#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 -1.43 1.30 1.61 0.01 -1.26 -5.04 113.70 108.89 2k70 s SER 2 Ca 0.00 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 2k70 s SER 2 Cb 0.00 -1.18 0.32 0.00 0.21 0.00 0.00 66.02 65.38 2k70 s SER 2 CO 0.00 -5.58 1.04 0.72 0.41 0.00 0.00 173.24 169.83 2k70 s PHE 3 N -2.18 -0.02 -0.19 2.43 -0.71 -1.26 -4.76 117.98 111.28 2k70 s PHE 3 Ca 0.68 0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 56.79 2k70 s PHE 3 Cb -0.13 -3.26 0.13 0.00 -1.21 0.00 0.00 43.02 38.55 2k70 s PHE 3 CO 0.58 -4.35 1.01 -0.08 -1.34 0.00 0.00 175.22 171.04 2k70 s THR 4 N -2.73 0.00 -1.20 -4.49 -1.32 -1.26 -4.81 115.64 99.83 2k70 s THR 4 Ca 0.70 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.14 2k70 s THR 4 Cb -0.10 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.06 2k70 s THR 4 CO 0.57 0.00 2.24 -0.62 -2.21 0.00 0.00 174.62 174.59 2k70 n GLU 5 N 1.10 4.74 -4.55 7.08 4.71 -1.26 -4.87 120.64 127.58 2k70 n GLU 5 Ca -0.11 -3.76 -0.26 0.00 -0.01 0.00 0.00 57.16 53.02 2k70 n GLU 5 Cb 0.57 -2.56 -0.11 0.00 -1.01 0.00 0.00 31.44 28.33 2k70 n GLU 5 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2k70 s GLY 6 N -0.13 2.32 -0.01 0.62 0.00 -1.26 -4.24 107.32 104.61 2k70 s GLY 6 Ca 0.50 -2.20 -0.26 0.00 0.00 0.00 0.00 44.72 42.76 2k70 s GLY 6 CO -0.11 -1.99 0.57 0.66 0.00 0.00 0.00 173.10 172.22 2k70 s TRP 7 N -2.90 -0.51 -0.22 1.90 -2.14 -0.37 -4.20 118.94 110.49 2k70 s TRP 7 Ca 0.35 0.78 -0.23 0.00 2.66 0.00 0.00 56.10 59.67 2k70 s TRP 7 Cb 0.09 0.34 -0.02 0.00 -3.10 0.00 0.00 33.47 30.78 2k70 s TRP 7 CO 0.17 -0.59 0.72 0.08 -2.66 0.00 0.00 176.95 174.68 2k70 s VAL 8 N -1.61 4.93 -0.25 -0.66 1.01 0.42 -2.64 120.40 121.61 2k70 s VAL 8 Ca -0.10 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 2k70 s VAL 8 Cb -0.01 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2k70 s VAL 8 CO 0.05 0.02 1.14 -0.60 0.00 0.00 0.00 175.10 175.71 2k70 s ARG 9 N 2.41 4.15 0.74 2.72 3.00 -0.25 -1.39 118.95 130.33 2k70 s ARG 9 Ca 0.31 1.33 -0.16 0.00 -1.00 0.00 0.00 55.73 56.22 2k70 s ARG 9 Cb -0.16 -3.73 0.01 0.00 0.00 0.00 0.00 34.95 31.07 2k70 s ARG 9 CO 0.09 -0.80 0.91 0.34 0.00 0.00 0.00 175.30 175.84 2k70 n PHE 10 N 6.74 0.45 -3.57 5.12 7.35 0.19 -4.05 117.46 129.69 2k70 n PHE 10 Ca 0.13 0.38 -0.14 0.00 -0.76 0.00 0.00 57.45 57.06 2k70 n PHE 10 Cb 0.46 -2.05 -0.06 0.00 0.35 0.00 0.00 39.48 38.18 2k70 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k70 s SER 11 N -1.67 -0.55 0.00 -2.13 0.15 -1.26 -4.89 113.70 103.34 2k70 s SER 11 Ca 0.72 0.75 0.16 0.00 0.70 0.00 0.00 55.95 58.28 2k70 s SER 11 Cb -0.34 0.66 0.62 0.00 -1.71 0.00 0.00 66.02 65.25 2k70 s SER 11 CO 0.52 -0.41 1.45 -0.81 1.20 0.00 0.00 173.24 175.19 2k70 n PRO 12 N 1.31 1.54 -1.86 5.44 -0.04 -1.26 -4.91 135.00 135.23 2k70 n PRO 12 Ca -0.15 -0.83 -0.01 0.00 -0.04 0.00 0.00 63.50 62.48 2k70 n PRO 12 Cb 0.57 -1.30 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.98 3.75 0.22 0.55 0.00 -1.26 -5.04 105.19 104.40 2k70 n GLY 13 Ca 0.13 -2.20 0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.35 1.61 0.13 -1.97 -3.46 132.00 123.97 2k70 h PRO 14 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.94 2k70 h PRO 14 Cb 0.02 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.98 2k70 h PRO 14 CO 0.01 0.00 -0.70 0.54 -0.23 0.00 0.00 178.00 177.62 2k70 s ASN 15 N -5.03 0.67 0.33 1.44 2.20 -1.26 -0.97 114.94 112.31 2k70 s ASN 15 Ca 0.02 -0.82 0.05 0.00 -0.94 0.00 0.00 52.86 51.17 2k70 s ASN 15 Cb 0.09 0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.45 2k70 s ASN 15 CO 0.46 -0.43 0.20 0.00 -2.94 0.00 0.00 177.10 174.38 2k70 n ALA 16 N 0.62 0.59 -2.26 3.54 0.00 0.48 -4.72 120.51 118.76 2k70 n ALA 16 Ca -0.17 -1.82 -0.14 0.00 0.00 0.00 0.00 53.44 51.31 2k70 n ALA 16 Cb 0.59 1.35 -0.10 0.00 0.00 0.00 0.00 19.45 21.29 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 -3.12 1.46 -0.04 0.00 0.00 -1.26 -1.05 121.76 117.76 2k70 s ALA 17 Ca 0.28 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.73 2k70 s ALA 17 Cb 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 2k70 s ALA 17 CO 0.20 -0.17 -0.15 0.00 0.00 0.00 0.00 175.76 175.65 2k70 s ALA 18 N -3.41 1.31 -0.06 0.00 0.00 0.53 -1.09 121.76 119.04 2k70 s ALA 18 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2k70 s ALA 18 Cb 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2k70 s ALA 18 CO 0.02 0.24 -0.15 0.71 0.00 0.00 0.00 175.76 176.58 2k70 s TYR 19 N 0.06 1.63 -0.18 0.00 1.51 -1.08 -1.77 117.35 117.52 2k70 s TYR 19 Ca -0.03 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 2k70 s TYR 19 Cb -0.10 -1.14 0.14 0.00 -0.11 0.00 0.00 41.96 40.75 2k70 s TYR 19 CO 0.01 -0.24 1.04 -0.48 -1.11 0.00 0.00 175.55 174.78 2k70 s LEU 20 N 0.36 -0.33 -0.18 -1.29 0.05 -1.02 -1.24 118.68 115.04 2k70 s LEU 20 Ca -0.10 0.36 -0.29 0.00 0.05 0.00 0.00 54.13 54.15 2k70 s LEU 20 Cb -0.14 1.76 -0.00 0.00 -2.05 0.00 0.00 46.19 45.76 2k70 s LEU 20 CO 0.03 -0.30 1.07 -0.89 -0.55 0.00 0.00 176.35 175.71 2k70 s THR 21 N -1.08 4.63 -0.11 5.48 2.01 -1.26 -0.31 115.64 125.01 2k70 s THR 21 Ca -0.00 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 2k70 s THR 21 Cb -0.01 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2k70 s THR 21 CO 0.00 -0.11 1.00 -0.76 -0.69 0.00 0.00 174.62 174.06 2k70 s LEU 22 N 2.84 4.24 0.00 4.42 2.01 0.66 -4.64 118.68 128.22 2k70 s LEU 22 Ca 0.47 1.52 -0.10 0.00 0.01 0.00 0.00 54.13 56.03 2k70 s LEU 22 Cb -0.17 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.43 2k70 s LEU 22 CO 0.11 -0.44 0.32 -0.70 1.01 0.00 0.00 176.35 176.65 2k70 s GLU 23 N 2.01 3.71 -0.78 1.70 2.12 -1.26 -0.71 118.70 125.49 2k70 s GLU 23 Ca 0.48 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.97 2k70 s GLU 23 Cb -0.18 -3.12 0.25 0.00 0.26 0.00 0.00 34.13 31.34 2k70 s GLU 23 CO 0.18 0.66 0.88 -1.71 -0.54 0.00 0.00 175.26 174.73 2k70 n ASN 24 N 1.44 4.33 0.31 -1.70 4.05 -0.58 -4.95 115.26 118.15 2k70 n ASN 24 Ca -0.13 -3.37 0.20 0.00 0.45 0.00 0.00 54.58 51.73 2k70 n ASN 24 Cb 0.53 -0.86 0.94 0.00 1.23 0.00 0.00 39.78 41.62 2k70 n ASN 24 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2k70 h PRO 25 N 4.82 0.00 0.00 1.20 0.13 -1.92 0.83 132.00 137.06 2k70 h PRO 25 Ca 0.19 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.98 2k70 h PRO 25 Cb 0.68 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.96 2k70 h PRO 25 CO 0.93 0.00 0.29 0.41 -0.23 0.00 0.00 178.00 179.40 2k70 n GLY 26 N -0.50 -1.73 0.58 1.56 0.00 -1.26 -4.72 105.19 99.12 2k70 n GLY 26 Ca -0.01 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.44 2k70 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k70 n ASP 27 N -3.89 2.17 -4.39 1.61 8.00 -1.26 -3.14 116.55 115.65 2k70 n ASP 27 Ca 0.13 -1.59 -0.24 0.00 0.71 0.00 0.00 54.79 53.81 2k70 n ASP 27 Cb 0.47 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.65 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2k70 s LEU 28 N -1.74 2.47 0.27 0.64 0.05 -1.26 -4.83 118.68 114.28 2k70 s LEU 28 Ca 0.18 -0.90 -0.29 0.00 0.05 0.00 0.00 54.13 53.17 2k70 s LEU 28 Cb 0.14 -1.00 -0.09 0.00 -2.05 0.00 0.00 46.19 43.19 2k70 s LEU 28 CO 0.31 0.03 1.02 -2.16 -0.55 0.00 0.00 176.35 175.00 2k70 s PRO 29 N -2.91 4.71 0.19 1.48 0.04 -1.26 -4.31 135.00 132.94 2k70 s PRO 29 Ca 0.20 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 2k70 s PRO 29 Cb -0.06 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2k70 s PRO 29 CO 0.09 0.33 0.45 -0.51 0.04 0.00 0.00 177.00 177.40 2k70 s LEU 30 N -1.41 4.20 -0.23 -3.56 1.43 -0.49 -4.96 118.68 113.66 2k70 s LEU 30 Ca 0.44 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2k70 s LEU 30 Cb -0.28 -3.43 0.07 0.00 0.03 0.00 0.00 46.19 42.57 2k70 s LEU 30 CO 0.36 -0.03 0.07 -0.60 0.23 0.00 0.00 176.35 176.38 2k70 s ARG 31 N -2.90 0.52 -0.47 1.70 3.52 -1.26 -0.14 118.95 119.92 2k70 s ARG 31 Ca 0.43 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 55.31 2k70 s ARG 31 Cb -0.12 -1.92 0.04 0.00 -1.56 0.00 0.00 34.95 31.39 2k70 s ARG 31 CO 0.25 -0.76 0.67 -1.17 -0.81 0.00 0.00 175.30 173.48 2k70 s LEU 32 N 1.88 4.60 -0.04 -0.88 2.96 0.45 -1.11 118.68 126.53 2k70 s LEU 32 Ca 0.03 -0.52 0.21 0.00 -0.22 0.00 0.00 54.13 53.63 2k70 s LEU 32 Cb -0.17 -2.65 -0.32 0.00 0.50 0.00 0.00 46.19 43.55 2k70 s LEU 32 CO -0.15 -0.86 0.42 1.33 -1.32 0.00 0.00 176.35 175.76 2k70 n VAL 33 N 5.82 0.12 -3.72 1.68 0.24 -0.03 -0.80 118.33 121.64 2k70 n VAL 33 Ca -0.03 -0.51 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 2k70 n VAL 33 Cb 0.47 -0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.36 1.33 3.00 7.63 0.00 -0.72 -4.78 105.19 113.02 2k70 n GLY 34 Ca -0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.97 -1.08 -3.51 4.61 0.00 -1.26 -1.04 120.51 117.27 2k70 n ALA 35 Ca -0.14 -1.15 -0.16 0.00 0.00 0.00 0.00 53.44 51.99 2k70 n ALA 35 Cb 0.50 0.92 -0.05 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.27 1.05 0.03 0.00 3.52 -0.17 -4.83 118.95 116.29 2k70 s ARG 36 Ca 0.17 0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 55.75 2k70 s ARG 36 Cb -0.03 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2k70 s ARG 36 CO 0.12 -0.35 0.31 -0.08 -0.81 0.00 0.00 175.30 174.49 2k70 s THR 37 N -1.62 0.08 -1.21 4.11 -1.32 -1.26 -0.45 115.64 113.96 2k70 s THR 37 Ca -0.08 -0.63 0.19 0.00 -1.21 0.00 0.00 61.69 59.96 2k70 s THR 37 Cb -0.00 -0.88 0.24 0.00 -1.51 0.00 0.00 72.50 70.35 2k70 s THR 37 CO 0.05 -0.35 1.59 -0.81 -2.21 0.00 0.00 174.62 172.89 2k70 n PRO 38 N 0.71 0.13 -2.35 7.08 -0.04 -1.26 -3.98 135.00 135.29 2k70 n PRO 38 Ca -0.19 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 2k70 n PRO 38 Cb 0.59 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.39 2.17 -3.88 0.52 0.24 -1.26 -4.59 118.33 110.13 2k70 n VAL 39 Ca 0.07 -4.24 -0.09 0.00 -2.04 0.00 0.00 64.34 58.04 2k70 n VAL 39 Cb 0.18 -0.74 -0.01 0.00 -1.47 0.00 0.00 33.84 31.81 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 -3.55 -0.61 0.02 2.33 0.00 -1.26 -4.06 121.76 114.64 2k70 s ALA 40 Ca 0.45 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 2k70 s ALA 40 Cb 0.40 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 2k70 s ALA 40 CO -0.06 -0.96 -0.10 -1.91 0.00 0.00 0.00 175.76 172.74 2k70 n GLU 41 N -0.50 0.14 -2.68 0.00 4.07 -0.11 -4.77 120.64 116.80 2k70 n GLU 41 Ca -0.05 0.06 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 2k70 n GLU 41 Cb 0.60 -0.75 -0.03 0.00 -0.06 0.00 0.00 31.44 31.20 2k70 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k70 s ARG 42 N -2.23 3.48 0.51 5.31 0.52 -0.13 -4.95 118.95 121.45 2k70 s ARG 42 Ca -0.08 0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 55.07 2k70 s ARG 42 Cb 0.01 -4.01 -0.08 0.00 0.52 0.00 0.00 34.95 31.40 2k70 s ARG 42 CO 0.12 -1.55 1.00 0.54 0.02 0.00 0.00 175.30 175.43 2k70 s VAL 43 N 4.50 4.19 -0.26 3.52 0.11 -1.26 -0.51 120.40 130.68 2k70 s VAL 43 Ca 0.39 1.18 -0.05 0.00 -2.93 0.00 0.00 61.98 60.57 2k70 s VAL 43 Cb -0.09 -3.56 0.14 0.00 -1.53 0.00 0.00 36.38 31.33 2k70 s VAL 43 CO 0.24 -0.47 0.53 -0.70 -3.33 0.00 0.00 175.10 171.37 2k70 s GLU 44 N -3.69 0.47 -0.26 1.54 2.12 0.03 -4.97 118.70 113.94 2k70 s GLU 44 Ca 0.62 1.06 -0.28 0.00 0.36 0.00 0.00 54.97 56.73 2k70 s GLU 44 Cb -0.12 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2k70 s GLU 44 CO 0.26 -0.41 1.02 -1.17 -0.54 0.00 0.00 175.26 174.42 2k70 s LEU 45 N 2.75 4.05 0.14 2.70 2.96 -1.26 -0.01 118.68 130.01 2k70 s LEU 45 Ca 0.06 1.23 0.08 0.00 -0.22 0.00 0.00 54.13 55.28 2k70 s LEU 45 Cb -0.13 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2k70 s LEU 45 CO -0.17 -0.70 -0.19 -1.00 -1.32 0.00 0.00 176.35 172.96 2k70 s HIS 46 N 3.27 1.79 0.64 5.38 3.76 -0.20 -0.64 115.29 129.28 2k70 s HIS 46 Ca 0.43 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2k70 s HIS 46 Cb -0.14 -0.93 0.10 0.00 1.11 0.00 0.00 32.58 32.72 2k70 s HIS 46 CO 0.09 0.27 0.88 -1.83 -0.85 0.00 0.00 174.74 173.30 2k70 s GLU 47 N -2.41 2.02 -0.14 1.40 -1.05 0.18 -1.52 118.70 117.18 2k70 s GLU 47 Ca 0.11 -1.29 -0.22 0.00 -0.15 0.00 0.00 54.97 53.43 2k70 s GLU 47 Cb -0.08 -2.48 0.05 0.00 -0.44 0.00 0.00 34.13 31.19 2k70 s GLU 47 CO 0.05 -1.13 0.56 0.99 0.95 0.00 0.00 175.26 176.69 2k70 s THR 48 N -2.90 0.01 0.20 1.83 2.01 0.63 -3.43 115.64 113.98 2k70 s THR 48 Ca 0.63 -0.07 -0.22 0.00 0.31 0.00 0.00 61.69 62.34 2k70 s THR 48 Cb -0.06 -0.82 0.05 0.00 0.01 0.00 0.00 72.50 71.68 2k70 s THR 48 CO 0.41 -0.04 0.64 0.72 -0.69 0.00 0.00 174.62 175.67 2k70 s PHE 49 N -0.33 -0.42 0.25 4.92 -0.12 -0.45 -4.37 117.98 117.46 2k70 s PHE 49 Ca -0.05 0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 56.76 2k70 s PHE 49 Cb -0.03 0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 42.88 2k70 s PHE 49 CO 0.04 -0.98 0.76 0.00 -0.05 0.00 0.00 175.22 174.98 2k70 s MET 50 N -3.80 4.26 -0.09 1.99 0.23 -1.26 -1.03 119.30 119.60 2k70 s MET 50 Ca 0.04 0.91 -0.24 0.00 -1.03 0.00 0.00 55.69 55.37 2k70 s MET 50 Cb -0.03 -2.80 0.05 0.00 -1.53 0.00 0.00 34.83 30.53 2k70 s MET 50 CO -0.06 0.34 0.56 0.50 -2.03 0.00 0.00 175.02 174.33 2k70 s ARG 51 N -2.14 0.86 -0.05 3.16 3.00 -0.22 -4.87 118.95 118.69 2k70 s ARG 51 Ca 0.46 0.30 -0.01 0.00 -1.00 0.00 0.00 55.73 55.48 2k70 s ARG 51 Cb -0.16 0.40 -0.04 0.00 0.00 0.00 0.00 34.95 35.16 2k70 s ARG 51 CO 0.21 -0.23 0.04 -2.00 0.00 0.00 0.00 175.30 173.32 2k70 s GLU 52 N -0.81 3.02 -0.08 5.12 2.56 -1.26 -0.19 118.70 127.06 2k70 s GLU 52 Ca -0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 54.97 54.40 2k70 s GLU 52 Cb -0.02 -2.83 0.03 0.00 2.00 0.00 0.00 34.13 33.31 2k70 s GLU 52 CO 0.06 0.68 0.19 0.08 -0.56 0.00 0.00 175.26 175.71 2k70 s VAL 53 N -1.02 -0.03 0.00 3.70 1.01 0.29 -4.86 120.40 119.50 2k70 s VAL 53 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2k70 s VAL 53 Cb -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2k70 s VAL 53 CO 0.07 0.04 0.00 -0.62 0.00 0.00 0.00 175.10 174.59 2k70 n GLU 54 N 3.78 -0.13 -0.76 2.72 1.02 -1.26 -0.98 120.64 125.03 2k70 n GLU 54 Ca -0.21 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2k70 n GLU 54 Cb 0.55 -3.71 0.00 0.00 -0.02 0.00 0.00 31.44 28.26 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 -1.86 0.54 3.25 0.62 0.00 -1.26 -5.08 105.19 101.40 2k70 n GLY 55 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.31 2.52 0.17 1.61 1.02 -0.15 -5.09 119.74 118.50 2k70 s LYS 56 Ca 0.00 -0.88 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 2k70 s LYS 56 Cb 0.00 -2.12 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 2k70 s LYS 56 CO 0.00 0.35 0.68 -1.59 -0.92 0.00 0.00 175.35 173.87 2k70 s LYS 57 N -0.10 4.29 0.19 1.68 -2.85 -1.26 -0.55 119.74 121.14 2k70 s LYS 57 Ca -0.05 0.87 -0.01 0.00 -1.00 0.00 0.00 55.97 55.78 2k70 s LYS 57 Cb -0.14 -3.06 -0.04 0.00 -2.06 0.00 0.00 37.83 32.53 2k70 s LYS 57 CO 0.04 0.50 0.13 0.08 0.10 0.00 0.00 175.35 176.20 2k70 s VAL 58 N -1.33 0.01 -0.03 1.79 1.01 0.73 -4.97 120.40 117.60 2k70 s VAL 58 Ca 0.37 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.43 2k70 s VAL 58 Cb -0.19 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2k70 s VAL 58 CO 0.22 -0.04 -0.21 -0.04 0.00 0.00 0.00 175.10 175.03 2k70 s MET 59 N -4.15 2.30 0.45 2.72 -1.94 -1.26 -1.06 119.30 116.36 2k70 s MET 59 Ca 0.37 -0.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 2k70 s MET 59 Cb 0.07 -2.20 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 2k70 s MET 59 CO 0.11 0.58 0.11 0.41 -0.01 0.00 0.00 175.02 176.23 2k70 n GLY 60 N 2.40 3.29 3.34 -0.03 0.00 -0.19 -4.97 105.19 109.03 2k70 n GLY 60 Ca -0.17 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.53 2k70 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k70 s MET 61 N -3.67 0.66 0.06 1.61 1.75 -1.26 -1.35 119.30 117.10 2k70 s MET 61 Ca 0.16 0.31 -0.08 0.00 -1.25 0.00 0.00 55.69 54.82 2k70 s MET 61 Cb 0.01 0.31 -0.00 0.00 2.84 0.00 0.00 34.83 37.99 2k70 s MET 61 CO 0.11 -0.15 0.17 1.03 -0.65 0.00 0.00 175.02 175.54 2k70 s ARG 62 N -0.50 0.73 0.62 4.11 0.52 -1.22 -5.00 118.95 118.20 2k70 s ARG 62 Ca -0.06 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 2k70 s ARG 62 Cb -0.03 0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 2k70 s ARG 62 CO 0.03 -0.21 1.05 -1.25 0.02 0.00 0.00 175.30 174.94 2k70 s PRO 63 N -3.11 3.24 0.03 3.54 0.04 -1.26 -0.65 135.00 136.84 2k70 s PRO 63 Ca -0.01 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2k70 s PRO 63 Cb 0.02 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2k70 s PRO 63 CO -0.07 -0.86 -0.04 0.14 0.04 0.00 0.00 177.00 176.21 2k70 s VAL 64 N -2.65 0.23 0.19 -0.36 -7.23 0.18 -4.74 120.40 106.02 2k70 s VAL 64 Ca 0.61 -1.14 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 2k70 s VAL 64 Cb -0.15 -0.60 -0.07 0.00 0.56 0.00 0.00 36.38 36.12 2k70 s VAL 64 CO 0.42 -0.58 1.51 1.55 -0.31 0.00 0.00 175.10 177.68 2k70 h PRO 65 N 4.29 0.00 -1.56 4.82 0.13 -1.95 -3.43 132.00 134.29 2k70 h PRO 65 Ca -0.33 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.07 2k70 h PRO 65 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2k70 h PRO 65 CO 0.46 0.71 0.78 -0.59 -0.23 0.00 0.00 178.00 179.14 2k70 s PHE 66 N -3.28 -0.10 0.16 1.56 -0.12 -1.26 -4.68 117.98 110.27 2k70 s PHE 66 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 56.93 56.94 2k70 s PHE 66 Cb 0.11 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 2k70 s PHE 66 CO 0.77 -0.30 0.03 -0.51 -0.05 0.00 0.00 175.22 175.16 2k70 s LEU 67 N -2.63 3.44 0.06 -1.99 1.43 0.02 -4.97 118.68 114.04 2k70 s LEU 67 Ca 0.12 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2k70 s LEU 67 Cb 0.02 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2k70 s LEU 67 CO -0.04 0.10 -0.12 -0.70 0.23 0.00 0.00 176.35 175.82 2k70 s GLU 68 N -2.90 2.19 -0.01 1.70 2.56 -1.26 -0.41 118.70 120.57 2k70 s GLU 68 Ca 0.28 -0.95 -0.01 0.00 0.00 0.00 0.00 54.97 54.29 2k70 s GLU 68 Cb -0.10 -2.31 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2k70 s GLU 68 CO 0.20 0.54 0.03 0.08 -0.56 0.00 0.00 175.26 175.54 2k70 s VAL 69 N -1.08 0.00 0.39 3.70 1.01 0.80 -4.98 120.40 120.24 2k70 s VAL 69 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2k70 s VAL 69 Cb -0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 2k70 s VAL 69 CO 0.10 -0.01 0.71 -2.16 0.00 0.00 0.00 175.10 173.74 2k70 s PRO 70 N -0.02 3.69 0.42 2.72 0.04 -1.26 -1.39 135.00 139.19 2k70 s PRO 70 Ca -0.00 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.06 2k70 s PRO 70 Cb -0.00 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 2k70 s PRO 70 CO 0.00 -0.00 1.33 -1.25 0.04 0.00 0.00 177.00 177.12 2k70 s PRO 71 N -3.96 3.88 0.00 0.56 0.04 -1.26 -2.88 135.00 131.38 2k70 s PRO 71 Ca 0.48 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2k70 s PRO 71 Cb -0.10 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2k70 s PRO 71 CO 0.34 -0.59 0.00 1.63 0.04 0.00 0.00 177.00 178.42 2k70 n LYS 72 N 0.03 0.00 -1.84 4.56 4.76 0.29 -4.98 118.16 120.97 2k70 n LYS 72 Ca 0.04 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.17 2k70 n LYS 72 Cb 0.43 -3.07 0.02 0.00 -1.84 0.00 0.00 35.03 30.57 2k70 n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k70 s GLY 73 N -2.00 1.65 -0.02 0.72 0.00 -1.14 -4.84 107.32 101.69 2k70 s GLY 73 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.65 2k70 s GLY 73 CO 0.00 0.17 -0.19 1.09 0.00 0.00 0.00 173.10 174.17 2k70 s ARG 74 N -5.20 2.28 -0.07 2.90 1.70 -1.26 -1.52 118.95 117.78 2k70 s ARG 74 Ca 0.56 -0.83 -0.11 0.00 -0.47 0.00 0.00 55.73 54.88 2k70 s ARG 74 Cb -0.11 -2.22 0.02 0.00 -0.57 0.00 0.00 34.95 32.07 2k70 s ARG 74 CO 0.54 0.59 0.29 0.08 -1.08 0.00 0.00 175.30 175.71 2k70 s VAL 75 N -0.72 0.03 0.13 4.99 1.01 0.11 -5.00 120.40 120.95 2k70 s VAL 75 Ca 0.11 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 61.99 2k70 s VAL 75 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2k70 s VAL 75 CO 0.01 -0.11 -0.25 -1.61 0.00 0.00 0.00 175.10 173.14 2k70 s GLU 76 N -0.43 1.49 -0.84 2.72 8.01 -1.26 -0.24 118.70 128.15 2k70 s GLU 76 Ca -0.05 -1.34 -0.25 0.00 0.01 0.00 0.00 54.97 53.34 2k70 s GLU 76 Cb -0.04 -1.94 -0.18 0.00 -4.31 0.00 0.00 34.13 27.66 2k70 s GLU 76 CO 0.02 0.45 1.90 1.28 0.01 0.00 0.00 175.26 178.92 2k70 n LEU 77 N 0.81 2.75 -4.76 1.80 4.32 0.58 -4.81 117.00 117.69 2k70 n LEU 77 Ca -0.17 -2.69 -0.40 0.00 -0.02 0.00 0.00 56.01 52.73 2k70 n LEU 77 Cb 0.53 -1.34 -0.04 0.00 -1.62 0.00 0.00 43.42 40.95 2k70 n LEU 77 CO 0.25 -1.72 0.78 -1.59 -1.22 0.00 0.00 177.39 173.89 2k70 s LYS 78 N 6.45 4.61 0.39 3.23 -2.85 -1.02 -2.44 119.74 128.12 2k70 s LYS 78 Ca 0.67 1.76 0.11 0.00 -1.00 0.00 0.00 55.97 57.51 2k70 s LYS 78 Cb 0.06 -3.14 0.89 0.00 -2.06 0.00 0.00 37.83 33.58 2k70 s LYS 78 CO 0.18 0.20 1.93 -1.00 0.10 0.00 0.00 175.35 176.76 2k70 h PRO 79 N 3.72 0.57 0.00 1.78 0.13 -1.93 -0.25 132.00 136.03 2k70 h PRO 79 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k70 h PRO 79 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k70 h PRO 79 CO 0.67 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 2k70 n GLY 80 N -1.48 -0.98 0.00 1.56 0.00 -1.26 -4.66 105.19 98.37 2k70 n GLY 80 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.63 0.19 3.10 -0.02 0.00 -0.26 -4.74 105.19 104.09 2k70 n GLY 81 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.13 0.07 1.61 2.02 -0.28 -0.27 117.35 120.36 2k70 s TYR 82 Ca 0.00 0.30 -0.26 0.00 -0.37 0.00 0.00 57.07 56.74 2k70 s TYR 82 Cb 0.00 0.04 0.08 0.00 -0.40 0.00 0.00 41.96 41.68 2k70 s TYR 82 CO 0.00 -0.18 0.71 -3.38 -1.57 0.00 0.00 175.55 171.13 2k70 s HIS 83 N -0.45 -0.50 0.16 2.71 -3.43 -0.57 -2.44 115.29 110.76 2k70 s HIS 83 Ca -0.05 0.45 -0.27 0.00 -0.80 0.00 0.00 55.06 54.39 2k70 s HIS 83 Cb -0.04 0.52 -0.08 0.00 -1.43 0.00 0.00 32.58 31.56 2k70 s HIS 83 CO 0.01 -0.71 0.82 -0.06 -2.00 0.00 0.00 174.74 172.81 2k70 s PHE 84 N -3.02 3.89 0.12 0.38 0.08 -0.73 -1.03 117.98 117.67 2k70 s PHE 84 Ca -0.00 1.68 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 2k70 s PHE 84 Cb -0.01 -2.85 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 2k70 s PHE 84 CO -0.07 0.44 0.99 1.41 -0.10 0.00 0.00 175.22 177.88 2k70 s MET 85 N -0.88 4.68 -0.15 0.44 1.75 0.98 -0.35 119.30 125.78 2k70 s MET 85 Ca 0.38 1.50 0.01 0.00 -1.25 0.00 0.00 55.69 56.33 2k70 s MET 85 Cb -0.23 -3.36 -0.00 0.00 2.84 0.00 0.00 34.83 34.08 2k70 s MET 85 CO 0.27 0.19 -0.16 -0.51 -0.65 0.00 0.00 175.02 174.16 2k70 s LEU 86 N -0.05 2.45 -0.11 4.11 1.02 -0.21 -0.79 118.68 125.10 2k70 s LEU 86 Ca 0.47 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 54.07 2k70 s LEU 86 Cb -0.24 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.45 2k70 s LEU 86 CO 0.31 0.09 0.27 -0.22 0.02 0.00 0.00 176.35 176.82 2k70 s LEU 87 N 0.77 0.73 -0.11 1.79 0.20 0.33 -0.39 118.68 122.00 2k70 s LEU 87 Ca -0.06 0.56 -0.00 0.00 0.69 0.00 0.00 54.13 55.32 2k70 s LEU 87 Cb -0.15 0.89 0.00 0.00 -0.43 0.00 0.00 46.19 46.50 2k70 s LEU 87 CO 0.01 -0.12 0.09 0.61 -0.29 0.00 0.00 176.35 176.64 2k70 n GLY 88 N 3.43 0.49 3.50 7.98 0.00 -0.15 -0.93 105.19 119.51 2k70 n GLY 88 Ca -0.17 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2k70 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k70 n LEU 89 N -1.17 1.40 -0.48 0.99 4.77 -1.16 -2.11 117.00 119.23 2k70 n LEU 89 Ca -0.02 0.73 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 2k70 n LEU 89 Cb 0.51 -1.22 0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2k70 n LEU 89 CO 0.05 -2.82 0.37 0.29 -1.33 0.00 0.00 177.39 173.95 2k70 n LYS 90 N -0.36 1.48 -3.66 3.23 4.76 -1.26 -4.85 118.16 117.50 2k70 n LYS 90 Ca 0.12 -1.10 -0.13 0.00 -2.87 0.00 0.00 58.31 54.33 2k70 n LYS 90 Cb 0.48 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.34 2k70 n LYS 90 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k70 s ARG 91 N -1.56 0.91 -0.77 1.97 1.70 -1.26 -5.04 118.95 114.91 2k70 s ARG 91 Ca 0.15 -0.33 -0.25 0.00 -0.47 0.00 0.00 55.73 54.83 2k70 s ARG 91 Cb 0.13 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2k70 s ARG 91 CO 0.29 -0.31 1.88 -1.25 -1.08 0.00 0.00 175.30 174.82 2k70 s PRO 92 N -2.36 2.63 0.56 3.89 0.04 -1.26 -4.97 135.00 133.53 2k70 s PRO 92 Ca -0.06 0.08 -0.04 0.00 0.04 0.00 0.00 61.00 61.02 2k70 s PRO 92 Cb -0.01 -4.75 0.01 0.00 0.04 0.00 0.00 34.50 29.78 2k70 s PRO 92 CO -0.02 -3.03 0.84 -0.48 0.04 0.00 0.00 177.00 174.36 2k70 s LEU 93 N 9.37 3.33 0.16 -3.56 0.05 -1.26 -5.10 118.68 121.67 2k70 s LEU 93 Ca 0.67 0.58 -0.08 0.00 0.05 0.00 0.00 54.13 55.36 2k70 s LEU 93 Cb -0.09 -3.42 -0.01 0.00 -2.05 0.00 0.00 46.19 40.61 2k70 s LEU 93 CO 0.09 -0.99 0.26 -0.54 -0.55 0.00 0.00 176.35 174.62 2k70 s LYS 94 N -4.88 1.13 -0.09 1.48 1.02 -1.26 -4.92 119.74 112.22 2k70 s LYS 94 Ca 0.53 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 2k70 s LYS 94 Cb -0.10 0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.52 2k70 s LYS 94 CO 0.43 -0.40 1.68 0.00 -0.92 0.00 0.00 175.35 176.14 2k70 s ALA 95 N -3.98 3.51 0.00 5.17 0.00 -1.26 -3.00 121.76 122.20 2k70 s ALA 95 Ca 0.18 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2k70 s ALA 95 Cb 0.04 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2k70 s ALA 95 CO 0.00 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.59 2k70 n GLY 96 N 4.33 1.02 2.10 0.00 0.00 -0.52 -5.03 105.19 107.09 2k70 n GLY 96 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.91 -0.24 -3.86 1.61 1.02 -1.16 -4.90 120.64 111.20 2k70 n GLU 97 Ca 0.00 -1.30 -0.10 0.00 -0.02 0.00 0.00 57.16 55.75 2k70 n GLU 97 Cb 0.00 -0.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.79 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 -4.22 0.72 -0.23 3.49 0.41 -1.26 -0.21 118.70 117.40 2k70 s GLU 98 Ca 0.38 -0.73 -0.12 0.00 -0.41 0.00 0.00 54.97 54.09 2k70 s GLU 98 Cb -0.02 0.30 0.08 0.00 -1.78 0.00 0.00 34.13 32.71 2k70 s GLU 98 CO 0.26 -0.21 0.55 0.08 -0.49 0.00 0.00 175.26 175.46 2k70 s VAL 99 N -2.92 -0.17 -0.11 2.63 1.01 -1.08 -4.87 120.40 114.89 2k70 s VAL 99 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 2k70 s VAL 99 Cb 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2k70 s VAL 99 CO -0.06 0.02 0.48 -0.70 0.00 0.00 0.00 175.10 174.84 2k70 s GLU 100 N 1.77 4.32 -0.09 2.72 2.12 -1.26 -1.50 118.70 126.78 2k70 s GLU 100 Ca -0.09 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.71 2k70 s GLU 100 Cb -0.08 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2k70 s GLU 100 CO -0.16 0.19 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.48 2k70 s LEU 101 N 0.52 3.00 0.30 2.70 0.20 0.18 -4.23 118.68 121.34 2k70 s LEU 101 Ca 0.26 -0.13 -0.13 0.00 0.69 0.00 0.00 54.13 54.82 2k70 s LEU 101 Cb -0.15 -1.66 -0.08 0.00 -0.43 0.00 0.00 46.19 43.87 2k70 s LEU 101 CO 0.11 0.30 0.68 -1.81 -0.29 0.00 0.00 176.35 175.33 2k70 s ASP 102 N -0.42 6.71 -0.05 3.68 1.01 0.40 -0.29 116.67 127.71 2k70 s ASP 102 Ca 0.06 1.16 0.05 0.00 0.71 0.00 0.00 52.55 54.53 2k70 s ASP 102 Cb -0.12 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 2k70 s ASP 102 CO 0.02 -0.18 -0.20 -0.76 0.21 0.00 0.00 175.17 174.27 2k70 s LEU 103 N -2.99 1.96 -0.23 1.23 1.02 0.53 -0.99 118.68 119.20 2k70 s LEU 103 Ca 0.52 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 2k70 s LEU 103 Cb -0.10 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.99 2k70 s LEU 103 CO 0.19 0.17 -0.04 -0.76 0.02 0.00 0.00 176.35 175.93 2k70 s LEU 104 N 0.05 3.04 0.10 1.79 1.43 -0.20 -2.36 118.68 122.53 2k70 s LEU 104 Ca -0.06 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2k70 s LEU 104 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2k70 s LEU 104 CO 0.03 -0.07 -0.09 -0.36 0.23 0.00 0.00 176.35 176.10 2k70 s PHE 105 N 1.43 2.78 0.62 0.29 0.08 -0.85 -0.85 117.98 121.48 2k70 s PHE 105 Ca 0.04 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.77 2k70 s PHE 105 Cb -0.15 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2k70 s PHE 105 CO -0.03 0.43 1.24 0.00 -0.10 0.00 0.00 175.22 176.76 2k70 n ALA 106 N 0.74 1.04 -1.02 5.36 0.00 -0.27 -3.39 120.51 122.97 2k70 n ALA 106 Ca -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2k70 n ALA 106 Cb 0.52 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 0.96 0.47 1.37 0.00 0.00 -1.26 -4.39 105.19 102.36 2k70 n GLY 107 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.50 0.52 3.04 -0.02 0.00 -1.22 -5.12 105.19 99.90 2k70 n GLY 108 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2k70 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 109 N -2.92 0.52 0.02 1.61 3.01 -1.23 -5.07 119.74 115.69 2k70 s LYS 109 Ca 0.00 -0.63 0.01 0.00 -1.01 0.00 0.00 55.97 54.33 2k70 s LYS 109 Cb 0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 37.83 36.46 2k70 s LYS 109 CO 0.00 0.07 -0.04 0.08 0.51 0.00 0.00 175.35 175.97 2k70 s VAL 110 N -1.09 0.25 0.22 3.17 1.01 -1.26 -2.01 120.40 120.69 2k70 s VAL 110 Ca -0.07 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2k70 s VAL 110 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2k70 s VAL 110 CO 0.00 -0.29 0.29 -0.22 0.00 0.00 0.00 175.10 174.88 2k70 s LEU 111 N -1.03 0.78 0.03 3.92 2.96 -0.99 -4.99 118.68 119.37 2k70 s LEU 111 Ca -0.09 -1.17 0.05 0.00 -0.22 0.00 0.00 54.13 52.70 2k70 s LEU 111 Cb -0.07 1.01 -0.02 0.00 0.50 0.00 0.00 46.19 47.61 2k70 s LEU 111 CO -0.00 -0.97 -0.16 -0.54 -1.32 0.00 0.00 176.35 173.36 2k70 s LYS 112 N -4.09 1.08 0.19 1.98 1.02 -1.26 -0.35 119.74 118.31 2k70 s LYS 112 Ca 0.31 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2k70 s LYS 112 Cb 0.04 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 2k70 s LYS 112 CO 0.10 0.28 -0.06 0.14 -0.92 0.00 0.00 175.35 174.89 2k70 s VAL 113 N -0.76 1.19 -0.00 3.17 -7.23 0.60 -0.96 120.40 116.41 2k70 s VAL 113 Ca 0.04 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 2k70 s VAL 113 Cb -0.08 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2k70 s VAL 113 CO 0.01 -0.55 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.32 2k70 s VAL 114 N -3.32 1.95 -0.27 1.32 1.01 -1.26 -0.65 120.40 119.18 2k70 s VAL 114 Ca 0.22 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2k70 s VAL 114 Cb 0.04 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.94 2k70 s VAL 114 CO 0.05 0.48 0.42 -0.76 0.00 0.00 0.00 175.10 175.29 2k70 s LEU 115 N -0.76 -0.82 0.60 3.92 1.43 -0.56 -4.76 118.68 117.73 2k70 s LEU 115 Ca 0.10 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 2k70 s LEU 115 Cb -0.09 1.27 -0.03 0.00 0.03 0.00 0.00 46.19 47.36 2k70 s LEU 115 CO -0.00 -0.31 1.22 -2.16 0.23 0.00 0.00 176.35 175.33 2k70 s PRO 116 N 2.59 2.93 -0.32 1.29 0.04 -1.26 -2.64 135.00 137.63 2k70 s PRO 116 Ca 0.12 1.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 2k70 s PRO 116 Cb -0.14 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2k70 s PRO 116 CO -0.22 -1.25 0.57 0.08 0.04 0.00 0.00 177.00 176.22 2k70 s VAL 117 N -1.56 4.98 -0.03 -0.36 1.01 0.71 -0.44 120.40 124.71 2k70 s VAL 117 Ca 0.78 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 2k70 s VAL 117 Cb -0.32 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2k70 s VAL 117 CO 0.34 -0.14 0.47 -1.61 0.00 0.00 0.00 175.10 174.16 2k70 s GLU 118 N 2.50 0.83 -0.68 2.72 0.41 -0.49 -1.44 118.70 122.54 2k70 s GLU 118 Ca 0.22 0.00 -0.09 0.00 -0.41 0.00 0.00 54.97 54.70 2k70 s GLU 118 Cb -0.15 0.38 0.18 0.00 -1.78 0.00 0.00 34.13 32.76 2k70 s GLU 118 CO 0.12 -0.24 0.56 0.00 -0.49 0.00 0.00 175.26 175.21 2k70 s ALA 119 N -1.25 3.76 -1.02 5.21 0.00 -1.26 -0.63 121.76 126.57 2k70 s ALA 119 Ca -0.12 -3.16 0.08 0.00 0.00 0.00 0.00 51.96 48.76 2k70 s ALA 119 Cb -0.03 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.10 2k70 s ALA 119 CO 0.07 -2.14 0.76 0.54 0.00 0.00 0.00 175.76 174.98