 30.24 29.99 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1i16 n SER 73 N 0.00 -3.44 -4.43 2.61 3.41 -1.26 -4.63 113.62 105.88 1i16 n SER 73 Ca -0.07 0.62 -0.39 0.00 -0.26 0.00 0.00 58.87 58.77 1i16 n SER 73 Cb 0.35 -2.04 -0.08 0.00 -0.26 0.00 0.00 64.21 62.17 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 -1.99 -0.77 -0.65 4.33 1.02 -1.26 -4.73 120.64 116.59 1i16 n GLU 74 Ca 0.00 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.19 1i16 n GLU 74 Cb 0.26 -4.34 0.15 0.00 -0.02 0.00 0.00 31.44 27.49 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 -4.09 2.05 -3.54 2.62 -2.24 -1.26 -4.86 114.28 102.96 1i16 n THR 75 Ca 0.02 -1.01 -0.13 0.00 -2.27 0.00 0.00 64.05 60.66 1i16 n THR 75 Cb 0.50 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.96 0.03 -0.05 2.28 -7.23 -1.26 -4.82 120.40 107.38 1i16 s VAL 76 Ca 0.33 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1i16 s VAL 76 Cb 0.27 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 36.20 1i16 s VAL 76 CO 0.07 -0.13 0.28 0.00 -0.31 0.00 0.00 175.10 175.01 1i16 s GLN 77 N -3.13 0.50 0.05 4.82 0.00 -1.26 -5.11 119.66 115.53 1i16 s GLN 77 Ca -0.02 0.04 -0.30 0.00 -0.00 0.00 0.00 55.36 55.09 1i16 s GLN 77 Cb -0.00 0.23 -0.04 0.00 0.00 0.00 0.00 33.01 33.19 1i16 s GLN 77 CO -0.07 -0.11 1.01 -1.25 0.00 0.00 0.00 175.29 174.86 1i16 s PRO 78 N -0.69 4.59 -0.25 9.60 0.04 -1.26 -3.34 135.00 143.69 1i16 s PRO 78 Ca -0.08 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1i16 s PRO 78 Cb -0.04 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1i16 s PRO 78 CO 0.02 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1i16 n GLY 79 N 2.70 0.34 3.75 0.56 0.00 0.29 -4.91 105.19 107.92 1i16 n GLY 79 Ca 0.05 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1i16 n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i16 s ASP 80 N -2.12 5.27 -1.22 1.61 -4.77 -1.21 -4.64 116.67 109.58 1i16 s ASP 80 Ca 0.00 2.69 -0.11 0.00 -3.30 0.00 0.00 52.55 51.83 1i16 s ASP 80 Cb 0.00 -2.63 0.19 0.00 -1.09 0.00 0.00 42.92 39.39 1i16 s ASP 80 CO 0.00 -1.56 1.59 1.21 0.70 0.00 0.00 175.17 177.10 1i16 n GLU 81 N -1.10 3.55 -2.36 2.11 0.00 -1.25 -2.72 120.64 118.86 1i16 n GLU 81 Ca 0.11 -3.81 -0.43 0.00 0.00 0.00 0.00 57.16 53.03 1i16 n GLU 81 Cb 0.46 -2.93 -0.02 0.00 0.00 0.00 0.00 31.44 28.94 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1i16 s ILE 82 N 0.66 4.15 -0.06 6.31 1.01 -1.09 -3.01 121.20 129.16 1i16 s ILE 82 Ca 0.40 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 62.18 1i16 s ILE 82 Cb 0.02 -3.96 -0.26 0.00 0.01 0.00 0.00 42.46 38.27 1i16 s ILE 82 CO 0.00 -0.20 0.95 -0.07 0.00 0.00 0.00 174.94 175.62 1i16 h LEU 83 N 10.13 0.31 -8.50 2.97 4.07 -1.71 -3.40 115.31 119.18 1i16 h LEU 83 Ca -0.28 -0.87 -0.45 0.00 0.08 0.00 0.00 57.88 56.36 1i16 h LEU 83 Cb 1.11 -0.10 -0.21 0.00 1.08 0.00 0.00 40.66 42.54 1i16 h LEU 83 CO 0.98 1.15 -0.79 0.00 -1.08 0.00 0.00 178.44 178.70 1i16 s GLN 84 N -2.76 0.92 -0.26 1.13 -2.07 -1.26 -0.80 119.66 114.56 1i16 s GLN 84 Ca -0.15 -1.04 -0.04 0.00 -1.82 0.00 0.00 55.36 52.31 1i16 s GLN 84 Cb 0.01 -0.98 0.01 0.00 -1.09 0.00 0.00 33.01 30.96 1i16 s GLN 84 CO 0.77 0.22 0.00 -0.51 -1.32 0.00 0.00 175.29 174.45 1i16 s LEU 85 N -1.86 3.44 -0.01 2.60 1.43 0.69 -3.95 118.68 121.02 1i16 s LEU 85 Ca 0.01 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1i16 s LEU 85 Cb -0.09 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 1i16 s LEU 85 CO 0.03 -0.14 0.03 0.61 0.23 0.00 0.00 176.35 177.11 1i16 n GLY 86 N 4.77 -0.00 0.00 -3.19 0.00 0.30 0.24 105.19 107.31 1i16 n GLY 86 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.10 1.15 3.61 -0.02 0.00 -1.26 -4.49 105.19 104.27 1i16 n GLY 87 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.82 0.00 -0.01 2.61 -1.32 0.66 -4.37 115.64 111.39 1i16 s THR 88 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1i16 s THR 88 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1i16 s THR 88 CO 0.00 0.00 -0.25 0.00 -2.21 0.00 0.00 174.62 172.16 1i16 s ALA 89 N -0.39 2.10 -0.14 11.08 0.00 -1.26 0.25 121.76 133.40 1i16 s ALA 89 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1i16 s ALA 89 Cb -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1i16 s ALA 89 CO -0.02 0.51 -0.08 1.98 0.00 0.00 0.00 175.76 178.15 1i16 h MET 90 N 5.41 0.00 -1.20 0.00 -1.53 -1.31 -3.36 114.93 112.94 1i16 h MET 90 Ca -0.43 0.00 0.35 0.00 -3.44 0.00 0.00 59.70 56.18 1i16 h MET 90 Cb 1.13 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.13 1i16 h MET 90 CO 0.47 0.15 1.06 1.04 0.14 0.00 0.00 176.91 179.76 1i16 n GLN 91 N -4.62 0.01 -2.27 0.39 1.13 -1.26 0.27 117.38 111.03 1i16 n GLN 91 Ca -0.09 0.84 -0.29 0.00 -1.94 0.00 0.00 57.00 55.52 1i16 n GLN 91 Cb 0.29 -2.00 0.01 0.00 0.11 0.00 0.00 30.24 28.65 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i16 n GLY 92 N -1.63 6.01 0.00 1.08 0.00 -1.26 -5.00 105.19 104.39 1i16 n GLY 92 Ca 0.27 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.55 0.00 -4.37 0.99 7.99 0.75 -4.95 117.00 116.85 1i16 n LEU 93 Ca 0.43 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.23 1i16 n LEU 93 Cb 0.66 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.87 1i16 n LEU 93 CO 0.39 0.00 -0.41 -0.89 -1.51 0.00 0.00 177.39 174.96 1i16 s THR 94 N -2.86 1.70 0.03 -5.08 2.01 -1.26 -4.83 115.64 105.35 1i16 s THR 94 Ca 0.00 -2.18 -0.12 0.00 0.31 0.00 0.00 61.69 59.69 1i16 s THR 94 Cb 0.00 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 1i16 s THR 94 CO 0.00 -0.49 1.19 -0.09 -0.69 0.00 0.00 174.62 174.54 1i16 h ARG 95 N 2.46 -0.33 -0.18 4.92 2.43 -1.93 0.52 114.38 122.26 1i16 h ARG 95 Ca -0.39 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1i16 h ARG 95 Cb 1.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1i16 h ARG 95 CO 0.64 -0.22 -0.06 0.74 -1.51 0.00 0.00 179.97 179.55 1i16 h PHE 96 N -0.35 -0.13 -0.80 2.20 0.04 -1.98 -1.32 116.94 114.60 1i16 h PHE 96 Ca -0.02 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.89 1i16 h PHE 96 Cb 0.30 0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.46 1i16 h PHE 96 CO -0.13 -0.10 0.42 0.93 -0.60 0.00 0.00 178.31 178.82 1i16 h GLU 97 N -0.02 0.63 0.02 1.51 4.39 -1.94 -1.28 114.58 117.89 1i16 h GLU 97 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1i16 h GLU 97 Cb 0.16 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1i16 h GLU 97 CO -0.20 0.42 -0.04 0.00 -1.16 0.00 0.00 179.01 178.02 1i16 h ALA 98 N 1.50 -0.66 0.00 3.43 0.00 0.12 0.07 119.26 123.72 1i16 h ALA 98 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1i16 h ALA 98 Cb 0.51 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1i16 h ALA 98 CO -0.31 -0.67 0.15 1.87 0.00 0.00 0.00 179.25 180.28 1i16 n TRP 99 N -2.62 0.49 -0.07 0.00 -0.00 -1.00 -1.92 117.44 112.31 1i16 n TRP 99 Ca -0.01 0.25 -0.16 0.00 -0.00 0.00 0.00 57.50 57.59 1i16 n TRP 99 Cb 0.03 -0.80 -0.13 0.00 -0.00 0.00 0.00 31.31 30.42 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 0.02 -0.80 5.87 2.35 0.16 -3.23 115.58 119.96 1i16 h ASN 100 Ca 0.00 -0.90 0.09 0.00 -0.55 0.00 0.00 56.30 54.94 1i16 h ASN 100 Cb 0.30 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 1i16 h ASN 100 CO 0.00 1.11 0.45 0.40 -1.65 0.00 0.00 177.43 177.74 1i16 h ILE 101 N -0.97 0.90 0.30 2.81 5.03 -0.45 -2.21 117.51 122.92 1i16 h ILE 101 Ca -0.07 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1i16 h ILE 101 Cb 1.09 0.08 -0.03 0.00 -3.03 0.00 0.00 36.82 34.93 1i16 h ILE 101 CO -0.03 0.14 -0.34 0.40 -0.68 0.00 0.00 178.15 177.63 1i16 h ILE 102 N 0.76 0.29 -1.40 -0.67 5.03 -1.67 -0.20 117.51 119.64 1i16 h ILE 102 Ca 0.38 0.00 0.45 0.00 -0.12 0.00 0.00 64.86 65.57 1i16 h ILE 102 Cb 0.35 0.29 -0.12 0.00 -3.03 0.00 0.00 36.82 34.31 1i16 h ILE 102 CO -0.25 0.00 0.92 0.11 -0.68 0.00 0.00 178.15 178.26 1i16 h LYS 103 N -0.69 0.07 -0.07 2.37 1.79 -1.41 2.29 116.57 120.92 1i16 h LYS 103 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1i16 h LYS 103 Cb 0.64 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1i16 h LYS 103 CO -0.09 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.33 1i16 n ALA 104 N -2.58 2.54 -1.50 3.86 0.00 -0.17 -4.94 120.51 117.72 1i16 n ALA 104 Ca 0.38 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1i16 n ALA 104 Cb 1.50 -1.09 0.19 0.00 0.00 0.00 0.00 19.45 20.05 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i16 s LEU 105 N -1.87 1.78 -0.19 0.00 -0.00 0.77 -4.99 118.68 114.18 1i16 s LEU 105 Ca 0.35 0.63 -0.26 0.00 -0.00 0.00 0.00 54.13 54.85 1i16 s LEU 105 Cb 0.20 -2.65 -0.01 0.00 -0.00 0.00 0.00 46.19 43.73 1i16 s LEU 105 CO 0.31 -3.16 0.89 -2.16 -0.00 0.00 0.00 176.35 172.23 1i16 s PRO 106 N -5.52 4.28 -0.84 1.48 0.04 -1.26 -4.92 135.00 128.26 1i16 s PRO 106 Ca 0.70 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1i16 s PRO 106 Cb -0.10 -3.60 -0.23 0.00 0.04 0.00 0.00 34.50 30.61 1i16 s PRO 106 CO 0.54 -0.42 2.14 -0.25 0.04 0.00 0.00 177.00 179.05 1i16 n ASP 107 N 5.57 -0.22 0.00 6.66 9.92 -1.26 -4.67 116.55 132.55 1i16 n ASP 107 Ca 0.07 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 1i16 n ASP 107 Cb 0.48 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1i16 n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i16 n GLY 108 N 5.91 4.28 3.55 0.44 0.00 -1.20 -4.81 105.19 113.37 1i16 n GLY 108 Ca 0.53 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 1.88 3.13 -0.41 1.61 0.04 -1.26 -0.24 135.00 139.75 1i16 s PRO 109 Ca 0.00 -0.36 -0.24 0.00 0.04 0.00 0.00 61.00 60.44 1i16 s PRO 109 Cb 0.00 -4.68 0.02 0.00 0.04 0.00 0.00 34.50 29.87 1i16 s PRO 109 CO 0.00 -2.43 0.82 0.54 0.04 0.00 0.00 177.00 175.97 1i16 s VAL 110 N 6.66 4.65 0.00 -0.36 0.11 -1.26 -4.85 120.40 125.34 1i16 s VAL 110 Ca 0.48 0.70 -0.21 0.00 -2.93 0.00 0.00 61.98 60.02 1i16 s VAL 110 Cb -0.06 -4.30 -0.05 0.00 -1.53 0.00 0.00 36.38 30.44 1i16 s VAL 110 CO 0.06 -0.62 0.63 0.28 -3.33 0.00 0.00 175.10 172.12 1i16 s THR 111 N 3.31 4.87 0.18 5.04 -1.32 -1.26 0.20 115.64 126.66 1i16 s THR 111 Ca 0.32 1.32 0.11 0.00 -1.21 0.00 0.00 61.69 62.23 1i16 s THR 111 Cb -0.12 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.86 1i16 s THR 111 CO 0.21 0.41 -0.21 0.27 -2.21 0.00 0.00 174.62 173.08 1i16 s ILE 112 N -0.16 2.52 -0.30 5.08 -4.36 0.81 0.11 121.20 124.91 1i16 s ILE 112 Ca 0.32 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1i16 s ILE 112 Cb -0.19 -2.21 0.10 0.00 1.25 0.00 0.00 42.46 41.41 1i16 s ILE 112 CO 0.18 -0.09 0.13 -0.69 0.24 0.00 0.00 174.94 174.71 1i16 s VAL 113 N -1.62 0.04 0.04 8.37 1.01 -1.25 -0.51 120.40 126.47 1i16 s VAL 113 Ca 0.21 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1i16 s VAL 113 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1i16 s VAL 113 CO 0.11 -0.74 -0.04 0.27 0.00 0.00 0.00 175.10 174.70 1i16 s ILE 114 N 1.99 3.82 -0.16 2.22 -5.25 -1.22 -2.18 121.20 120.41 1i16 s ILE 114 Ca 0.10 -0.88 -0.01 0.00 -0.99 0.00 0.00 60.65 58.87 1i16 s ILE 114 Cb -0.17 -2.74 0.04 0.00 2.95 0.00 0.00 42.46 42.55 1i16 s ILE 114 CO -0.34 0.26 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.45 1i16 s ARG 115 N -1.84 1.22 -1.05 0.37 3.52 -1.17 0.86 118.95 120.86 1i16 s ARG 115 Ca 0.21 -0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 1i16 s ARG 115 Cb -0.11 -1.93 0.16 0.00 -1.56 0.00 0.00 34.95 31.50 1i16 s ARG 115 CO 0.12 -0.46 1.25 0.50 -0.81 0.00 0.00 175.30 175.90 1i16 s ARG 116 N 1.70 3.84 -0.91 5.12 3.52 0.14 -3.89 118.95 128.46 1i16 s ARG 116 Ca 0.01 -2.20 -0.24 0.00 -0.13 0.00 0.00 55.73 53.17 1i16 s ARG 116 Cb -0.15 -4.95 -0.02 0.00 -1.56 0.00 0.00 34.95 28.26 1i16 s ARG 116 CO -0.07 -1.74 1.83 0.21 -0.81 0.00 0.00 175.30 174.72 1i16 s LYS 117 N 1.98 2.78 2.57 5.12 2.20 -1.26 -3.13 119.74 130.01 1i16 s LYS 117 Ca 0.36 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1i16 s LYS 117 Cb -0.04 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.19 1i16 s LYS 117 CO -0.05 -3.09 0.00 0.45 -0.36 0.00 0.00 175.35 172.29 1i16 n SER 118 N 12.81 -3.90 -2.22 1.43 2.88 -1.26 -4.85 113.62 118.51 1i16 n SER 118 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1i16 n SER 118 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1i16 n SER 118 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i16 n LEU 119 N 0.00 -6.36 -0.80 2.46 4.32 -1.26 -4.90 117.00 110.47 1i16 n LEU 119 Ca 0.00 2.95 0.08 0.00 -0.02 0.00 0.00 56.01 59.02 1i16 n LEU 119 Cb 0.00 -3.18 0.14 0.00 -1.62 0.00 0.00 43.42 38.77 1i16 n LEU 119 CO 0.00 -2.45 0.60 0.00 -1.22 0.00 0.00 177.39 174.31 1i16 n GLN 120 N 1.82 2.02 -1.26 3.23 6.02 -1.26 -5.06 117.38 122.90 1i16 n GLN 120 Ca 0.00 -1.88 0.17 0.00 -0.01 0.00 0.00 57.00 55.28 1i16 n GLN 120 Cb 0.00 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1i16 n SER 121 N 0.96 -7.41 -3.27 1.08 7.64 -1.26 -4.87 113.62 106.50 1i16 n SER 121 Ca 0.13 0.56 -0.06 0.00 1.01 0.00 0.00 58.87 60.52 1i16 n SER 121 Cb 0.46 -3.91 -0.04 0.00 -1.01 0.00 0.00 64.21 59.71 1i16 n SER 121 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1i16 s LYS 122 N -2.26 0.69 1.85 1.43 -0.14 -1.26 -5.13 119.74 114.92 1i16 s LYS 122 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 1i16 s LYS 122 Cb 0.00 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 35.94 1i16 s LYS 122 CO 0.00 -1.16 0.00 -1.91 -0.76 0.00 0.00 175.35 171.52 1i16 n GLU 123 N 4.57 0.00 0.00 1.68 2.13 -1.26 -4.88 120.64 122.88 1i16 n GLU 123 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1i16 n GLU 123 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1i16 n GLU 123 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1i16 n THR 124 N -1.26 0.00 -2.43 6.31 -1.04 -1.26 -5.11 114.28 109.49 1i16 n THR 124 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1i16 n THR 124 Cb 0.00 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1i16 n THR 124 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1i16 n THR 125 N -2.22 -9.30 -1.39 12.58 -1.04 -1.26 -4.85 114.28 106.81 1i16 n THR 125 Ca 0.00 1.19 0.17 0.00 -2.04 0.00 0.00 64.05 63.37 1i16 n THR 125 Cb 0.00 -6.26 -0.07 0.00 -1.82 0.00 0.00 70.33 62.17 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 0.29 -3.66 -2.60 2.41 0.00 -1.26 -4.68 120.51 111.02 1i16 n ALA 126 Ca 0.02 0.75 -0.40 0.00 0.00 0.00 0.00 53.44 53.82 1i16 n ALA 126 Cb 0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 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 -3.78 3.55 0.68 0.00 0.00 -1.26 -5.05 121.76 115.91 1i16 s ALA 127 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 1i16 s ALA 127 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1i16 s ALA 127 CO 0.00 -0.82 1.21 0.20 0.00 0.00 0.00 175.76 176.34 1i16 s GLY 128 N 1.64 2.47 0.07 0.00 0.00 -1.26 -4.61 107.32 105.63 1i16 s GLY 128 Ca 0.18 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1i16 s GLY 128 CO 0.10 1.31 0.00 1.34 0.00 0.00 0.00 173.10 175.85 1i16 n ASP 129 N -2.35 -6.90 0.00 1.64 2.03 -1.26 -5.18 116.55 104.53 1i16 n ASP 129 Ca 0.13 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.54 1i16 n ASP 129 Cb 0.50 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74