#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k70 s SER 2 N 0.00 1.59 0.67 1.61 0.01 -1.26 -4.89 113.70 111.43 2k70 s SER 2 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2k70 s SER 2 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2k70 s SER 2 CO 0.00 0.14 0.00 0.49 0.41 0.00 0.00 173.24 174.28 2k70 n PHE 3 N 2.97 0.00 0.00 2.43 3.01 -1.26 -4.89 117.46 119.72 2k70 n PHE 3 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2k70 n PHE 3 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 2k70 n PHE 3 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2k70 n THR 4 N 0.00 0.00 -1.84 4.37 -1.04 -1.26 -4.76 114.28 109.75 2k70 n THR 4 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2k70 n THR 4 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k70 n THR 4 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k70 n GLU 5 N 0.00 2.96 -3.86 -2.82 2.13 -1.26 -4.89 120.64 112.90 2k70 n GLU 5 Ca 0.00 -2.74 -0.11 0.00 0.66 0.00 0.00 57.16 54.97 2k70 n GLU 5 Cb 0.00 -3.25 0.01 0.00 0.27 0.00 0.00 31.44 28.47 2k70 n GLU 5 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k70 n GLY 6 N 3.98 1.28 3.20 8.31 0.00 -1.26 -0.74 105.19 119.96 2k70 n GLY 6 Ca 0.50 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2k70 n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k70 s TRP 7 N -2.33 0.78 -0.12 1.61 -2.14 -0.22 -4.38 118.94 112.13 2k70 s TRP 7 Ca 0.20 -1.14 -0.04 0.00 2.66 0.00 0.00 56.10 57.78 2k70 s TRP 7 Cb -0.04 -0.38 -0.03 0.00 -3.10 0.00 0.00 33.47 29.91 2k70 s TRP 7 CO 0.15 -0.58 0.02 0.08 -2.66 0.00 0.00 176.95 173.95 2k70 s VAL 8 N -4.04 4.42 -0.34 -0.66 1.01 0.22 -2.29 120.40 118.71 2k70 s VAL 8 Ca 0.24 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2k70 s VAL 8 Cb 0.06 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2k70 s VAL 8 CO 0.02 0.55 1.25 -0.60 0.00 0.00 0.00 175.10 176.33 2k70 s ARG 9 N -0.34 3.87 0.30 2.72 3.52 -0.57 -1.84 118.95 126.60 2k70 s ARG 9 Ca 0.07 1.08 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 2k70 s ARG 9 Cb -0.12 -3.88 -0.11 0.00 -1.56 0.00 0.00 34.95 29.28 2k70 s ARG 9 CO 0.02 -1.18 1.56 0.12 -0.81 0.00 0.00 175.30 175.01 2k70 s PHE 10 N 4.40 2.78 -0.27 5.12 2.19 0.20 -4.38 117.98 128.02 2k70 s PHE 10 Ca 0.54 0.87 -0.25 0.00 0.33 0.00 0.00 56.93 58.42 2k70 s PHE 10 Cb -0.14 -4.02 0.07 0.00 -1.31 0.00 0.00 43.02 37.62 2k70 s PHE 10 CO 0.24 -3.37 0.74 -1.12 1.83 0.00 0.00 175.22 173.55 2k70 s SER 11 N 0.39 -0.73 -0.21 6.13 0.01 -1.26 -4.50 113.70 113.53 2k70 s SER 11 Ca 0.61 1.41 -0.04 0.00 1.31 0.00 0.00 55.95 59.24 2k70 s SER 11 Cb -0.47 1.43 -0.07 0.00 0.21 0.00 0.00 66.02 67.12 2k70 s SER 11 CO 0.49 -0.24 3.01 -0.81 0.41 0.00 0.00 173.24 176.10 2k70 n PRO 12 N 2.68 2.06 -3.46 12.44 -0.04 -1.26 -4.84 135.00 142.57 2k70 n PRO 12 Ca -0.14 -1.50 -0.17 0.00 -0.04 0.00 0.00 63.50 61.65 2k70 n PRO 12 Cb 0.55 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2k70 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 13 N 1.58 3.75 0.19 0.55 0.00 -1.26 -5.05 105.19 104.95 2k70 n GLY 13 Ca 0.41 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 44.36 2k70 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k70 h PRO 14 N 0.00 0.00 -5.67 1.61 0.13 -1.98 -3.46 132.00 122.63 2k70 h PRO 14 Ca -0.22 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.33 2k70 h PRO 14 Cb 0.71 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.71 2k70 h PRO 14 CO 0.36 0.00 -0.64 0.54 -0.23 0.00 0.00 178.00 178.02 2k70 s ASN 15 N -5.19 3.42 0.22 1.44 2.20 -1.26 -3.96 114.94 111.81 2k70 s ASN 15 Ca 0.06 -1.28 -0.01 0.00 -0.94 0.00 0.00 52.86 50.69 2k70 s ASN 15 Cb 0.09 -0.30 0.00 0.00 -2.00 0.00 0.00 41.25 39.05 2k70 s ASN 15 CO 0.55 -0.37 0.30 0.00 -2.94 0.00 0.00 177.10 174.64 2k70 n ALA 16 N -0.80 -0.19 -2.92 3.54 0.00 0.19 -4.76 120.51 115.56 2k70 n ALA 16 Ca -0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 53.44 52.27 2k70 n ALA 16 Cb 0.65 0.83 -0.11 0.00 0.00 0.00 0.00 19.45 20.82 2k70 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k70 s ALA 17 N -2.35 0.13 -0.02 0.00 0.00 -1.26 -0.50 121.76 117.75 2k70 s ALA 17 Ca 0.19 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2k70 s ALA 17 Cb -0.01 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 2k70 s ALA 17 CO 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 175.76 175.61 2k70 s ALA 18 N -1.63 0.93 -0.05 0.00 0.00 0.29 -1.51 121.76 119.80 2k70 s ALA 18 Ca -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2k70 s ALA 18 Cb -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2k70 s ALA 18 CO -0.02 0.20 -0.13 0.71 0.00 0.00 0.00 175.76 176.53 2k70 s TYR 19 N -0.10 1.37 -0.09 0.00 2.02 -0.97 -1.71 117.35 117.88 2k70 s TYR 19 Ca 0.01 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 2k70 s TYR 19 Cb -0.06 -0.97 0.10 0.00 -0.40 0.00 0.00 41.96 40.64 2k70 s TYR 19 CO -0.00 -0.18 0.87 -0.48 -1.57 0.00 0.00 175.55 174.19 2k70 s LEU 20 N 0.32 -0.46 -0.17 -1.29 0.05 0.09 -1.05 118.68 116.16 2k70 s LEU 20 Ca -0.07 0.41 -0.29 0.00 0.05 0.00 0.00 54.13 54.22 2k70 s LEU 20 Cb -0.12 2.11 -0.01 0.00 -2.05 0.00 0.00 46.19 46.12 2k70 s LEU 20 CO 0.02 -0.49 1.16 -0.89 -0.55 0.00 0.00 176.35 175.60 2k70 s THR 21 N -1.58 4.45 -0.26 5.48 2.01 0.08 -0.37 115.64 125.45 2k70 s THR 21 Ca -0.03 1.75 -0.28 0.00 0.31 0.00 0.00 61.69 63.44 2k70 s THR 21 Cb -0.00 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.39 2k70 s THR 21 CO 0.02 -0.13 1.00 -0.22 -0.69 0.00 0.00 174.62 174.60 2k70 s LEU 22 N 3.18 4.06 -0.17 4.42 1.98 -0.38 -4.68 118.68 127.09 2k70 s LEU 22 Ca 0.51 1.21 -0.03 0.00 -2.89 0.00 0.00 54.13 52.93 2k70 s LEU 22 Cb -0.19 -3.46 -0.02 0.00 0.66 0.00 0.00 46.19 43.18 2k70 s LEU 22 CO 0.12 -0.69 -0.07 -1.61 -1.89 0.00 0.00 176.35 172.21 2k70 s GLU 23 N 3.24 3.50 -0.54 1.98 2.02 -1.26 -1.00 118.70 126.64 2k70 s GLU 23 Ca 0.42 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 2k70 s GLU 23 Cb -0.14 -2.86 0.13 0.00 0.10 0.00 0.00 34.13 31.36 2k70 s GLU 23 CO 0.09 0.10 0.45 1.21 0.02 0.00 0.00 175.26 177.13 2k70 s ASN 24 N 0.70 5.98 0.00 -0.19 2.47 -0.27 -4.94 114.94 118.69 2k70 s ASN 24 Ca -0.03 -1.97 0.26 0.00 0.42 0.00 0.00 52.86 51.53 2k70 s ASN 24 Cb -0.15 -2.11 1.22 0.00 -1.45 0.00 0.00 41.25 38.77 2k70 s ASN 24 CO 0.02 -0.74 1.85 -0.81 -3.72 0.00 0.00 177.10 173.70 2k70 n PRO 25 N 4.90 0.23 -2.01 0.43 -0.04 -1.26 -1.17 135.00 136.09 2k70 n PRO 25 Ca -0.08 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.15 2k70 n PRO 25 Cb 0.41 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.48 2k70 n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k70 s GLY 26 N -2.73 1.67 0.00 0.55 0.00 -1.26 -4.74 107.32 100.81 2k70 s GLY 26 Ca 0.20 -0.90 0.18 0.00 0.00 0.00 0.00 44.72 44.20 2k70 s GLY 26 CO 0.42 -0.35 0.94 1.22 0.00 0.00 0.00 173.10 175.33 2k70 n ASP 27 N -3.32 1.80 -4.59 1.64 9.92 -1.26 -2.59 116.55 118.16 2k70 n ASP 27 Ca 0.10 -1.40 -0.24 0.00 -0.53 0.00 0.00 54.79 52.72 2k70 n ASP 27 Cb 0.60 0.45 -0.09 0.00 -0.64 0.00 0.00 41.12 41.45 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k70 s LEU 28 N -2.16 2.92 0.32 0.64 2.34 -1.26 -4.81 118.68 116.67 2k70 s LEU 28 Ca 0.15 -0.93 -0.27 0.00 0.06 0.00 0.00 54.13 53.14 2k70 s LEU 28 Cb 0.15 -1.36 -0.09 0.00 -0.56 0.00 0.00 46.19 44.33 2k70 s LEU 28 CO 0.45 -0.11 1.04 -2.16 -1.06 0.00 0.00 176.35 174.52 2k70 s PRO 29 N -3.65 4.50 0.22 1.48 0.04 -1.26 -3.93 135.00 132.40 2k70 s PRO 29 Ca 0.33 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2k70 s PRO 29 Cb -0.03 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 2k70 s PRO 29 CO 0.18 0.14 0.18 -0.51 0.04 0.00 0.00 177.00 177.03 2k70 s LEU 30 N -1.89 3.82 -0.25 -3.56 2.01 0.07 -4.97 118.68 113.91 2k70 s LEU 30 Ca 0.49 -0.20 -0.02 0.00 0.01 0.00 0.00 54.13 54.41 2k70 s LEU 30 Cb -0.26 -2.38 0.13 0.00 0.01 0.00 0.00 46.19 43.68 2k70 s LEU 30 CO 0.33 0.00 0.33 -0.60 1.01 0.00 0.00 176.35 177.43 2k70 s ARG 31 N -3.56 0.32 -0.45 1.70 3.52 -1.26 -0.49 118.95 118.73 2k70 s ARG 31 Ca 0.32 0.32 -0.22 0.00 -0.13 0.00 0.00 55.73 56.02 2k70 s ARG 31 Cb -0.09 -0.65 0.03 0.00 -1.56 0.00 0.00 34.95 32.68 2k70 s ARG 31 CO 0.24 -0.75 0.71 -1.17 -0.81 0.00 0.00 175.30 173.53 2k70 s LEU 32 N 2.47 4.41 -0.02 -0.88 2.96 0.68 -1.22 118.68 127.09 2k70 s LEU 32 Ca 0.11 -0.28 0.14 0.00 -0.22 0.00 0.00 54.13 53.88 2k70 s LEU 32 Cb -0.15 -2.81 -0.21 0.00 0.50 0.00 0.00 46.19 43.52 2k70 s LEU 32 CO -0.19 -0.86 0.38 1.33 -1.32 0.00 0.00 176.35 175.69 2k70 n VAL 33 N 5.97 0.00 -3.51 1.68 0.24 0.44 -0.97 118.33 122.18 2k70 n VAL 33 Ca -0.00 -0.29 -0.05 0.00 -2.04 0.00 0.00 64.34 61.95 2k70 n VAL 33 Cb 0.48 0.36 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 2k70 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k70 n GLY 34 N 1.60 1.65 2.41 7.63 0.00 -0.86 -4.78 105.19 112.85 2k70 n GLY 34 Ca -0.01 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2k70 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k70 n ALA 35 N -1.68 -0.17 -3.65 4.61 0.00 -1.26 -1.47 120.51 116.89 2k70 n ALA 35 Ca -0.09 -1.19 -0.09 0.00 0.00 0.00 0.00 53.44 52.07 2k70 n ALA 35 Cb 0.32 0.96 -0.00 0.00 0.00 0.00 0.00 19.45 20.73 2k70 n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k70 s ARG 36 N -2.61 2.03 -0.06 0.00 3.00 0.56 -4.80 118.95 117.07 2k70 s ARG 36 Ca 0.22 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.73 53.29 2k70 s ARG 36 Cb -0.00 0.59 0.11 0.00 0.00 0.00 0.00 34.95 35.64 2k70 s ARG 36 CO 0.15 -0.92 0.96 -0.08 0.00 0.00 0.00 175.30 175.41 2k70 s THR 37 N -2.94 0.00 -1.03 4.11 -1.32 -1.26 -0.79 115.64 112.40 2k70 s THR 37 Ca 0.17 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.69 2k70 s THR 37 Cb -0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 2k70 s THR 37 CO 0.11 0.00 1.11 -0.81 -2.21 0.00 0.00 174.62 172.82 2k70 n PRO 38 N -0.14 0.00 -2.62 7.08 -0.04 -1.26 -3.62 135.00 134.40 2k70 n PRO 38 Ca -0.07 0.42 -0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2k70 n PRO 38 Cb 0.61 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 2k70 n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k70 n VAL 39 N -1.48 1.57 -3.56 0.52 0.24 -1.26 -4.55 118.33 109.80 2k70 n VAL 39 Ca 0.01 -3.30 -0.13 0.00 -2.04 0.00 0.00 64.34 58.88 2k70 n VAL 39 Cb 0.04 0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.96 2k70 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k70 s ALA 40 N -3.68 -1.87 0.12 2.33 0.00 -1.24 -3.98 121.76 113.44 2k70 s ALA 40 Ca 0.33 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2k70 s ALA 40 Cb 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2k70 s ALA 40 CO -0.02 -0.33 0.00 -1.91 0.00 0.00 0.00 175.76 173.50 2k70 n GLU 41 N 0.81 0.00 -1.54 0.00 2.13 -0.35 -4.16 120.64 117.53 2k70 n GLU 41 Ca -0.14 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.27 2k70 n GLU 41 Cb 0.58 -0.42 -0.01 0.00 0.27 0.00 0.00 31.44 31.85 2k70 n GLU 41 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k70 n ARG 42 N -3.43 2.74 -2.67 5.31 5.12 -0.29 -4.93 116.66 118.52 2k70 n ARG 42 Ca 0.00 -2.38 -0.33 0.00 -1.93 0.00 0.00 57.85 53.21 2k70 n ARG 42 Cb 0.05 -3.13 -0.05 0.00 -1.16 0.00 0.00 32.46 28.17 2k70 n ARG 42 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k70 s VAL 43 N 3.34 4.17 0.11 1.55 0.11 -1.26 -1.28 120.40 127.13 2k70 s VAL 43 Ca 0.52 1.32 -0.20 0.00 -2.93 0.00 0.00 61.98 60.69 2k70 s VAL 43 Cb 0.15 -3.55 0.05 0.00 -1.53 0.00 0.00 36.38 31.50 2k70 s VAL 43 CO -0.05 -0.32 0.48 -0.70 -3.33 0.00 0.00 175.10 171.18 2k70 s GLU 44 N -3.29 1.11 -0.03 1.54 -6.30 -0.40 -4.96 118.70 106.37 2k70 s GLU 44 Ca 0.64 -0.51 0.01 0.00 -2.50 0.00 0.00 54.97 52.62 2k70 s GLU 44 Cb -0.12 0.50 0.01 0.00 0.00 0.00 0.00 34.13 34.52 2k70 s GLU 44 CO 0.17 -0.44 -0.05 -0.48 0.02 0.00 0.00 175.26 174.48 2k70 s LEU 45 N -2.53 1.57 0.11 2.70 2.34 -1.26 -0.66 118.68 120.95 2k70 s LEU 45 Ca -0.00 -0.13 0.11 0.00 0.06 0.00 0.00 54.13 54.17 2k70 s LEU 45 Cb 0.00 -0.42 -0.04 0.00 -0.56 0.00 0.00 46.19 45.18 2k70 s LEU 45 CO -0.09 -0.00 -0.26 -1.00 -1.06 0.00 0.00 176.35 173.93 2k70 s HIS 46 N 0.53 2.27 0.81 3.48 3.76 0.00 -0.44 115.29 125.70 2k70 s HIS 46 Ca -0.07 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 2k70 s HIS 46 Cb -0.11 -1.25 0.18 0.00 1.11 0.00 0.00 32.58 32.51 2k70 s HIS 46 CO 0.00 0.30 1.10 -0.85 -0.85 0.00 0.00 174.74 174.44 2k70 n GLU 47 N 1.06 -0.76 -3.71 1.40 -0.00 0.21 -0.42 120.64 118.42 2k70 n GLU 47 Ca -0.18 -2.10 -0.13 0.00 -0.00 0.00 0.00 57.16 54.75 2k70 n GLU 47 Cb 0.53 -1.01 -0.09 0.00 -0.00 0.00 0.00 31.44 30.87 2k70 n GLU 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2k70 s THR 48 N -3.33 -0.00 0.15 3.84 2.01 -1.13 -3.71 115.64 113.46 2k70 s THR 48 Ca 0.66 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 2k70 s THR 48 Cb -0.02 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2k70 s THR 48 CO 0.45 0.00 0.28 0.72 -0.69 0.00 0.00 174.62 175.38 2k70 s PHE 49 N 0.41 0.34 -0.08 4.92 -0.71 -0.67 -4.14 117.98 118.04 2k70 s PHE 49 Ca -0.01 -0.71 -0.10 0.00 -1.04 0.00 0.00 56.93 55.06 2k70 s PHE 49 Cb -0.04 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 2k70 s PHE 49 CO -0.01 -0.69 0.25 1.41 -1.34 0.00 0.00 175.22 174.83 2k70 s MET 50 N -3.95 3.71 0.12 1.99 -2.45 -1.26 -0.67 119.30 116.80 2k70 s MET 50 Ca 0.15 0.08 -0.11 0.00 -1.25 0.00 0.00 55.69 54.55 2k70 s MET 50 Cb 0.03 -3.23 0.01 0.00 1.25 0.00 0.00 34.83 32.89 2k70 s MET 50 CO -0.02 0.68 0.28 -0.98 1.05 0.00 0.00 175.02 176.03 2k70 s ARG 51 N -0.86 1.00 0.41 4.11 1.70 0.08 -4.91 118.95 120.48 2k70 s ARG 51 Ca 0.18 -0.95 -0.16 0.00 -0.47 0.00 0.00 55.73 54.33 2k70 s ARG 51 Cb -0.14 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 2k70 s ARG 51 CO 0.07 -0.36 0.85 -2.00 -1.08 0.00 0.00 175.30 172.78 2k70 s GLU 52 N -3.87 4.00 -0.08 3.89 2.56 -1.26 -0.61 118.70 123.33 2k70 s GLU 52 Ca 0.08 0.80 -0.03 0.00 0.00 0.00 0.00 54.97 55.82 2k70 s GLU 52 Cb 0.03 -2.30 0.04 0.00 2.00 0.00 0.00 34.13 33.90 2k70 s GLU 52 CO -0.08 -0.02 0.06 0.08 -0.56 0.00 0.00 175.26 174.74 2k70 s VAL 53 N -2.24 -0.04 -1.87 3.70 1.01 0.41 -4.91 120.40 116.45 2k70 s VAL 53 Ca 0.56 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2k70 s VAL 53 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2k70 s VAL 53 CO 0.22 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.77 2k70 n GLU 54 N 5.27 -1.29 -0.59 2.72 1.02 -1.26 -0.77 120.64 125.74 2k70 n GLU 54 Ca -0.04 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 2k70 n GLU 54 Cb 0.50 -5.41 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k70 n GLY 55 N -0.78 0.79 3.49 0.62 0.00 -1.26 -5.04 105.19 103.00 2k70 n GLY 55 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2k70 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 56 N -0.41 3.73 -0.15 1.61 1.02 0.05 -5.07 119.74 120.52 2k70 s LYS 56 Ca 0.00 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2k70 s LYS 56 Cb 0.00 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2k70 s LYS 56 CO 0.00 -0.19 0.66 0.15 -0.92 0.00 0.00 175.35 175.05 2k70 s LYS 57 N 1.66 4.30 0.33 1.68 1.02 -1.26 -0.45 119.74 127.03 2k70 s LYS 57 Ca 0.07 0.73 -0.07 0.00 0.02 0.00 0.00 55.97 56.71 2k70 s LYS 57 Cb -0.15 -3.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2k70 s LYS 57 CO 0.06 -0.12 0.57 1.55 -0.92 0.00 0.00 175.35 176.49 2k70 n VAL 58 N 4.32 0.00 -4.47 3.17 3.14 0.22 -4.98 118.33 119.72 2k70 n VAL 58 Ca -0.01 -1.23 -0.25 0.00 -2.96 0.00 0.00 64.34 59.89 2k70 n VAL 58 Cb 0.50 0.93 -0.10 0.00 -1.06 0.00 0.00 33.84 34.11 2k70 n VAL 58 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 2k70 s MET 59 N -2.39 1.79 0.19 1.45 -1.94 -1.26 -0.74 119.30 116.40 2k70 s MET 59 Ca 0.20 -1.80 -0.04 0.00 -1.71 0.00 0.00 55.69 52.34 2k70 s MET 59 Cb -0.03 -1.78 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 2k70 s MET 59 CO 0.15 0.26 0.19 0.20 -0.01 0.00 0.00 175.02 175.81 2k70 s GLY 60 N -3.56 1.10 -0.25 -0.03 0.00 0.16 -4.84 107.32 99.90 2k70 s GLY 60 Ca 0.31 -1.43 -0.16 0.00 0.00 0.00 0.00 44.72 43.44 2k70 s GLY 60 CO 0.16 -1.20 0.62 -0.29 0.00 0.00 0.00 173.10 172.39 2k70 s MET 61 N -4.09 0.65 -0.01 2.90 1.75 -1.26 -1.67 119.30 117.56 2k70 s MET 61 Ca 0.31 1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 55.72 2k70 s MET 61 Cb 0.05 0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.89 2k70 s MET 61 CO 0.08 -0.14 0.17 1.03 -0.65 0.00 0.00 175.02 175.51 2k70 s ARG 62 N 1.27 0.48 0.57 4.11 1.81 -1.24 -5.01 118.95 120.95 2k70 s ARG 62 Ca -0.07 -0.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.47 2k70 s ARG 62 Cb -0.06 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.60 2k70 s ARG 62 CO -0.13 -0.12 1.03 -1.25 -0.68 0.00 0.00 175.30 174.15 2k70 s PRO 63 N -1.24 3.54 0.08 3.54 0.04 -1.26 -0.62 135.00 139.09 2k70 s PRO 63 Ca -0.13 1.06 0.05 0.00 0.04 0.00 0.00 61.00 62.01 2k70 s PRO 63 Cb -0.07 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2k70 s PRO 63 CO 0.02 -0.61 -0.13 0.14 0.04 0.00 0.00 177.00 176.46 2k70 s VAL 64 N -2.62 1.06 -0.29 -0.36 -7.23 0.42 -4.75 120.40 106.62 2k70 s VAL 64 Ca 0.61 -1.40 0.24 0.00 -1.81 0.00 0.00 61.98 59.62 2k70 s VAL 64 Cb -0.13 -1.14 0.32 0.00 0.56 0.00 0.00 36.38 35.99 2k70 s VAL 64 CO 0.38 -0.33 1.67 1.55 -0.31 0.00 0.00 175.10 178.06 2k70 h PRO 65 N 4.07 0.00 -1.07 4.82 0.13 -1.96 -3.43 132.00 134.56 2k70 h PRO 65 Ca -0.40 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.09 2k70 h PRO 65 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2k70 h PRO 65 CO 0.44 0.05 0.97 -0.59 -0.23 0.00 0.00 178.00 178.64 2k70 s PHE 66 N -3.29 -0.01 0.17 1.56 -0.12 -1.26 -4.76 117.98 110.27 2k70 s PHE 66 Ca 0.05 0.00 0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2k70 s PHE 66 Cb 0.06 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 2k70 s PHE 66 CO 0.65 -0.04 0.01 -0.51 -0.05 0.00 0.00 175.22 175.29 2k70 s LEU 67 N -2.42 3.36 0.03 -1.99 1.43 -0.14 -4.97 118.68 113.98 2k70 s LEU 67 Ca 0.13 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2k70 s LEU 67 Cb 0.02 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2k70 s LEU 67 CO -0.04 0.09 -0.09 -0.70 0.23 0.00 0.00 176.35 175.84 2k70 s GLU 68 N -2.95 0.59 -0.05 1.70 2.12 -1.26 -0.23 118.70 118.62 2k70 s GLU 68 Ca 0.28 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 2k70 s GLU 68 Cb -0.09 -0.48 0.03 0.00 0.26 0.00 0.00 34.13 33.85 2k70 s GLU 68 CO 0.19 0.11 0.12 0.08 -0.54 0.00 0.00 175.26 175.22 2k70 s VAL 69 N -0.90 -0.04 0.76 3.70 1.01 0.36 -4.98 120.40 120.31 2k70 s VAL 69 Ca -0.04 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2k70 s VAL 69 Cb -0.07 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.16 2k70 s VAL 69 CO 0.00 0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.09 2k70 s PRO 70 N 0.92 2.36 0.37 2.72 0.04 -1.26 -0.75 135.00 139.40 2k70 s PRO 70 Ca -0.07 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 2k70 s PRO 70 Cb -0.09 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2k70 s PRO 70 CO -0.04 -1.54 1.49 -1.25 0.04 0.00 0.00 177.00 175.69 2k70 s PRO 71 N -4.95 4.11 0.00 0.56 0.04 -1.25 -2.04 135.00 131.46 2k70 s PRO 71 Ca 0.60 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.22 2k70 s PRO 71 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2k70 s PRO 71 CO 0.56 -0.54 0.00 1.63 0.04 0.00 0.00 177.00 178.69 2k70 n LYS 72 N 0.53 0.00 -2.44 4.56 4.01 -0.32 -4.97 118.16 119.53 2k70 n LYS 72 Ca 0.01 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.49 2k70 n LYS 72 Cb 0.39 -3.48 -0.04 0.00 -0.51 0.00 0.00 35.03 31.39 2k70 n LYS 72 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2k70 s GLY 73 N -2.00 2.12 0.04 0.72 0.00 -0.87 -4.74 107.32 102.59 2k70 s GLY 73 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2k70 s GLY 73 CO 0.00 0.51 0.02 0.50 0.00 0.00 0.00 173.10 174.14 2k70 s ARG 74 N -3.93 2.78 -0.10 2.90 0.52 -1.26 -1.12 118.95 118.74 2k70 s ARG 74 Ca 0.60 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 55.10 2k70 s ARG 74 Cb -0.10 -2.67 0.05 0.00 0.52 0.00 0.00 34.95 32.75 2k70 s ARG 74 CO 0.29 0.59 0.20 0.08 0.02 0.00 0.00 175.30 176.49 2k70 s VAL 75 N -1.21 -0.17 -0.13 3.52 1.01 -0.17 -4.99 120.40 118.26 2k70 s VAL 75 Ca 0.23 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 2k70 s VAL 75 Cb -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2k70 s VAL 75 CO 0.15 0.09 0.39 -1.61 0.00 0.00 0.00 175.10 174.13 2k70 s GLU 76 N 1.69 4.27 -1.18 2.72 8.01 -1.26 -1.25 118.70 131.69 2k70 s GLU 76 Ca -0.05 0.30 -0.16 0.00 0.01 0.00 0.00 54.97 55.07 2k70 s GLU 76 Cb -0.11 -3.41 -0.05 0.00 -4.31 0.00 0.00 34.13 26.25 2k70 s GLU 76 CO -0.07 0.24 2.16 1.28 0.01 0.00 0.00 175.26 178.87 2k70 n LEU 77 N 3.47 5.85 -4.91 1.80 4.32 0.51 -4.45 117.00 123.59 2k70 n LEU 77 Ca -0.10 -3.62 -0.28 0.00 -0.02 0.00 0.00 56.01 52.00 2k70 n LEU 77 Cb 0.52 -1.42 -0.02 0.00 -1.62 0.00 0.00 43.42 40.88 2k70 n LEU 77 CO 0.41 0.60 0.28 -1.59 -1.22 0.00 0.00 177.39 175.88 2k70 s LYS 78 N 3.81 3.62 0.63 3.23 -2.85 -0.75 -0.73 119.74 126.69 2k70 s LYS 78 Ca 0.52 0.06 0.40 0.00 -1.00 0.00 0.00 55.97 55.95 2k70 s LYS 78 Cb 0.14 -2.55 2.10 0.00 -2.06 0.00 0.00 37.83 35.46 2k70 s LYS 78 CO -0.01 0.08 2.27 -1.00 0.10 0.00 0.00 175.35 176.79 2k70 h PRO 79 N 1.18 0.00 -2.35 1.78 0.13 -1.94 -2.37 132.00 128.43 2k70 h PRO 79 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 2k70 h PRO 79 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k70 h PRO 79 CO 0.64 0.01 0.78 0.41 -0.23 0.00 0.00 178.00 179.61 2k70 n GLY 80 N -0.87 3.19 0.00 1.56 0.00 -1.26 -4.84 105.19 102.96 2k70 n GLY 80 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2k70 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 81 N 2.84 0.61 3.77 -0.02 0.00 -0.91 -4.97 105.19 106.51 2k70 n GLY 81 Ca 0.49 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2k70 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k70 s TYR 82 N 0.00 3.35 0.01 1.61 2.02 -1.10 -2.84 117.35 120.40 2k70 s TYR 82 Ca 0.00 1.66 -0.28 0.00 -0.37 0.00 0.00 57.07 58.07 2k70 s TYR 82 Cb 0.00 -3.21 0.08 0.00 -0.40 0.00 0.00 41.96 38.43 2k70 s TYR 82 CO 0.00 -0.67 0.71 -3.38 -1.57 0.00 0.00 175.55 170.64 2k70 s HIS 83 N -1.47 -0.55 0.17 2.71 -3.43 0.44 -1.81 115.29 111.34 2k70 s HIS 83 Ca 0.53 0.72 -0.30 0.00 -0.80 0.00 0.00 55.06 55.21 2k70 s HIS 83 Cb -0.26 0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 31.29 2k70 s HIS 83 CO 0.33 -0.65 1.02 -0.06 -2.00 0.00 0.00 174.74 173.38 2k70 s PHE 84 N -2.21 3.75 -0.15 0.38 0.08 -0.69 -0.82 117.98 118.33 2k70 s PHE 84 Ca -0.04 1.74 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 2k70 s PHE 84 Cb -0.00 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 2k70 s PHE 84 CO -0.00 -0.09 0.22 1.41 -0.10 0.00 0.00 175.22 176.66 2k70 s MET 85 N -0.40 4.01 -0.25 0.44 1.75 0.16 -0.55 119.30 124.46 2k70 s MET 85 Ca 0.47 -0.02 -0.02 0.00 -1.25 0.00 0.00 55.69 54.87 2k70 s MET 85 Cb -0.26 -3.35 0.02 0.00 2.84 0.00 0.00 34.83 34.08 2k70 s MET 85 CO 0.33 0.43 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.56 2k70 s LEU 86 N -0.08 3.17 0.21 4.11 1.02 0.34 -1.27 118.68 126.17 2k70 s LEU 86 Ca 0.14 -0.81 0.11 0.00 0.02 0.00 0.00 54.13 53.60 2k70 s LEU 86 Cb -0.13 -1.68 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 2k70 s LEU 86 CO 0.03 -0.12 -0.23 -0.76 0.02 0.00 0.00 176.35 175.29 2k70 s LEU 87 N 1.35 2.46 -0.38 1.79 1.02 -0.41 -0.64 118.68 123.88 2k70 s LEU 87 Ca 0.01 -0.90 -0.01 0.00 0.02 0.00 0.00 54.13 53.25 2k70 s LEU 87 Cb -0.16 -1.15 0.00 0.00 0.02 0.00 0.00 46.19 44.90 2k70 s LEU 87 CO -0.04 0.10 0.32 0.61 0.02 0.00 0.00 176.35 177.36 2k70 n GLY 88 N 0.10 0.33 3.53 -3.19 0.00 -1.25 -1.13 105.19 103.57 2k70 n GLY 88 Ca -0.11 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 2k70 n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k70 n LEU 89 N -1.89 2.04 -0.00 0.99 -0.00 -1.26 -2.45 117.00 114.43 2k70 n LEU 89 Ca -0.05 0.64 0.03 0.00 -0.00 0.00 0.00 56.01 56.63 2k70 n LEU 89 Cb 0.54 -1.30 -0.04 0.00 -0.00 0.00 0.00 43.42 42.62 2k70 n LEU 89 CO 0.19 -2.62 -0.14 0.29 -0.00 0.00 0.00 177.39 175.11 2k70 n LYS 90 N -1.17 3.82 -3.86 1.47 4.76 -1.26 -4.87 118.16 117.06 2k70 n LYS 90 Ca 0.11 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 2k70 n LYS 90 Cb 0.49 -0.89 -0.09 0.00 -1.84 0.00 0.00 35.03 32.70 2k70 n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k70 s ARG 91 N -1.81 0.57 0.67 1.97 0.52 -1.26 -5.04 118.95 114.57 2k70 s ARG 91 Ca 0.01 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.60 2k70 s ARG 91 Cb 0.05 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.76 2k70 s ARG 91 CO 0.27 -0.15 1.14 -1.25 0.02 0.00 0.00 175.30 175.33 2k70 s PRO 92 N -1.81 2.66 -0.07 3.54 0.04 -1.26 -5.03 135.00 133.07 2k70 s PRO 92 Ca -0.11 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2k70 s PRO 92 Cb -0.05 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2k70 s PRO 92 CO -0.00 -1.38 0.28 -0.48 0.04 0.00 0.00 177.00 175.46 2k70 s LEU 93 N -4.88 0.94 0.37 -3.56 0.05 -1.26 -5.18 118.68 105.17 2k70 s LEU 93 Ca 0.69 0.37 0.04 0.00 0.05 0.00 0.00 54.13 55.28 2k70 s LEU 93 Cb -0.23 1.04 -0.05 0.00 -2.05 0.00 0.00 46.19 44.91 2k70 s LEU 93 CO 0.42 -0.22 0.07 -0.54 -0.55 0.00 0.00 176.35 175.52 2k70 s LYS 94 N -0.40 1.80 0.03 1.48 1.02 -1.26 -4.85 119.74 117.55 2k70 s LYS 94 Ca -0.05 -2.05 -0.30 0.00 0.02 0.00 0.00 55.97 53.59 2k70 s LYS 94 Cb -0.03 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 2k70 s LYS 94 CO 0.02 -0.28 1.00 0.00 -0.92 0.00 0.00 175.35 175.17 2k70 s ALA 95 N -3.20 3.20 0.00 5.17 0.00 -1.26 -4.05 121.76 121.62 2k70 s ALA 95 Ca 0.30 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2k70 s ALA 95 Cb 0.06 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2k70 s ALA 95 CO 0.14 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2k70 n GLY 96 N 2.82 0.86 2.97 0.00 0.00 0.03 -4.96 105.19 106.92 2k70 n GLY 96 Ca 0.06 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 2k70 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k70 n GLU 97 N -0.33 0.67 -4.10 1.61 1.02 -1.20 -4.99 120.64 113.31 2k70 n GLU 97 Ca 0.00 -3.05 -0.15 0.00 -0.02 0.00 0.00 57.16 53.94 2k70 n GLU 97 Cb 0.27 1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 33.09 2k70 n GLU 97 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k70 s GLU 98 N -3.39 0.40 -0.18 3.49 2.02 -1.26 -0.17 118.70 119.61 2k70 s GLU 98 Ca 0.16 -0.31 -0.13 0.00 0.02 0.00 0.00 54.97 54.70 2k70 s GLU 98 Cb 0.01 -0.33 0.05 0.00 0.10 0.00 0.00 34.13 33.96 2k70 s GLU 98 CO 0.11 0.08 0.46 0.08 0.02 0.00 0.00 175.26 176.01 2k70 s VAL 99 N -0.44 -0.01 0.30 2.63 1.01 0.26 -4.91 120.40 119.24 2k70 s VAL 99 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2k70 s VAL 99 Cb -0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2k70 s VAL 99 CO -0.00 0.02 0.54 -1.83 0.00 0.00 0.00 175.10 173.83 2k70 s GLU 100 N 0.87 3.58 0.31 2.72 -1.05 -1.26 -1.51 118.70 122.36 2k70 s GLU 100 Ca -0.05 -0.11 0.09 0.00 -0.15 0.00 0.00 54.97 54.75 2k70 s GLU 100 Cb -0.06 -2.67 -0.05 0.00 -0.44 0.00 0.00 34.13 30.92 2k70 s GLU 100 CO -0.07 0.21 -0.00 -0.51 0.95 0.00 0.00 175.26 175.83 2k70 s LEU 101 N -3.75 3.03 -0.13 1.83 1.02 -0.15 -4.27 118.68 116.26 2k70 s LEU 101 Ca 0.42 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.73 2k70 s LEU 101 Cb -0.10 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.64 2k70 s LEU 101 CO 0.32 -0.14 -0.20 -1.81 0.02 0.00 0.00 176.35 174.55 2k70 s ASP 102 N -3.69 2.87 -0.19 2.29 1.01 0.03 -0.37 116.67 118.62 2k70 s ASP 102 Ca 0.33 -0.54 -0.07 0.00 0.71 0.00 0.00 52.55 52.98 2k70 s ASP 102 Cb -0.03 -1.32 -0.04 0.00 1.01 0.00 0.00 42.92 42.54 2k70 s ASP 102 CO 0.19 0.06 0.06 -0.76 0.21 0.00 0.00 175.17 174.93 2k70 s LEU 103 N 0.85 3.75 -0.41 1.23 1.02 0.38 -0.32 118.68 125.18 2k70 s LEU 103 Ca -0.08 0.04 -0.13 0.00 0.02 0.00 0.00 54.13 53.99 2k70 s LEU 103 Cb -0.15 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.15 2k70 s LEU 103 CO -0.01 0.16 0.28 -0.76 0.02 0.00 0.00 176.35 176.03 2k70 s LEU 104 N 0.48 5.07 0.21 1.79 1.43 -0.54 -1.75 118.68 125.37 2k70 s LEU 104 Ca 0.03 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2k70 s LEU 104 Cb -0.13 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2k70 s LEU 104 CO 0.01 -0.48 0.41 -0.36 0.23 0.00 0.00 176.35 176.16 2k70 s PHE 105 N 1.59 3.48 0.23 0.29 0.08 -0.50 -0.42 117.98 122.73 2k70 s PHE 105 Ca 0.03 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.16 2k70 s PHE 105 Cb -0.21 -1.89 -0.14 0.00 -0.57 0.00 0.00 43.02 40.21 2k70 s PHE 105 CO 0.07 0.36 1.26 0.00 -0.10 0.00 0.00 175.22 176.81 2k70 n ALA 106 N -0.65 0.27 -0.09 5.36 0.00 -0.36 -1.98 120.51 123.07 2k70 n ALA 106 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2k70 n ALA 106 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2k70 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 107 N 1.89 0.70 0.32 0.00 0.00 -1.26 -4.46 105.19 102.38 2k70 n GLY 107 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k70 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 108 N -2.00 0.91 3.69 -0.02 0.00 -0.84 -5.07 105.19 101.87 2k70 n GLY 108 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2k70 n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k70 s LYS 109 N -0.60 4.41 -0.18 1.61 2.20 -1.13 -4.90 119.74 121.15 2k70 s LYS 109 Ca 0.00 1.56 -0.09 0.00 -0.36 0.00 0.00 55.97 57.08 2k70 s LYS 109 Cb 0.00 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2k70 s LYS 109 CO 0.00 -0.33 0.11 0.08 -0.36 0.00 0.00 175.35 174.85 2k70 s VAL 110 N 1.87 5.26 -0.18 4.02 1.01 -1.26 -1.40 120.40 129.72 2k70 s VAL 110 Ca 0.53 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 2k70 s VAL 110 Cb -0.23 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2k70 s VAL 110 CO 0.22 0.47 -0.06 -0.22 0.00 0.00 0.00 175.10 175.52 2k70 s LEU 111 N 0.14 1.79 -0.13 3.92 2.96 -0.72 -4.94 118.68 121.71 2k70 s LEU 111 Ca 0.08 -0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2k70 s LEU 111 Cb -0.11 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2k70 s LEU 111 CO -0.01 -0.19 0.01 -1.59 -1.32 0.00 0.00 176.35 173.26 2k70 s LYS 112 N 1.58 3.46 0.02 1.98 -2.85 -1.26 -0.47 119.74 122.20 2k70 s LYS 112 Ca -0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2k70 s LYS 112 Cb -0.16 -2.95 -0.02 0.00 -2.06 0.00 0.00 37.83 32.64 2k70 s LYS 112 CO -0.08 0.47 -0.03 0.14 0.10 0.00 0.00 175.35 175.95 2k70 s VAL 113 N -0.22 0.13 -0.15 1.79 -7.23 0.51 -1.52 120.40 113.70 2k70 s VAL 113 Ca 0.06 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2k70 s VAL 113 Cb -0.12 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2k70 s VAL 113 CO 0.02 -0.40 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.54 2k70 s VAL 114 N -1.19 2.38 0.02 1.32 1.01 -1.26 -0.98 120.40 121.71 2k70 s VAL 114 Ca -0.13 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2k70 s VAL 114 Cb -0.08 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2k70 s VAL 114 CO -0.01 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 2k70 s LEU 115 N 0.89 2.12 0.47 3.92 1.02 -0.57 -4.82 118.68 121.71 2k70 s LEU 115 Ca -0.04 -0.41 -0.21 0.00 0.02 0.00 0.00 54.13 53.49 2k70 s LEU 115 Cb -0.15 -0.77 -0.09 0.00 0.02 0.00 0.00 46.19 45.20 2k70 s LEU 115 CO -0.02 0.12 1.03 -2.16 0.02 0.00 0.00 176.35 175.34 2k70 s PRO 116 N -0.86 3.88 -0.23 1.29 0.04 -1.26 -0.57 135.00 137.29 2k70 s PRO 116 Ca 0.05 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 2k70 s PRO 116 Cb -0.07 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2k70 s PRO 116 CO 0.01 -0.36 0.12 0.08 0.04 0.00 0.00 177.00 176.88 2k70 s VAL 117 N -1.95 4.98 0.06 -0.36 1.01 0.75 -0.61 120.40 124.28 2k70 s VAL 117 Ca 0.66 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2k70 s VAL 117 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2k70 s VAL 117 CO 0.20 0.36 0.32 -1.61 0.00 0.00 0.00 175.10 174.38 2k70 s GLU 118 N 1.06 0.86 -1.52 2.72 2.02 -0.77 -0.79 118.70 122.28 2k70 s GLU 118 Ca 0.06 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 2k70 s GLU 118 Cb -0.14 0.37 -0.10 0.00 0.10 0.00 0.00 34.13 34.36 2k70 s GLU 118 CO 0.04 -0.29 3.01 0.00 0.02 0.00 0.00 175.26 178.04 2k70 n ALA 119 N 0.43 7.50 -0.57 5.21 0.00 -1.26 -0.62 120.51 131.18 2k70 n ALA 119 Ca -0.18 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.85 2k70 n ALA 119 Cb 0.60 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2k70 n ALA 119 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39