#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc0 n GLY 15 N 0.00 -0.05 0.35 0.00 0.00 -1.26 -2.49 105.19 101.74 2kc0 n GLY 15 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kc0 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kc0 h LEU 16 N 0.00 0.90 -0.23 0.99 3.38 -1.97 -2.26 115.31 116.12 2kc0 h LEU 16 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2kc0 h LEU 16 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2kc0 h LEU 16 CO 0.00 0.66 0.03 0.00 0.09 0.00 0.00 178.44 179.22 2kc0 h ALA 17 N 1.50 0.31 -0.25 1.53 0.00 -1.68 -3.07 119.26 117.60 2kc0 h ALA 17 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kc0 h ALA 17 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2kc0 h ALA 17 CO -0.06 0.00 0.14 0.22 0.00 0.00 0.00 179.25 179.55 2kc0 h ASP 18 N 0.19 0.22 0.26 0.00 1.82 -1.74 -0.22 116.42 116.94 2kc0 h ASP 18 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2kc0 h ASP 18 Cb 0.35 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2kc0 h ASP 18 CO 0.01 0.16 0.00 0.00 -1.61 0.00 0.00 179.24 177.80 2kc0 h ALA 19 N 1.11 1.00 0.01 -0.78 0.00 -1.48 0.44 119.26 119.56 2kc0 h ALA 19 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.62 2kc0 h ALA 19 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2kc0 h ALA 19 CO -0.05 0.00 -2.43 1.28 0.00 0.00 0.00 179.25 178.04 2kc0 n LEU 20 N -2.39 2.47 0.04 0.00 7.99 -0.53 -4.59 117.00 120.00 2kc0 n LEU 20 Ca -0.01 -0.10 -0.02 0.00 -0.01 0.00 0.00 56.01 55.88 2kc0 n LEU 20 Cb 0.11 -0.69 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 2kc0 n LEU 20 CO 0.14 0.86 -0.19 0.71 -1.51 0.00 0.00 177.39 177.40 2kc0 h THR 21 N 0.00 0.71 -1.93 -5.08 1.35 -0.96 -3.45 112.91 103.55 2kc0 h THR 21 Ca -0.56 -2.27 -0.62 0.00 -0.55 0.00 0.00 66.41 62.41 2kc0 h THR 21 Cb 1.96 2.22 -0.13 0.00 -1.73 0.00 0.00 68.15 70.47 2kc0 h THR 21 CO -0.06 0.40 -0.67 0.00 -0.25 0.00 0.00 175.52 174.94 2kc0 s ALA 22 N -2.85 2.97 1.03 6.62 0.00 0.13 -5.09 121.76 124.57 2kc0 s ALA 22 Ca -0.02 -2.12 -0.14 0.00 0.00 0.00 0.00 51.96 49.69 2kc0 s ALA 22 Cb 0.08 -0.01 0.20 0.00 0.00 0.00 0.00 23.12 23.40 2kc0 s ALA 22 CO 0.81 0.05 1.11 -1.25 0.00 0.00 0.00 175.76 176.47 2kc0 s PRO 23 N -3.63 0.21 0.00 0.00 0.04 -1.26 -4.50 135.00 125.86 2kc0 s PRO 23 Ca 0.33 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2kc0 s PRO 23 Cb 0.04 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2kc0 s PRO 23 CO 0.17 -2.84 0.00 -0.11 0.04 0.00 0.00 177.00 174.25 2kc0 n LEU 24 N -4.22 0.00 -3.76 -3.56 -0.00 -1.26 -4.81 117.00 99.38 2kc0 n LEU 24 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.01 2kc0 n LEU 24 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.98 2kc0 n LEU 24 CO 0.55 -0.43 0.55 -0.62 -0.00 0.00 0.00 177.39 177.44 2kc0 s ASP 25 N -3.63 -0.27 -0.01 1.96 2.15 -1.26 -4.99 116.67 110.62 2kc0 s ASP 25 Ca 0.00 -0.45 0.06 0.00 0.43 0.00 0.00 52.55 52.60 2kc0 s ASP 25 Cb 0.00 0.62 -0.09 0.00 -0.30 0.00 0.00 42.92 43.15 2kc0 s ASP 25 CO 0.00 -1.13 0.17 0.00 -0.17 0.00 0.00 175.17 174.04 2kc0 n HIS 26 N -0.44 0.00 0.00 -5.34 1.44 -1.26 -4.95 115.22 104.67 2kc0 n HIS 26 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2kc0 n HIS 26 Cb 0.60 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2kc0 n LYS 27 N -1.59 0.00 0.00 -1.40 2.85 -1.26 -5.06 118.16 111.70 2kc0 n LYS 27 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2kc0 n LYS 27 Cb 0.15 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kc0 n ASP 28 N -0.00 0.00 -0.68 -5.58 2.03 -1.26 -1.40 116.55 109.67 2kc0 n ASP 28 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2kc0 n ASP 28 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 2kc0 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 29 N 1.59 1.70 0.00 -0.67 4.76 -1.26 -5.05 118.16 119.23 2kc0 n LYS 29 Ca 0.00 -3.10 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 2kc0 n LYS 29 Cb 0.00 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kc0 n GLY 30 N -1.14 -0.57 3.89 0.72 0.00 -0.49 -5.13 105.19 102.47 2kc0 n GLY 30 Ca 0.23 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2kc0 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kc0 s LEU 31 N 0.00 4.36 0.00 0.99 0.20 -1.26 -4.81 118.68 118.17 2kc0 s LEU 31 Ca 0.00 0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.23 2kc0 s LEU 31 Cb 0.00 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.45 2kc0 s LEU 31 CO 0.00 0.34 0.10 0.00 -0.29 0.00 0.00 176.35 176.50 2kc0 n GLN 32 N 1.51 0.00 -3.70 1.98 -0.00 -1.26 -4.92 117.38 110.99 2kc0 n GLN 32 Ca -0.16 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.00 56.69 2kc0 n GLN 32 Cb 0.54 -0.03 -0.06 0.00 -0.00 0.00 0.00 30.24 30.68 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kc0 s SER 33 N -0.01 -0.17 -0.39 2.61 1.04 -1.26 -0.57 113.70 114.95 2kc0 s SER 33 Ca 0.00 -0.27 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 2kc0 s SER 33 Cb 0.00 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2kc0 s SER 33 CO 0.00 -0.74 0.57 -0.22 0.98 0.00 0.00 173.24 173.83 2kc0 s LEU 34 N -2.48 4.45 0.09 2.42 1.98 -0.66 -4.85 118.68 119.64 2kc0 s LEU 34 Ca -0.00 -0.20 -0.31 0.00 -2.89 0.00 0.00 54.13 50.73 2kc0 s LEU 34 Cb 0.01 -2.64 -0.07 0.00 0.66 0.00 0.00 46.19 44.15 2kc0 s LEU 34 CO -0.08 -0.62 1.25 0.42 -1.89 0.00 0.00 176.35 175.43 2kc0 s THR 35 N 2.57 3.76 -0.43 3.68 -4.23 -1.26 -0.77 115.64 118.96 2kc0 s THR 35 Ca 0.20 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 2kc0 s THR 35 Cb -0.15 -3.83 0.41 0.00 1.34 0.00 0.00 72.50 70.27 2kc0 s THR 35 CO 0.16 0.12 1.88 0.18 -0.54 0.00 0.00 174.62 176.41 2kc0 n LEU 36 N 3.72 6.54 -0.53 4.79 4.32 -0.97 -4.83 117.00 130.04 2kc0 n LEU 36 Ca 0.09 -3.49 0.45 0.00 -0.02 0.00 0.00 56.01 53.04 2kc0 n LEU 36 Cb 0.45 -0.90 0.78 0.00 -1.62 0.00 0.00 43.42 42.13 2kc0 n LEU 36 CO 0.56 1.16 1.41 0.44 -1.22 0.00 0.00 177.39 179.74 2kc0 h ASP 37 N 1.31 0.02 0.00 -1.43 5.19 -1.93 -1.35 116.42 118.22 2kc0 h ASP 37 Ca 0.47 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.73 2kc0 h ASP 37 Cb 1.54 0.01 -0.28 0.00 0.18 0.00 0.00 39.33 40.78 2kc0 h ASP 37 CO 1.03 -0.01 -0.77 0.00 -3.12 0.00 0.00 179.24 176.38 2kc0 n GLN 38 N -4.08 0.00 0.07 3.56 -0.00 -1.26 -4.90 117.38 110.77 2kc0 n GLN 38 Ca 0.36 -1.60 -0.15 0.00 -0.00 0.00 0.00 57.00 55.61 2kc0 n GLN 38 Cb 1.66 0.10 -0.06 0.00 -0.00 0.00 0.00 30.24 31.93 2kc0 n GLN 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kc0 h SER 39 N 0.63 0.60 -4.48 2.61 4.64 -1.61 -3.48 113.55 112.47 2kc0 h SER 39 Ca -0.30 -0.49 -0.14 0.00 -0.47 0.00 0.00 61.79 60.39 2kc0 h SER 39 Cb 1.71 -0.18 -0.22 0.00 -0.31 0.00 0.00 62.40 63.39 2kc0 h SER 39 CO -0.01 1.30 -0.38 0.54 -0.87 0.00 0.00 176.83 177.41 2kc0 s VAL 40 N -3.23 0.04 0.63 0.95 0.11 -1.26 -5.16 120.40 112.48 2kc0 s VAL 40 Ca -0.06 -0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 58.50 2kc0 s VAL 40 Cb 0.08 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2kc0 s VAL 40 CO 0.88 -0.17 1.21 -0.13 -3.33 0.00 0.00 175.10 173.56 2kc0 s ARG 41 N -0.69 2.74 0.00 1.54 3.00 -1.26 -4.87 118.95 119.41 2kc0 s ARG 41 Ca -0.08 1.81 0.11 0.00 0.00 0.00 0.00 55.73 57.58 2kc0 s ARG 41 Cb -0.04 -1.90 0.64 0.00 0.00 0.00 0.00 34.95 33.65 2kc0 s ARG 41 CO 0.02 -1.38 1.11 1.63 0.00 0.00 0.00 175.30 176.68 2kc0 n LYS 42 N -1.91 0.32 -0.02 3.54 5.02 -1.26 -1.33 118.16 122.51 2kc0 n LYS 42 Ca 0.14 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2kc0 n LYS 42 Cb 0.50 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kc0 n ASN 43 N -1.04 1.70 -4.90 4.39 3.02 -1.26 -4.71 115.26 112.46 2kc0 n ASN 43 Ca 0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 2kc0 n ASN 43 Cb 0.04 1.41 0.02 0.00 -0.61 0.00 0.00 39.78 40.64 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kc0 s GLU 44 N -2.80 3.27 -0.06 3.52 2.02 -0.45 -4.76 118.70 119.45 2kc0 s GLU 44 Ca -0.06 0.31 0.06 0.00 0.02 0.00 0.00 54.97 55.31 2kc0 s GLU 44 Cb 0.08 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 2kc0 s GLU 44 CO 0.58 -0.56 -0.24 0.21 0.02 0.00 0.00 175.26 175.27 2kc0 s LYS 45 N -5.02 2.46 0.00 1.61 2.20 0.23 -4.37 119.74 116.85 2kc0 s LYS 45 Ca 0.53 -0.87 0.06 0.00 -0.36 0.00 0.00 55.97 55.33 2kc0 s LYS 45 Cb -0.11 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 2kc0 s LYS 45 CO 0.48 0.37 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.48 2kc0 s LEU 46 N -0.15 2.08 -0.12 5.43 0.20 -0.09 -0.27 118.68 125.76 2kc0 s LEU 46 Ca -0.03 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.41 2kc0 s LEU 46 Cb -0.13 -0.96 0.01 0.00 -0.43 0.00 0.00 46.19 44.67 2kc0 s LEU 46 CO 0.03 0.21 -0.20 -0.75 -0.29 0.00 0.00 176.35 175.35 2kc0 s LYS 47 N -0.67 2.71 0.24 1.98 2.20 0.07 -0.71 119.74 125.55 2kc0 s LYS 47 Ca 0.07 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 2kc0 s LYS 47 Cb -0.08 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 2kc0 s LYS 47 CO 0.00 0.00 0.44 -0.51 -0.36 0.00 0.00 175.35 174.92 2kc0 s LEU 48 N 0.79 4.17 -0.25 5.43 2.01 0.06 -1.07 118.68 129.82 2kc0 s LEU 48 Ca -0.09 0.46 -0.20 0.00 0.01 0.00 0.00 54.13 54.32 2kc0 s LEU 48 Cb -0.16 -3.25 0.07 0.00 0.01 0.00 0.00 46.19 42.86 2kc0 s LEU 48 CO 0.00 -0.10 0.65 0.00 1.01 0.00 0.00 176.35 177.91 2kc0 s ALA 49 N -1.96 -1.66 -0.21 4.21 0.00 -0.36 -1.33 121.76 120.45 2kc0 s ALA 49 Ca 0.40 2.00 -0.27 0.00 0.00 0.00 0.00 51.96 54.08 2kc0 s ALA 49 Cb -0.11 -1.17 0.11 0.00 0.00 0.00 0.00 23.12 21.95 2kc0 s ALA 49 CO 0.30 -0.33 0.91 0.00 0.00 0.00 0.00 175.76 176.64 2kc0 s ALA 50 N 0.81 -1.89 -1.56 0.00 0.00 -0.29 -1.13 121.76 117.70 2kc0 s ALA 50 Ca -0.04 1.73 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 2kc0 s ALA 50 Cb -0.05 -0.96 0.10 0.00 0.00 0.00 0.00 23.12 22.21 2kc0 s ALA 50 CO -0.06 -0.30 0.88 0.94 0.00 0.00 0.00 175.76 177.22 2kc0 n GLN 51 N 1.68 -4.70 0.00 0.00 -0.06 -1.26 -1.37 117.38 111.66 2kc0 n GLN 51 Ca -0.13 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 2kc0 n GLN 51 Cb 0.56 -5.31 0.00 0.00 -4.06 0.00 0.00 30.24 21.44 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kc0 n GLY 52 N -1.62 2.07 3.90 1.69 0.00 -1.26 -4.60 105.19 105.37 2kc0 n GLY 52 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2kc0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kc0 s ALA 53 N -2.46 3.76 -0.19 4.61 0.00 -0.47 -5.11 121.76 121.89 2kc0 s ALA 53 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 2kc0 s ALA 53 Cb 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 23.12 21.66 2kc0 s ALA 53 CO 0.00 0.24 0.49 -1.83 0.00 0.00 0.00 175.76 174.67 2kc0 s GLU 54 N -3.91 0.53 0.04 0.00 -1.05 -1.26 -1.14 118.70 111.91 2kc0 s GLU 54 Ca 0.33 0.80 -0.00 0.00 -0.15 0.00 0.00 54.97 55.95 2kc0 s GLU 54 Cb -0.08 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 2kc0 s GLU 54 CO 0.27 -0.11 -0.03 0.21 0.95 0.00 0.00 175.26 176.55 2kc0 s LYS 55 N 0.84 0.47 -0.02 -4.83 2.20 -0.44 -4.91 119.74 113.05 2kc0 s LYS 55 Ca -0.05 -0.92 0.07 0.00 -0.36 0.00 0.00 55.97 54.72 2kc0 s LYS 55 Cb -0.05 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 2kc0 s LYS 55 CO -0.07 -0.07 -0.22 0.95 -0.36 0.00 0.00 175.35 175.58 2kc0 s THR 56 N -2.64 1.75 0.17 3.43 -4.23 -1.26 -0.76 115.64 112.09 2kc0 s THR 56 Ca -0.04 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.60 2kc0 s THR 56 Cb -0.01 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2kc0 s THR 56 CO -0.05 0.50 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.16 2kc0 s TYR 57 N -0.52 2.75 0.00 3.99 2.02 0.12 -4.98 117.35 120.72 2kc0 s TYR 57 Ca 0.08 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 2kc0 s TYR 57 Cb -0.09 -1.34 0.05 0.00 -0.40 0.00 0.00 41.96 40.18 2kc0 s TYR 57 CO -0.01 0.51 0.96 0.41 -1.57 0.00 0.00 175.55 175.85 2kc0 n GLY 58 N 0.01 0.63 3.73 0.71 0.00 -1.26 -0.91 105.19 108.10 2kc0 n GLY 58 Ca -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2kc0 n GLY 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kc0 s ASN 59 N -0.99 -0.16 -1.24 1.61 2.47 -1.26 -4.81 114.94 110.56 2kc0 s ASN 59 Ca 0.04 -0.35 -0.19 0.00 0.42 0.00 0.00 52.86 52.78 2kc0 s ASN 59 Cb 0.05 0.44 0.07 0.00 -1.45 0.00 0.00 41.25 40.36 2kc0 s ASN 59 CO -0.02 -0.81 1.66 -0.83 -3.72 0.00 0.00 177.10 173.38 2kc0 s GLY 60 N -2.93 1.63 0.02 1.21 0.00 -1.26 -4.91 107.32 101.08 2kc0 s GLY 60 Ca 0.12 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.01 2kc0 s GLY 60 CO 0.01 2.66 0.00 1.34 0.00 0.00 0.00 173.10 177.12 2kc0 n ASP 61 N 8.26 1.42 -4.36 1.64 2.03 -1.26 -4.95 116.55 119.33 2kc0 n ASP 61 Ca 0.45 -1.09 -0.19 0.00 0.52 0.00 0.00 54.79 54.48 2kc0 n ASP 61 Cb 0.47 0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kc0 s SER 62 N -1.10 2.47 -0.57 1.67 1.04 -1.26 -2.30 113.70 113.64 2kc0 s SER 62 Ca 0.00 -1.10 -0.22 0.00 0.48 0.00 0.00 55.95 55.11 2kc0 s SER 62 Cb 0.00 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.06 2kc0 s SER 62 CO 0.00 -0.29 0.85 -0.22 0.98 0.00 0.00 173.24 174.57 2kc0 s LEU 63 N -3.34 4.49 -0.02 2.42 2.96 0.05 -4.87 118.68 120.36 2kc0 s LEU 63 Ca 0.25 -0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 2kc0 s LEU 63 Cb 0.02 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 2kc0 s LEU 63 CO 0.08 -1.19 1.38 0.54 -1.32 0.00 0.00 176.35 175.84 2kc0 s ASN 64 N 3.08 6.87 0.00 3.68 4.22 -1.26 -1.66 114.94 129.87 2kc0 s ASN 64 Ca 0.23 2.05 0.00 0.00 -2.14 0.00 0.00 52.86 53.00 2kc0 s ASN 64 Cb -0.16 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.81 2kc0 s ASN 64 CO 0.14 -0.71 0.00 0.35 -2.04 0.00 0.00 177.10 174.84 2kc0 n THR 65 N 4.75 0.00 -4.87 0.54 -2.24 -1.21 -4.87 114.28 106.39 2kc0 n THR 65 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2kc0 n THR 65 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kc0 n GLY 66 N 0.21 -0.22 0.35 3.38 0.00 0.27 -4.01 105.19 105.17 2kc0 n GLY 66 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.99 2kc0 n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kc0 h LYS 67 N 0.00 -0.20 0.00 1.61 6.56 -1.91 -3.46 116.57 119.17 2kc0 h LYS 67 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2kc0 h LYS 67 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2kc0 h LYS 67 CO 0.00 -0.13 0.00 -0.11 -2.06 0.00 0.00 179.45 177.15 2kc0 n LEU 68 N -5.42 0.00 -3.62 2.94 7.94 -1.26 -4.73 117.00 112.85 2kc0 n LEU 68 Ca 0.03 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.78 2kc0 n LEU 68 Cb 0.35 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.23 2kc0 n LEU 68 CO 0.03 0.00 0.36 -0.75 -1.11 0.00 0.00 177.39 175.92 2kc0 s LYS 69 N 0.00 0.84 0.00 1.96 2.47 -1.26 -5.14 119.74 118.61 2kc0 s LYS 69 Ca 0.00 0.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.07 2kc0 s LYS 69 Cb 0.00 0.41 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 2kc0 s LYS 69 CO 0.00 -0.17 0.08 0.09 0.16 0.00 0.00 175.35 175.52 2kc0 n ASN 70 N 2.12 0.00 -2.84 1.43 3.02 -1.26 -4.45 115.26 113.28 2kc0 n ASN 70 Ca -0.16 0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 2kc0 n ASN 70 Cb 0.56 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.76 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kc0 n ASP 71 N -0.38 -2.17 -4.06 6.41 5.75 -1.26 -4.38 116.55 116.47 2kc0 n ASP 71 Ca 0.00 -3.25 -0.07 0.00 -0.01 0.00 0.00 54.79 51.46 2kc0 n ASP 71 Cb 0.00 1.34 -0.10 0.00 -1.03 0.00 0.00 41.12 41.33 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kc0 s LYS 72 N 0.20 0.63 0.15 0.11 -2.85 -1.07 -4.94 119.74 111.96 2kc0 s LYS 72 Ca 0.31 -1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 54.04 2kc0 s LYS 72 Cb 0.23 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2kc0 s LYS 72 CO -0.19 -0.13 0.44 0.14 0.10 0.00 0.00 175.35 175.71 2kc0 s VAL 73 N -3.82 5.06 0.02 1.79 -7.23 -1.26 -0.26 120.40 114.70 2kc0 s VAL 73 Ca 0.06 0.33 0.05 0.00 -1.81 0.00 0.00 61.98 60.61 2kc0 s VAL 73 Cb 0.07 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.36 2kc0 s VAL 73 CO -0.10 0.09 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.20 2kc0 s SER 74 N -2.17 1.74 0.59 4.85 0.01 -0.49 -4.94 113.70 113.29 2kc0 s SER 74 Ca 0.40 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 2kc0 s SER 74 Cb -0.13 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2kc0 s SER 74 CO 0.21 0.10 1.07 0.00 0.41 0.00 0.00 173.24 175.03 2kc0 s ARG 75 N -0.81 3.31 -0.13 12.44 3.03 -1.26 -0.93 118.95 134.60 2kc0 s ARG 75 Ca 0.04 1.27 -0.11 0.00 2.03 0.00 0.00 55.73 58.96 2kc0 s ARG 75 Cb -0.07 -2.03 0.03 0.00 -1.03 0.00 0.00 34.95 31.86 2kc0 s ARG 75 CO 0.01 -0.83 0.33 -0.06 -1.13 0.00 0.00 175.30 173.62 2kc0 s PHE 76 N -2.35 -0.38 0.23 5.89 0.08 -0.48 -4.93 117.98 116.04 2kc0 s PHE 76 Ca 0.65 0.91 -0.30 0.00 0.12 0.00 0.00 56.93 58.31 2kc0 s PHE 76 Cb -0.17 0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.32 2kc0 s PHE 76 CO 0.35 -0.19 0.93 0.34 -0.10 0.00 0.00 175.22 176.55 2kc0 s ASP 77 N 0.33 7.63 -0.02 1.36 2.15 -0.29 -1.83 116.67 126.01 2kc0 s ASP 77 Ca -0.01 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.90 2kc0 s ASP 77 Cb -0.03 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2kc0 s ASP 77 CO -0.01 0.15 0.02 0.12 -0.17 0.00 0.00 175.17 175.28 2kc0 s PHE 78 N -1.13 0.14 -0.01 -5.34 2.19 -1.00 -1.23 117.98 111.60 2kc0 s PHE 78 Ca 0.41 0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.76 2kc0 s PHE 78 Cb -0.26 -0.30 0.01 0.00 -1.31 0.00 0.00 43.02 41.16 2kc0 s PHE 78 CO 0.32 -0.10 -0.04 0.42 1.83 0.00 0.00 175.22 177.65 2kc0 s ILE 79 N 1.03 0.35 0.11 3.12 1.09 -0.23 -1.32 121.20 125.34 2kc0 s ILE 79 Ca -0.09 -0.13 0.07 0.00 -1.10 0.00 0.00 60.65 59.39 2kc0 s ILE 79 Cb -0.13 -0.33 -0.04 0.00 -1.06 0.00 0.00 42.46 40.90 2kc0 s ILE 79 CO -0.02 0.12 -0.09 0.00 -0.10 0.00 0.00 174.94 174.85 2kc0 s ARG 80 N 0.22 2.14 0.04 2.79 1.70 -0.84 -0.75 118.95 124.26 2kc0 s ARG 80 Ca -0.02 -1.03 0.01 0.00 -0.47 0.00 0.00 55.73 54.22 2kc0 s ARG 80 Cb -0.06 -2.31 -0.03 0.00 -0.57 0.00 0.00 34.95 31.99 2kc0 s ARG 80 CO -0.00 0.51 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.52 2kc0 s GLN 81 N -2.25 0.52 -0.16 3.89 0.74 0.63 -4.18 119.66 118.84 2kc0 s GLN 81 Ca 0.22 -0.84 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 2kc0 s GLN 81 Cb -0.11 -0.13 0.07 0.00 1.10 0.00 0.00 33.01 33.94 2kc0 s GLN 81 CO 0.14 -0.00 0.37 -1.50 -0.55 0.00 0.00 175.29 173.75 2kc0 s ILE 82 N -1.95 -0.23 -0.04 -2.34 2.07 -1.26 -0.61 121.20 116.85 2kc0 s ILE 82 Ca -0.07 0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 2kc0 s ILE 82 Cb -0.06 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 41.99 2kc0 s ILE 82 CO -0.02 0.06 1.83 1.21 -1.91 0.00 0.00 174.94 176.11 2kc0 n GLU 83 N 4.67 1.11 -1.79 3.50 2.13 -1.26 -4.65 120.64 124.35 2kc0 n GLU 83 Ca -0.18 -0.21 -0.42 0.00 0.66 0.00 0.00 57.16 57.01 2kc0 n GLU 83 Cb 0.53 -1.08 -0.02 0.00 0.27 0.00 0.00 31.44 31.13 2kc0 n GLU 83 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kc0 s VAL 84 N -0.30 2.11 -1.47 6.31 -7.23 -1.26 -1.74 120.40 116.82 2kc0 s VAL 84 Ca 0.04 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2kc0 s VAL 84 Cb 0.03 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2kc0 s VAL 84 CO 0.00 0.01 0.00 -0.67 -0.31 0.00 0.00 175.10 174.13 2kc0 n ASP 85 N 2.50 -3.98 -0.43 4.85 2.03 -1.26 -1.37 116.55 118.90 2kc0 n ASP 85 Ca 0.09 0.30 -0.04 0.00 0.52 0.00 0.00 54.79 55.66 2kc0 n ASP 85 Cb 0.37 -3.58 -0.01 0.00 -0.72 0.00 0.00 41.12 37.18 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 86 N -0.42 0.44 3.81 0.27 0.00 -0.71 -5.05 105.19 103.53 2kc0 n GLY 86 Ca -0.15 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 2kc0 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kc0 s GLN 87 N -3.36 3.19 -0.84 1.61 -1.52 -0.47 -5.06 119.66 113.22 2kc0 s GLN 87 Ca 0.00 -0.39 0.01 0.00 -1.95 0.00 0.00 55.36 53.03 2kc0 s GLN 87 Cb 0.00 -2.95 0.32 0.00 -0.22 0.00 0.00 33.01 30.16 2kc0 s GLN 87 CO 0.00 0.68 1.36 1.28 -0.25 0.00 0.00 175.29 178.36 2kc0 n LEU 88 N 1.31 5.86 -4.59 2.90 4.32 -1.26 -4.09 117.00 121.45 2kc0 n LEU 88 Ca -0.14 -5.48 -0.42 0.00 -0.02 0.00 0.00 56.01 49.95 2kc0 n LEU 88 Cb 0.53 -0.92 -0.05 0.00 -1.62 0.00 0.00 43.42 41.37 2kc0 n LEU 88 CO 0.38 2.11 0.64 -0.63 -1.22 0.00 0.00 177.39 178.67 2kc0 s ILE 89 N -3.98 4.67 -0.41 -0.08 1.01 -1.26 -4.95 121.20 116.20 2kc0 s ILE 89 Ca 0.41 0.97 0.08 0.00 0.00 0.00 0.00 60.65 62.12 2kc0 s ILE 89 Cb 0.20 -4.26 0.27 0.00 0.01 0.00 0.00 42.46 38.68 2kc0 s ILE 89 CO -0.09 -0.49 0.67 0.41 0.00 0.00 0.00 174.94 175.45 2kc0 n THR 90 N 5.88 -0.42 -1.75 2.92 -1.04 -1.26 -3.99 114.28 114.62 2kc0 n THR 90 Ca 0.04 -3.45 0.00 0.00 -2.04 0.00 0.00 64.05 58.61 2kc0 n THR 90 Cb 0.48 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 2kc0 n THR 90 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2kc0 n LEU 91 N 1.19 0.00 -4.61 -4.42 -0.00 -1.26 -4.96 117.00 102.94 2kc0 n LEU 91 Ca 0.18 -0.74 -0.38 0.00 -0.00 0.00 0.00 56.01 55.07 2kc0 n LEU 91 Cb 0.58 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.90 2kc0 n LEU 91 CO 0.15 0.22 -0.17 -1.61 -0.00 0.00 0.00 177.39 175.98 2kc0 s GLU 92 N 0.00 3.98 0.09 1.96 8.01 -1.26 -3.63 118.70 127.84 2kc0 s GLU 92 Ca 0.00 -0.30 -0.09 0.00 0.01 0.00 0.00 54.97 54.59 2kc0 s GLU 92 Cb 0.00 -3.63 -0.00 0.00 -4.31 0.00 0.00 34.13 26.19 2kc0 s GLU 92 CO 0.00 -0.12 0.20 -1.54 0.01 0.00 0.00 175.26 173.80 2kc0 s SER 93 N 1.59 0.10 0.00 -0.19 1.04 -1.13 -1.99 113.70 113.13 2kc0 s SER 93 Ca 0.07 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2kc0 s SER 93 Cb -0.15 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2kc0 s SER 93 CO 0.09 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2kc0 n GLY 94 N -0.07 2.59 3.58 7.32 0.00 -0.44 -3.12 105.19 115.05 2kc0 n GLY 94 Ca -0.15 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2kc0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc0 s GLU 95 N 2.88 2.10 -0.30 1.61 2.56 0.40 -2.37 118.70 125.57 2kc0 s GLU 95 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 54.97 53.68 2kc0 s GLU 95 Cb 0.00 -2.16 0.13 0.00 2.00 0.00 0.00 34.13 34.10 2kc0 s GLU 95 CO 0.00 0.43 0.26 0.12 -0.56 0.00 0.00 175.26 175.51 2kc0 s PHE 96 N -1.78 -0.21 -0.37 5.30 5.36 -0.76 -2.19 117.98 123.34 2kc0 s PHE 96 Ca 0.26 -0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 55.57 2kc0 s PHE 96 Cb -0.09 -0.58 -0.00 0.00 -0.34 0.00 0.00 43.02 42.02 2kc0 s PHE 96 CO 0.16 -0.90 0.44 -0.65 -1.46 0.00 0.00 175.22 172.81 2kc0 s GLN 97 N 2.12 3.47 -0.30 10.12 -0.21 -0.84 -1.39 119.66 132.64 2kc0 s GLN 97 Ca 0.11 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.10 2kc0 s GLN 97 Cb -0.15 -3.85 0.07 0.00 1.00 0.00 0.00 33.01 30.08 2kc0 s GLN 97 CO -0.28 -0.66 -0.02 0.08 -2.12 0.00 0.00 175.29 172.28 2kc0 s VAL 98 N 2.21 2.58 0.15 1.09 1.01 -0.11 -1.39 120.40 125.95 2kc0 s VAL 98 Ca 0.15 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 2kc0 s VAL 98 Cb -0.16 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 2kc0 s VAL 98 CO 0.13 -0.19 1.03 -0.47 0.00 0.00 0.00 175.10 175.60 2kc0 s TYR 99 N 1.13 3.71 -0.05 5.22 6.14 -0.40 -1.40 117.35 131.71 2kc0 s TYR 99 Ca -0.04 1.71 -0.01 0.00 0.64 0.00 0.00 57.07 59.37 2kc0 s TYR 99 Cb -0.20 -3.16 -0.04 0.00 0.42 0.00 0.00 41.96 38.98 2kc0 s TYR 99 CO -0.04 -0.19 0.03 0.15 0.64 0.00 0.00 175.55 176.14 2kc0 s LYS 100 N -0.26 2.98 0.31 4.97 3.01 0.64 -3.74 119.74 127.65 2kc0 s LYS 100 Ca 0.48 -0.46 -0.14 0.00 -1.01 0.00 0.00 55.97 54.84 2kc0 s LYS 100 Cb -0.27 -2.80 0.02 0.00 -1.01 0.00 0.00 37.83 33.77 2kc0 s LYS 100 CO 0.32 0.68 0.63 -1.14 0.51 0.00 0.00 175.35 176.35 2kc0 s GLN 101 N -1.24 1.85 0.04 1.68 -0.44 -1.26 -2.61 119.66 117.68 2kc0 s GLN 101 Ca 0.17 -1.31 -0.29 0.00 -2.50 0.00 0.00 55.36 51.43 2kc0 s GLN 101 Cb -0.12 0.55 -0.16 0.00 -1.64 0.00 0.00 33.01 31.64 2kc0 s GLN 101 CO 0.07 -0.82 1.35 0.77 0.50 0.00 0.00 175.29 177.16 2kc0 h SER 102 N 2.09 -0.89 0.00 6.67 0.02 -1.96 -3.43 113.55 116.05 2kc0 h SER 102 Ca -0.26 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2kc0 h SER 102 Cb 1.25 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2kc0 h SER 102 CO 0.34 -0.60 0.00 1.41 -1.14 0.00 0.00 176.83 176.84 2kc0 n HIS 103 N -5.01 0.00 -3.67 3.45 8.25 -1.26 -5.01 115.22 111.97 2kc0 n HIS 103 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.08 2kc0 n HIS 103 Cb 0.41 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.35 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kc0 s SER 104 N 0.00 2.14 -0.01 0.41 1.04 -1.26 -3.32 113.70 112.69 2kc0 s SER 104 Ca 0.00 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.05 2kc0 s SER 104 Cb 0.00 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 2kc0 s SER 104 CO 0.00 -0.30 -0.23 0.00 0.98 0.00 0.00 173.24 173.69 2kc0 s ALA 105 N 2.06 1.93 0.07 5.32 0.00 0.11 -4.60 121.76 126.66 2kc0 s ALA 105 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2kc0 s ALA 105 Cb -0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2kc0 s ALA 105 CO -0.07 0.47 -0.11 -0.48 0.00 0.00 0.00 175.76 175.57 2kc0 s LEU 106 N -0.62 2.33 0.37 0.00 2.34 -1.25 -1.40 118.68 120.45 2kc0 s LEU 106 Ca 0.09 -0.69 0.07 0.00 0.06 0.00 0.00 54.13 53.67 2kc0 s LEU 106 Cb -0.09 -0.32 -0.02 0.00 -0.56 0.00 0.00 46.19 45.20 2kc0 s LEU 106 CO -0.01 -0.20 0.37 0.28 -1.06 0.00 0.00 176.35 175.73 2kc0 s THR 107 N -1.83 3.30 0.01 5.48 -1.32 -1.23 -1.27 115.64 118.79 2kc0 s THR 107 Ca -0.01 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.18 2kc0 s THR 107 Cb -0.07 -3.14 -0.01 0.00 -1.51 0.00 0.00 72.50 67.77 2kc0 s THR 107 CO 0.01 -0.11 0.01 0.00 -2.21 0.00 0.00 174.62 172.32 2kc0 s ALA 108 N -2.34 0.01 -0.05 11.08 0.00 -0.48 -1.16 121.76 128.81 2kc0 s ALA 108 Ca 0.45 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 2kc0 s ALA 108 Cb -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2kc0 s ALA 108 CO 0.28 -0.15 0.09 -0.06 0.00 0.00 0.00 175.76 175.93 2kc0 s PHE 109 N -1.24 3.38 -0.38 0.00 0.08 -0.33 -2.00 117.98 117.50 2kc0 s PHE 109 Ca -0.14 0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.25 2kc0 s PHE 109 Cb -0.08 -1.82 0.15 0.00 -0.57 0.00 0.00 43.02 40.71 2kc0 s PHE 109 CO -0.00 0.60 0.33 -1.14 -0.10 0.00 0.00 175.22 174.91 2kc0 s GLN 110 N -1.39 0.68 0.06 0.44 0.74 -0.93 -1.72 119.66 117.53 2kc0 s GLN 110 Ca 0.19 -1.27 -0.30 0.00 0.05 0.00 0.00 55.36 54.04 2kc0 s GLN 110 Cb -0.12 -1.01 -0.05 0.00 1.10 0.00 0.00 33.01 32.93 2kc0 s GLN 110 CO 0.09 -1.24 1.02 -0.08 -0.55 0.00 0.00 175.29 174.53 2kc0 s THR 111 N 1.02 4.53 0.00 -0.34 -1.32 -0.63 -0.46 115.64 118.45 2kc0 s THR 111 Ca 0.21 1.92 0.00 0.00 -1.21 0.00 0.00 61.69 62.61 2kc0 s THR 111 Cb -0.14 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 2kc0 s THR 111 CO -0.04 0.21 0.00 -0.62 -2.21 0.00 0.00 174.62 171.96 2kc0 n GLU 112 N 3.44 0.00 -3.93 7.08 1.02 -1.18 -0.33 120.64 126.74 2kc0 n GLU 112 Ca 0.05 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 2kc0 n GLU 112 Cb 0.49 -0.39 -0.17 0.00 -0.02 0.00 0.00 31.44 31.35 2kc0 n GLU 112 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kc0 s GLN 113 N -1.99 0.55 0.05 3.49 -0.21 -1.22 -2.53 119.66 117.79 2kc0 s GLN 113 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.43 2kc0 s GLN 113 Cb 0.00 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 2kc0 s GLN 113 CO 0.00 -0.19 -0.04 0.96 -2.12 0.00 0.00 175.29 173.90 2kc0 s ILE 114 N 1.40 0.32 0.43 1.08 -4.36 -0.68 -2.85 121.20 116.54 2kc0 s ILE 114 Ca -0.04 -1.41 -0.22 0.00 -0.26 0.00 0.00 60.65 58.71 2kc0 s ILE 114 Cb -0.13 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.50 2kc0 s ILE 114 CO -0.03 -0.71 1.01 -1.58 0.24 0.00 0.00 174.94 173.87 2kc0 s GLN 115 N -2.71 4.09 -0.13 0.37 -0.44 -1.24 -0.89 119.66 118.71 2kc0 s GLN 115 Ca -0.03 1.34 -0.06 0.00 -2.50 0.00 0.00 55.36 54.12 2kc0 s GLN 115 Cb -0.01 -2.31 -0.04 0.00 -1.64 0.00 0.00 33.01 29.01 2kc0 s GLN 115 CO -0.04 -0.18 0.09 0.34 0.50 0.00 0.00 175.29 175.99 2kc0 s ASP 116 N -1.87 5.93 -0.21 6.67 -1.08 0.92 -4.85 116.67 122.18 2kc0 s ASP 116 Ca 0.62 0.29 0.15 0.00 -0.52 0.00 0.00 52.55 53.09 2kc0 s ASP 116 Cb -0.16 -1.90 0.69 0.00 -1.46 0.00 0.00 42.92 40.09 2kc0 s ASP 116 CO 0.21 0.33 1.61 -1.20 0.52 0.00 0.00 175.17 176.64 2kc0 n SER 117 N 2.48 4.92 -0.00 -0.34 7.64 -1.26 -1.54 113.62 125.52 2kc0 n SER 117 Ca -0.19 -2.98 0.04 0.00 1.01 0.00 0.00 58.87 56.76 2kc0 n SER 117 Cb 0.54 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kc0 n GLU 118 N 0.11 4.04 -0.09 1.43 -0.00 -1.26 -4.61 120.64 120.27 2kc0 n GLU 118 Ca 0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.41 2kc0 n GLU 118 Cb 1.07 -0.92 0.00 0.00 -0.00 0.00 0.00 31.44 31.58 2kc0 n GLU 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kc0 n HIS 119 N -1.21 0.00 -3.78 -1.84 8.25 -1.26 -5.09 115.22 110.29 2kc0 n HIS 119 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 2kc0 n HIS 119 Cb 0.14 0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.27 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kc0 n SER 120 N 0.00 -2.78 0.00 0.41 7.64 -0.59 -3.65 113.62 114.66 2kc0 n SER 120 Ca 0.00 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2kc0 n SER 120 Cb 0.53 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc0 n GLY 121 N -1.56 0.63 2.30 0.23 0.00 -1.14 -5.04 105.19 100.61 2kc0 n GLY 121 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 122 N 0.00 -1.91 -3.44 1.61 5.02 -1.24 -4.82 118.16 113.38 2kc0 n LYS 122 Ca 0.00 -1.18 -0.12 0.00 -2.02 0.00 0.00 58.31 55.00 2kc0 n LYS 122 Cb 0.00 -0.99 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 2kc0 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 s MET 123 N -4.67 1.20 0.00 1.97 0.23 -1.26 -0.06 119.30 116.71 2kc0 s MET 123 Ca 0.46 -0.41 0.01 0.00 -1.03 0.00 0.00 55.69 54.72 2kc0 s MET 123 Cb -0.03 0.55 -0.01 0.00 -1.53 0.00 0.00 34.83 33.81 2kc0 s MET 123 CO 0.34 -0.52 -0.03 0.14 -2.03 0.00 0.00 175.02 172.93 2kc0 s VAL 124 N -3.52 0.23 -1.39 5.16 -7.23 -0.06 -4.88 120.40 108.70 2kc0 s VAL 124 Ca 0.01 -0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.83 2kc0 s VAL 124 Cb -0.01 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.75 2kc0 s VAL 124 CO -0.11 -0.04 2.61 0.00 -0.31 0.00 0.00 175.10 177.25 2kc0 n ALA 125 N 2.73 7.06 -1.47 1.32 0.00 -1.26 -1.68 120.51 127.22 2kc0 n ALA 125 Ca -0.15 -3.85 -0.37 0.00 0.00 0.00 0.00 53.44 49.08 2kc0 n ALA 125 Cb 0.58 -2.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 2kc0 n ALA 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kc0 n LYS 126 N 2.33 3.79 -1.61 0.00 3.00 -1.05 -4.90 118.16 119.72 2kc0 n LYS 126 Ca 0.68 -2.45 -0.16 0.00 -0.00 0.00 0.00 58.31 56.38 2kc0 n LYS 126 Cb 0.26 -2.69 -0.07 0.00 0.00 0.00 0.00 35.03 32.53 2kc0 n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kc0 s ARG 127 N 1.15 1.71 -0.22 1.64 3.52 -1.24 -4.47 118.95 121.04 2kc0 s ARG 127 Ca 0.66 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.74 2kc0 s ARG 127 Cb 0.20 -4.79 0.05 0.00 -1.56 0.00 0.00 34.95 28.84 2kc0 s ARG 127 CO -0.07 -4.29 -0.09 -0.65 -0.81 0.00 0.00 175.30 169.39 2kc0 s GLN 128 N 8.68 1.99 0.04 5.12 -0.21 0.55 -4.99 119.66 130.85 2kc0 s GLN 128 Ca 0.91 -0.98 -0.24 0.00 0.02 0.00 0.00 55.36 55.07 2kc0 s GLN 128 Cb -0.13 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 2kc0 s GLN 128 CO 0.08 -0.49 0.72 0.12 -2.12 0.00 0.00 175.29 173.60 2kc0 s PHE 129 N 1.34 3.74 0.06 0.91 5.36 -1.26 -1.60 117.98 126.52 2kc0 s PHE 129 Ca -0.04 1.41 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 2kc0 s PHE 129 Cb -0.18 -2.76 -0.03 0.00 -0.34 0.00 0.00 43.02 39.72 2kc0 s PHE 129 CO -0.07 0.32 0.04 1.03 -1.46 0.00 0.00 175.22 175.08 2kc0 s ARG 130 N -0.19 0.66 0.73 10.12 1.81 -0.70 -4.95 118.95 126.43 2kc0 s ARG 130 Ca 0.36 -1.07 -0.12 0.00 -1.72 0.00 0.00 55.73 53.18 2kc0 s ARG 130 Cb -0.20 0.24 0.04 0.00 -0.45 0.00 0.00 34.95 34.58 2kc0 s ARG 130 CO 0.22 -0.15 1.09 -1.50 -0.68 0.00 0.00 175.30 174.28 2kc0 s ILE 131 N -3.66 3.35 0.54 1.52 1.10 -1.26 -1.19 121.20 121.60 2kc0 s ILE 131 Ca 0.04 0.50 0.07 0.00 -0.51 0.00 0.00 60.65 60.75 2kc0 s ILE 131 Cb 0.05 -3.01 0.07 0.00 0.15 0.00 0.00 42.46 39.73 2kc0 s ILE 131 CO -0.09 -0.52 0.62 0.61 -2.11 0.00 0.00 174.94 173.45 2kc0 n GLY 132 N -1.04 2.28 3.89 1.50 0.00 -0.31 -4.49 105.19 107.03 2kc0 n GLY 132 Ca 0.09 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 2kc0 n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc0 s ASP 133 N -4.30 5.57 -0.34 1.61 -1.08 -1.26 -4.76 116.67 112.11 2kc0 s ASP 133 Ca 0.47 1.06 -0.07 0.00 -0.52 0.00 0.00 52.55 53.49 2kc0 s ASP 133 Cb -0.04 -1.94 0.04 0.00 -1.46 0.00 0.00 42.92 39.52 2kc0 s ASP 133 CO 0.30 -1.21 0.11 -0.63 0.52 0.00 0.00 175.17 174.25 2kc0 s ILE 134 N -3.24 3.82 0.06 4.11 -1.09 -1.26 -3.48 121.20 120.11 2kc0 s ILE 134 Ca 0.57 -1.11 -0.18 0.00 -2.23 0.00 0.00 60.65 57.69 2kc0 s ILE 134 Cb -0.11 -3.16 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 2kc0 s ILE 134 CO 0.50 -0.18 0.53 0.00 -1.23 0.00 0.00 174.94 174.56 2kc0 s ALA 135 N 1.41 3.62 0.00 9.38 0.00 -0.49 -4.99 121.76 130.69 2kc0 s ALA 135 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2kc0 s ALA 135 Cb -0.19 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2kc0 s ALA 135 CO 0.03 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2kc0 n GLY 136 N 1.72 1.66 3.55 0.00 0.00 -1.26 -0.71 105.19 110.14 2kc0 n GLY 136 Ca -0.11 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2kc0 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 137 N -2.00 3.23 0.21 1.61 2.02 -1.21 -5.00 118.70 117.56 2kc0 s GLU 137 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 2kc0 s GLU 137 Cb 0.00 -4.16 -0.08 0.00 0.10 0.00 0.00 34.13 29.98 2kc0 s GLU 137 CO 0.00 -2.08 1.13 -1.01 0.02 0.00 0.00 175.26 173.32 2kc0 s HIS 138 N 5.58 3.53 -0.00 1.61 3.76 -1.26 -0.39 115.29 128.11 2kc0 s HIS 138 Ca 0.35 1.57 0.02 0.00 -0.15 0.00 0.00 55.06 56.86 2kc0 s HIS 138 Cb -0.08 -3.33 -0.01 0.00 1.11 0.00 0.00 32.58 30.27 2kc0 s HIS 138 CO 0.16 -0.79 -0.07 0.95 -0.85 0.00 0.00 174.74 174.14 2kc0 s THR 139 N -0.48 0.55 0.43 1.30 -4.23 -1.16 -4.79 115.64 107.26 2kc0 s THR 139 Ca 0.49 -0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 2kc0 s THR 139 Cb -0.31 -0.47 -0.08 0.00 1.34 0.00 0.00 72.50 72.98 2kc0 s THR 139 CO 0.38 0.12 1.22 -0.44 -0.54 0.00 0.00 174.62 175.35 2kc0 s SER 140 N -0.27 6.23 0.15 3.99 0.01 -0.64 -4.21 113.70 118.95 2kc0 s SER 140 Ca 0.02 2.46 0.10 0.00 1.31 0.00 0.00 55.95 59.83 2kc0 s SER 140 Cb -0.03 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.44 2kc0 s SER 140 CO -0.00 -0.89 1.25 2.19 0.41 0.00 0.00 173.24 176.20 2kc0 h PHE 141 N 2.34 0.00 0.00 2.43 -0.00 -1.91 -3.28 116.94 116.52 2kc0 h PHE 141 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 2kc0 h PHE 141 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 2kc0 h PHE 141 CO 0.53 0.86 0.00 -3.47 -0.00 0.00 0.00 178.31 176.23 2kc0 n ASP 142 N -3.27 0.00 -0.32 -0.68 2.03 -1.26 -2.96 116.55 110.09 2kc0 n ASP 142 Ca -0.01 -0.91 0.05 0.00 0.52 0.00 0.00 54.79 54.44 2kc0 n ASP 142 Cb 0.89 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.40 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 143 N -0.70 2.64 -4.46 -0.67 4.76 -1.24 -5.03 118.16 113.47 2kc0 n LYS 143 Ca 0.05 -2.04 -0.26 0.00 -2.87 0.00 0.00 58.31 53.20 2kc0 n LYS 143 Cb 0.02 -1.28 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -1.59 2.86 0.73 -0.35 1.02 -1.15 -5.03 118.68 115.16 2kc0 s LEU 144 Ca 0.18 -1.14 -0.11 0.00 0.02 0.00 0.00 54.13 53.08 2kc0 s LEU 144 Cb 0.13 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 45.24 2kc0 s LEU 144 CO 0.06 -0.27 1.09 -2.16 0.02 0.00 0.00 176.35 175.09 2kc0 s PRO 145 N -3.68 2.68 -0.12 1.29 0.04 -1.26 -5.04 135.00 128.91 2kc0 s PRO 145 Ca 0.34 0.61 0.15 0.00 0.04 0.00 0.00 61.00 62.14 2kc0 s PRO 145 Cb 0.03 -1.99 0.33 0.00 0.04 0.00 0.00 34.50 32.90 2kc0 s PRO 145 CO 0.18 -1.19 1.16 0.39 0.04 0.00 0.00 177.00 177.58 2kc0 n GLU 146 N -3.14 0.99 -0.02 4.56 1.02 -1.26 -4.79 120.64 118.00 2kc0 n GLU 146 Ca 0.07 -2.54 -0.13 0.00 -0.02 0.00 0.00 57.16 54.54 2kc0 n GLU 146 Cb 0.56 -1.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kc0 h GLY 147 N 0.57 -0.03 0.00 0.62 0.00 -1.95 -3.33 103.07 98.96 2kc0 h GLY 147 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2kc0 h GLY 147 CO 0.02 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2kc0 n GLY 148 N 0.55 2.64 3.09 4.60 0.00 -1.26 -4.75 105.19 110.07 2kc0 n GLY 148 Ca -0.09 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2kc0 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kc0 s ARG 149 N 2.88 0.59 -0.08 1.61 1.70 -1.26 -0.84 118.95 123.56 2kc0 s ARG 149 Ca 0.00 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 2kc0 s ARG 149 Cb 0.00 0.22 0.02 0.00 -0.57 0.00 0.00 34.95 34.62 2kc0 s ARG 149 CO 0.00 -0.13 -0.07 0.00 -1.08 0.00 0.00 175.30 174.02 2kc0 s ALA 150 N -3.27 1.07 0.42 7.88 0.00 -0.31 -4.90 121.76 122.65 2kc0 s ALA 150 Ca 0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 2kc0 s ALA 150 Cb 0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 23.12 22.37 2kc0 s ALA 150 CO -0.08 -0.19 0.99 0.99 0.00 0.00 0.00 175.76 177.47 2kc0 s THR 151 N 1.28 4.10 0.08 0.00 2.01 -1.26 -0.96 115.64 120.90 2kc0 s THR 151 Ca -0.04 1.43 -0.02 0.00 0.31 0.00 0.00 61.69 63.37 2kc0 s THR 151 Cb -0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2kc0 s THR 151 CO -0.03 -0.16 0.04 -0.31 -0.69 0.00 0.00 174.62 173.47 2kc0 s TYR 152 N -1.95 0.57 -0.04 4.92 2.02 0.58 -4.94 117.35 118.52 2kc0 s TYR 152 Ca 0.60 -1.04 -0.20 0.00 -0.37 0.00 0.00 57.07 56.05 2kc0 s TYR 152 Cb -0.15 -0.36 0.04 0.00 -0.40 0.00 0.00 41.96 41.09 2kc0 s TYR 152 CO 0.19 -0.46 0.45 0.50 -1.57 0.00 0.00 175.55 174.66 2kc0 s ARG 153 N -3.95 0.79 0.09 -0.62 3.52 -1.26 -0.67 118.95 116.85 2kc0 s ARG 153 Ca 0.12 0.02 -0.27 0.00 -0.13 0.00 0.00 55.73 55.47 2kc0 s ARG 153 Cb 0.07 0.36 0.09 0.00 -1.56 0.00 0.00 34.95 33.91 2kc0 s ARG 153 CO -0.06 -0.23 1.09 0.20 -0.81 0.00 0.00 175.30 175.49 2kc0 s GLY 154 N -1.17 -0.29 0.36 8.12 0.00 -0.50 -3.12 107.32 110.72 2kc0 s GLY 154 Ca -0.12 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.67 2kc0 s GLY 154 CO 0.06 0.17 1.00 -1.59 0.00 0.00 0.00 173.10 172.73 2kc0 s THR 155 N -2.92 3.99 -0.16 0.90 2.01 -0.91 -0.70 115.64 117.84 2kc0 s THR 155 Ca 0.13 1.59 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 2kc0 s THR 155 Cb 0.01 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2kc0 s THR 155 CO 0.00 0.07 -0.08 0.00 -0.69 0.00 0.00 174.62 173.93 2kc0 s ALA 156 N -1.64 2.79 -0.04 7.40 0.00 -0.69 -3.21 121.76 126.37 2kc0 s ALA 156 Ca 0.53 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 2kc0 s ALA 156 Cb -0.20 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.49 2kc0 s ALA 156 CO 0.26 0.05 0.00 -0.59 0.00 0.00 0.00 175.76 175.48 2kc0 s PHE 157 N 0.66 0.43 0.00 0.00 -0.71 -1.17 -4.10 117.98 113.10 2kc0 s PHE 157 Ca -0.04 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 2kc0 s PHE 157 Cb -0.15 -0.55 0.00 0.00 -1.21 0.00 0.00 43.02 41.11 2kc0 s PHE 157 CO 0.02 -0.20 0.00 0.41 -1.34 0.00 0.00 175.22 174.12 2kc0 n GLY 158 N 4.52 2.29 2.28 1.99 0.00 -1.26 -0.64 105.19 114.37 2kc0 n GLY 158 Ca -0.19 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 2kc0 n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kc0 n SER 159 N -1.20 7.24 0.12 1.61 2.88 -1.25 -4.10 113.62 118.92 2kc0 n SER 159 Ca 0.00 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 2kc0 n SER 159 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kc0 n ASP 160 N 2.49 -0.97 0.00 -3.46 5.68 -1.26 -5.00 116.55 114.03 2kc0 n ASP 160 Ca 0.61 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 55.32 2kc0 n ASP 160 Cb 0.49 1.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.53 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2kc0 n ASP 161 N -3.15 0.32 -2.05 -1.12 -0.08 -1.26 -5.06 116.55 104.15 2kc0 n ASP 161 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2kc0 n ASP 161 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kc0 n ALA 162 N -1.91 -0.52 0.00 -1.67 0.00 -1.26 -4.75 120.51 110.40 2kc0 n ALA 162 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kc0 n ALA 162 Cb 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc0 n GLY 163 N -0.68 0.00 3.56 0.00 0.00 -1.26 -5.00 105.19 101.82 2kc0 n GLY 163 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2kc0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 164 N -1.74 1.54 0.05 -0.02 0.00 -1.26 -4.88 107.32 101.02 2kc0 s GLY 164 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2kc0 s GLY 164 CO 0.00 0.24 -0.02 -1.59 0.00 0.00 0.00 173.10 171.73 2kc0 s LYS 165 N -4.96 0.62 0.16 2.90 0.00 -0.75 -1.71 119.74 116.01 2kc0 s LYS 165 Ca 0.68 -1.22 0.07 0.00 0.00 0.00 0.00 55.97 55.51 2kc0 s LYS 165 Cb -0.17 0.21 -0.04 0.00 0.00 0.00 0.00 37.83 37.83 2kc0 s LYS 165 CO 0.59 -0.12 -0.03 -0.48 0.00 0.00 0.00 175.35 175.31 2kc0 s LEU 166 N -2.92 3.22 0.01 2.77 -0.00 0.12 -1.38 118.68 120.50 2kc0 s LEU 166 Ca 0.07 -0.42 0.07 0.00 -0.00 0.00 0.00 54.13 53.85 2kc0 s LEU 166 Cb 0.08 -1.90 -0.03 0.00 -0.00 0.00 0.00 46.19 44.34 2kc0 s LEU 166 CO -0.10 0.11 -0.20 -0.89 -0.00 0.00 0.00 176.35 175.27 2kc0 s THR 167 N -1.63 2.58 0.04 5.48 2.01 -0.22 -1.42 115.64 122.48 2kc0 s THR 167 Ca 0.26 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 2kc0 s THR 167 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2kc0 s THR 167 CO 0.17 0.45 0.04 -0.47 -0.69 0.00 0.00 174.62 174.13 2kc0 s TYR 168 N -0.79 0.31 -0.02 4.92 5.04 0.16 -0.61 117.35 126.36 2kc0 s TYR 168 Ca 0.12 -0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 54.01 2kc0 s TYR 168 Cb -0.10 -0.23 0.00 0.00 0.35 0.00 0.00 41.96 41.99 2kc0 s TYR 168 CO 0.02 -0.36 0.10 -0.08 -1.34 0.00 0.00 175.55 173.89 2kc0 s THR 169 N -2.97 0.03 -0.23 4.34 -1.32 -0.19 -0.31 115.64 114.99 2kc0 s THR 169 Ca -0.02 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2kc0 s THR 169 Cb 0.01 -0.23 0.06 0.00 -1.51 0.00 0.00 72.50 70.83 2kc0 s THR 169 CO -0.06 -0.14 -0.05 -0.51 -2.21 0.00 0.00 174.62 171.64 2kc0 s ILE 170 N -0.44 1.45 -1.27 5.08 2.07 -0.13 -1.45 121.20 126.50 2kc0 s ILE 170 Ca -0.05 -1.16 -0.16 0.00 -1.41 0.00 0.00 60.65 57.87 2kc0 s ILE 170 Cb -0.03 -1.73 0.11 0.00 0.13 0.00 0.00 42.46 40.94 2kc0 s ILE 170 CO 0.00 -0.10 1.66 0.47 -1.91 0.00 0.00 174.94 175.06 2kc0 n ASP 171 N 4.70 5.00 -0.35 4.50 9.92 -0.23 -1.16 116.55 138.93 2kc0 n ASP 171 Ca -0.12 -2.95 0.27 0.00 -0.53 0.00 0.00 54.79 51.46 2kc0 n ASP 171 Cb 0.44 -1.66 0.56 0.00 -0.64 0.00 0.00 41.12 39.83 2kc0 n ASP 171 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2kc0 h PHE 172 N 7.19 0.56 0.00 1.24 -1.00 -1.53 0.17 116.94 123.58 2kc0 h PHE 172 Ca 0.40 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 61.14 2kc0 h PHE 172 Cb 0.84 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 2kc0 h PHE 172 CO 1.29 0.00 -0.31 0.00 -1.61 0.00 0.00 178.31 177.68 2kc0 h ALA 173 N 1.60 1.29 -0.00 2.45 0.00 -1.10 -3.30 119.26 120.20 2kc0 h ALA 173 Ca 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kc0 h ALA 173 Cb 1.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2kc0 h ALA 173 CO -0.29 0.39 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 2kc0 n ALA 174 N -2.39 2.57 -3.60 0.00 0.00 0.12 -5.00 120.51 112.22 2kc0 n ALA 174 Ca -0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 2kc0 n ALA 174 Cb 0.39 -0.17 0.08 0.00 0.00 0.00 0.00 19.45 19.74 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 175 N -0.70 -7.50 -4.33 0.00 4.76 0.37 -5.04 118.16 105.72 2kc0 n LYS 175 Ca 0.02 0.81 -0.24 0.00 -2.87 0.00 0.00 58.31 56.03 2kc0 n LYS 175 Cb 0.09 -5.84 -0.08 0.00 -1.84 0.00 0.00 35.03 27.36 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kc0 s GLN 176 N -6.16 2.11 -0.45 1.97 -0.21 -1.22 -3.73 119.66 111.97 2kc0 s GLN 176 Ca 0.48 -1.61 0.06 0.00 0.02 0.00 0.00 55.36 54.30 2kc0 s GLN 176 Cb -0.21 -2.01 0.18 0.00 1.00 0.00 0.00 33.01 31.97 2kc0 s GLN 176 CO 0.74 0.26 0.56 0.20 -2.12 0.00 0.00 175.29 174.93 2kc0 s GLY 177 N -3.67 -0.43 0.41 3.09 0.00 -0.02 -1.07 107.32 105.63 2kc0 s GLY 177 Ca 0.33 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 44.17 2kc0 s GLY 177 CO 0.19 3.12 0.43 0.21 0.00 0.00 0.00 173.10 177.05 2kc0 s ASN 178 N 0.88 5.24 0.00 1.64 3.04 -0.53 -4.27 114.94 120.94 2kc0 s ASN 178 Ca 0.27 -0.64 0.00 0.00 0.04 0.00 0.00 52.86 52.53 2kc0 s ASN 178 Cb -0.02 -0.62 0.00 0.00 -1.54 0.00 0.00 41.25 39.06 2kc0 s ASN 178 CO -0.09 -0.66 0.00 0.61 -3.04 0.00 0.00 177.10 173.92 2kc0 n GLY 179 N -1.62 2.23 3.50 1.21 0.00 -1.26 -1.02 105.19 108.22 2kc0 n GLY 179 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N 0.42 1.00 -0.09 1.61 -2.85 0.22 -2.72 119.74 117.33 2kc0 s LYS 180 Ca 0.00 -0.08 0.01 0.00 -1.00 0.00 0.00 55.97 54.90 2kc0 s LYS 180 Cb 0.00 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2kc0 s LYS 180 CO 0.00 -0.38 -0.11 0.42 0.10 0.00 0.00 175.35 175.38 2kc0 s ILE 181 N -2.30 3.33 0.30 3.79 -1.09 0.19 -1.06 121.20 124.36 2kc0 s ILE 181 Ca -0.03 -0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 57.69 2kc0 s ILE 181 Cb -0.01 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 2kc0 s ILE 181 CO -0.02 0.56 0.55 -0.70 -1.23 0.00 0.00 174.94 174.10 2kc0 s GLU 182 N -0.27 1.78 -0.76 2.79 2.12 -0.48 -1.86 118.70 122.02 2kc0 s GLU 182 Ca 0.03 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 53.95 2kc0 s GLU 182 Cb -0.13 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2kc0 s GLU 182 CO 0.03 -0.76 0.00 1.58 -0.54 0.00 0.00 175.26 175.56 2kc0 n HIS 183 N -0.46 0.00 -1.66 5.30 -0.00 -1.26 -1.80 115.22 115.33 2kc0 n HIS 183 Ca -0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.87 2kc0 n HIS 183 Cb 0.61 -1.55 0.11 0.00 -0.12 0.00 0.00 29.99 29.05 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kc0 s LEU 184 N -1.64 2.27 0.59 0.27 2.01 -1.26 -4.14 118.68 116.78 2kc0 s LEU 184 Ca 0.00 0.95 0.29 0.00 0.01 0.00 0.00 54.13 55.38 2kc0 s LEU 184 Cb 0.00 -3.38 1.47 0.00 0.01 0.00 0.00 46.19 44.28 2kc0 s LEU 184 CO 0.00 -2.23 1.89 0.07 1.01 0.00 0.00 176.35 177.08 2kc0 h LYS 185 N -1.28 0.00 -4.12 1.70 5.09 -1.96 -3.42 116.57 112.58 2kc0 h LYS 185 Ca -0.48 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.06 2kc0 h LYS 185 Cb 1.32 0.00 -0.21 0.00 0.10 0.00 0.00 32.23 33.44 2kc0 h LYS 185 CO 0.63 0.00 -0.71 -1.12 -2.09 0.00 0.00 179.45 176.16 2kc0 s SER 186 N -5.22 0.38 0.24 7.07 0.01 -1.26 -5.07 113.70 109.85 2kc0 s SER 186 Ca -0.04 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.68 2kc0 s SER 186 Cb 0.16 0.08 0.27 0.00 0.21 0.00 0.00 66.02 66.74 2kc0 s SER 186 CO 0.56 -0.28 1.71 1.55 0.41 0.00 0.00 173.24 177.20 2kc0 h PRO 187 N 4.62 0.81 0.00 12.44 0.13 -1.97 -2.72 132.00 145.31 2kc0 h PRO 187 Ca -0.33 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2kc0 h PRO 187 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kc0 h PRO 187 CO 0.41 0.86 0.00 -0.85 -0.23 0.00 0.00 178.00 178.19 2kc0 n GLU 188 N -4.18 0.41 0.01 0.86 0.28 -1.26 -1.32 120.64 115.44 2kc0 n GLU 188 Ca 0.02 0.03 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 2kc0 n GLU 188 Cb 0.35 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.63 2kc0 n GLU 188 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kc0 n LEU 189 N -1.05 0.48 -4.68 -1.84 7.99 -1.02 -4.78 117.00 112.09 2kc0 n LEU 189 Ca 0.10 -0.10 -0.42 0.00 -0.01 0.00 0.00 56.01 55.57 2kc0 n LEU 189 Cb 0.06 -0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.31 2kc0 n LEU 189 CO 0.09 0.06 1.11 0.20 -1.51 0.00 0.00 177.39 177.33 2kc0 s ASN 190 N -4.04 6.88 0.17 -1.43 0.02 -0.43 -4.83 114.94 111.29 2kc0 s ASN 190 Ca -0.00 2.01 -0.00 0.00 -1.02 0.00 0.00 52.86 53.84 2kc0 s ASN 190 Cb 0.14 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 2kc0 s ASN 190 CO 0.86 -0.72 0.07 0.68 0.02 0.00 0.00 177.10 178.01 2kc0 s VAL 191 N 2.68 0.23 -0.01 1.60 -7.23 -0.77 -4.85 120.40 112.06 2kc0 s VAL 191 Ca 0.62 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2kc0 s VAL 191 Cb -0.29 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2kc0 s VAL 191 CO 0.24 -0.30 0.17 -0.62 -0.31 0.00 0.00 175.10 174.28 2kc0 s ASP 192 N -3.13 6.29 -0.06 4.85 2.15 -1.26 -0.64 116.67 124.87 2kc0 s ASP 192 Ca 0.29 0.32 -0.12 0.00 0.43 0.00 0.00 52.55 53.47 2kc0 s ASP 192 Cb 0.07 -1.96 -0.05 0.00 -0.30 0.00 0.00 42.92 40.68 2kc0 s ASP 192 CO 0.06 0.27 0.31 -0.22 -0.17 0.00 0.00 175.17 175.42 2kc0 s LEU 193 N -1.91 4.41 -0.30 -1.34 2.96 -1.10 -4.04 118.68 117.36 2kc0 s LEU 193 Ca 0.27 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.63 2kc0 s LEU 193 Cb -0.13 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2kc0 s LEU 193 CO 0.18 0.31 1.44 0.00 -1.32 0.00 0.00 176.35 176.96 2kc0 s ALA 194 N -0.79 3.25 -0.06 5.97 0.00 -0.91 -4.43 121.76 124.79 2kc0 s ALA 194 Ca 0.20 0.16 -0.36 0.00 0.00 0.00 0.00 51.96 51.95 2kc0 s ALA 194 Cb -0.15 -3.84 -0.14 0.00 0.00 0.00 0.00 23.12 18.99 2kc0 s ALA 194 CO 0.09 -2.00 1.67 0.00 0.00 0.00 0.00 175.76 175.52 2kc0 n ALA 195 N 8.24 0.26 -2.52 0.00 0.00 -1.26 -4.16 120.51 121.07 2kc0 n ALA 195 Ca 0.17 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 2kc0 n ALA 195 Cb 0.46 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 2kc0 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 s ALA 196 N 2.57 0.67 0.39 0.00 0.00 -1.26 -4.94 121.76 119.18 2kc0 s ALA 196 Ca 0.90 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2kc0 s ALA 196 Cb -0.86 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2kc0 s ALA 196 CO 0.52 -0.67 0.09 0.16 0.00 0.00 0.00 175.76 175.87 2kc0 s ASP 197 N -3.10 2.72 0.30 0.00 -4.77 -1.26 -0.84 116.67 109.72 2kc0 s ASP 197 Ca 0.32 -1.57 -0.29 0.00 -3.30 0.00 0.00 52.55 47.71 2kc0 s ASP 197 Cb 0.05 0.30 -0.10 0.00 -1.09 0.00 0.00 42.92 42.07 2kc0 s ASP 197 CO 0.10 -0.81 1.28 -0.63 0.70 0.00 0.00 175.17 175.81 2kc0 s ILE 198 N -3.22 2.92 0.07 2.11 -1.09 -1.24 -1.63 121.20 119.12 2kc0 s ILE 198 Ca 0.27 0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 59.57 2kc0 s ILE 198 Cb 0.05 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2kc0 s ILE 198 CO 0.14 0.20 0.23 -0.54 -1.23 0.00 0.00 174.94 173.74 2kc0 s LYS 199 N -1.39 3.46 -1.54 2.79 1.02 -0.12 -4.86 119.74 119.09 2kc0 s LYS 199 Ca 0.50 -0.40 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 2kc0 s LYS 199 Cb -0.38 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2kc0 s LYS 199 CO 0.48 0.59 2.70 -0.35 -0.92 0.00 0.00 175.35 177.84 2kc0 n PRO 200 N 0.24 3.62 -4.21 -1.68 -0.04 -1.26 -4.06 135.00 127.62 2kc0 n PRO 200 Ca -0.05 -2.49 -0.12 0.00 -0.04 0.00 0.00 63.50 60.80 2kc0 n PRO 200 Cb 0.51 -2.89 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 2kc0 n PRO 200 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kc0 s ASP 201 N 2.13 0.62 0.00 3.54 -1.08 -1.26 -5.10 116.67 115.52 2kc0 s ASP 201 Ca 0.62 -1.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 2kc0 s ASP 201 Cb 0.17 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 2kc0 s ASP 201 CO -0.07 -0.71 0.00 0.61 0.52 0.00 0.00 175.17 175.52 2kc0 n GLY 202 N -0.22 1.02 0.00 2.66 0.00 -1.26 -3.42 105.19 103.97 2kc0 n GLY 202 Ca -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 203 N 1.14 1.84 0.00 1.61 2.85 -1.26 -4.71 118.16 119.62 2kc0 n LYS 203 Ca 0.00 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 2kc0 n LYS 203 Cb 0.00 -0.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 2kc0 n LYS 203 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2kc0 n ARG 204 N -0.35 0.00 -3.79 -1.58 0.00 -1.26 -5.09 116.66 104.58 2kc0 n ARG 204 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.85 57.74 2kc0 n ARG 204 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 32.46 32.16 2kc0 n ARG 204 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2kc0 s HIS 205 N 0.00 -0.08 -0.03 -0.14 -3.43 -1.26 -1.62 115.29 108.73 2kc0 s HIS 205 Ca 0.00 -0.29 0.01 0.00 -0.80 0.00 0.00 55.06 53.98 2kc0 s HIS 205 Cb 0.00 0.67 0.03 0.00 -1.43 0.00 0.00 32.58 31.85 2kc0 s HIS 205 CO 0.00 -0.93 -0.00 0.00 -2.00 0.00 0.00 174.74 171.80 2kc0 s ALA 206 N -3.05 0.35 0.42 -1.38 0.00 -1.26 -4.29 121.76 112.54 2kc0 s ALA 206 Ca 0.14 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.00 2kc0 s ALA 206 Cb -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 2kc0 s ALA 206 CO 0.04 -0.06 1.27 0.08 0.00 0.00 0.00 175.76 177.09 2kc0 s VAL 207 N 0.99 2.71 -0.15 0.00 1.01 -1.22 -4.45 120.40 119.29 2kc0 s VAL 207 Ca -0.10 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 2kc0 s VAL 207 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2kc0 s VAL 207 CO -0.01 0.07 0.34 -0.63 0.00 0.00 0.00 175.10 174.87 2kc0 s ILE 208 N -1.32 5.27 -0.35 2.22 -1.09 -0.22 -0.95 121.20 124.78 2kc0 s ILE 208 Ca 0.59 0.66 0.03 0.00 -2.23 0.00 0.00 60.65 59.69 2kc0 s ILE 208 Cb -0.36 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 36.94 2kc0 s ILE 208 CO 0.46 0.38 0.07 -0.55 -1.23 0.00 0.00 174.94 174.06 2kc0 s SER 209 N 0.49 4.60 0.19 3.58 0.15 -0.65 -2.90 113.70 119.16 2kc0 s SER 209 Ca 0.19 -2.12 0.03 0.00 0.70 0.00 0.00 55.95 54.75 2kc0 s SER 209 Cb -0.14 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 2kc0 s SER 209 CO 0.06 -0.38 0.11 0.61 1.20 0.00 0.00 173.24 174.84 2kc0 n GLY 210 N 4.29 3.57 3.42 9.45 0.00 -0.83 -4.30 105.19 120.79 2kc0 n GLY 210 Ca 0.03 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 2kc0 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kc0 s SER 211 N -2.23 3.42 -0.29 1.61 0.01 -1.26 -1.70 113.70 113.26 2kc0 s SER 211 Ca 0.15 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2kc0 s SER 211 Cb 0.01 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.04 2kc0 s SER 211 CO 0.11 0.14 -0.04 -0.69 0.41 0.00 0.00 173.24 173.16 2kc0 s VAL 212 N -1.49 2.61 0.96 3.43 1.01 -0.43 -2.15 120.40 124.34 2kc0 s VAL 212 Ca 0.19 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 2kc0 s VAL 212 Cb -0.09 -2.54 0.21 0.00 0.00 0.00 0.00 36.38 33.97 2kc0 s VAL 212 CO 0.09 -0.10 1.30 -0.76 0.00 0.00 0.00 175.10 175.63 2kc0 s LEU 213 N 1.17 2.78 -0.29 3.92 1.43 -1.26 -0.83 118.68 125.61 2kc0 s LEU 213 Ca -0.06 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2kc0 s LEU 213 Cb -0.20 -2.07 0.20 0.00 0.03 0.00 0.00 46.19 44.15 2kc0 s LEU 213 CO -0.03 -2.76 0.69 -0.47 0.23 0.00 0.00 176.35 174.00 2kc0 s TYR 214 N -3.84 -1.55 -1.48 0.29 6.14 -1.26 -4.87 117.35 110.78 2kc0 s TYR 214 Ca 0.75 0.98 -0.12 0.00 0.64 0.00 0.00 57.07 59.32 2kc0 s TYR 214 Cb -0.03 0.30 0.08 0.00 0.42 0.00 0.00 41.96 42.73 2kc0 s TYR 214 CO 0.53 -0.89 0.79 -1.71 0.64 0.00 0.00 175.55 174.90 2kc0 n ASN 215 N 5.36 -4.56 -3.58 4.32 5.15 -1.26 -0.62 115.26 120.07 2kc0 n ASN 215 Ca 0.05 -0.63 -0.26 0.00 -0.60 0.00 0.00 54.58 53.14 2kc0 n ASN 215 Cb 0.54 -3.68 0.04 0.00 -0.53 0.00 0.00 39.78 36.15 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kc0 n GLN 216 N -4.33 -5.86 -1.15 1.20 1.13 -1.26 -4.91 117.38 102.21 2kc0 n GLN 216 Ca 0.01 0.71 -0.01 0.00 -1.94 0.00 0.00 57.00 55.78 2kc0 n GLN 216 Cb 0.54 -5.63 -0.02 0.00 0.11 0.00 0.00 30.24 25.24 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 n ALA 217 N -4.41 2.85 -3.58 -1.58 0.00 0.21 -5.15 120.51 108.85 2kc0 n ALA 217 Ca -0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 53.44 51.93 2kc0 n ALA 217 Cb 0.56 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2kc0 n ALA 217 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kc0 s GLU 218 N 0.00 1.87 -0.37 0.00 2.56 -1.24 -4.86 118.70 116.66 2kc0 s GLU 218 Ca 0.15 -1.25 0.13 0.00 0.00 0.00 0.00 54.97 54.00 2kc0 s GLU 218 Cb 0.18 0.56 0.42 0.00 2.00 0.00 0.00 34.13 37.29 2kc0 s GLU 218 CO -0.08 -0.84 1.20 0.36 -0.56 0.00 0.00 175.26 175.34 2kc0 n LYS 219 N -0.47 1.18 -0.93 4.30 2.85 -1.26 -4.67 118.16 119.16 2kc0 n LYS 219 Ca -0.04 -2.38 -0.05 0.00 -1.05 0.00 0.00 58.31 54.78 2kc0 n LYS 219 Cb 0.60 -0.51 0.03 0.00 -0.65 0.00 0.00 35.03 34.50 2kc0 n LYS 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kc0 n GLY 220 N -0.39 0.40 3.03 2.58 0.00 -0.01 -4.45 105.19 106.35 2kc0 n GLY 220 Ca 0.02 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2kc0 n GLY 220 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kc0 s SER 221 N -1.90 -0.04 0.03 1.61 0.15 0.10 -1.31 113.70 112.33 2kc0 s SER 221 Ca 0.15 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.86 2kc0 s SER 221 Cb -0.01 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 2kc0 s SER 221 CO 0.10 -0.17 -0.08 -0.72 1.20 0.00 0.00 173.24 173.57 2kc0 s TYR 222 N -0.53 0.69 -0.03 3.44 1.13 -0.69 -0.22 117.35 121.15 2kc0 s TYR 222 Ca -0.06 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.20 2kc0 s TYR 222 Cb -0.04 -0.42 0.03 0.00 -1.10 0.00 0.00 41.96 40.43 2kc0 s TYR 222 CO 0.00 -0.05 0.05 -1.12 -2.51 0.00 0.00 175.55 171.92 2kc0 s SER 223 N -1.22 0.60 0.11 -0.18 0.01 -0.29 -1.96 113.70 110.77 2kc0 s SER 223 Ca -0.06 0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.30 2kc0 s SER 223 Cb -0.08 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2kc0 s SER 223 CO 0.00 -0.19 -0.10 -0.76 0.41 0.00 0.00 173.24 172.61 2kc0 s LEU 224 N 1.62 2.46 0.24 2.44 1.02 -1.14 -1.34 118.68 123.98 2kc0 s LEU 224 Ca -0.02 -0.91 0.11 0.00 0.02 0.00 0.00 54.13 53.33 2kc0 s LEU 224 Cb -0.12 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.74 2kc0 s LEU 224 CO -0.03 -0.31 -0.20 -0.83 0.02 0.00 0.00 176.35 175.00 2kc0 s GLY 225 N -2.78 1.73 0.06 -3.19 0.00 -0.16 -1.05 107.32 101.93 2kc0 s GLY 225 Ca 0.10 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 2kc0 s GLY 225 CO -0.00 -1.83 0.92 -0.42 0.00 0.00 0.00 173.10 171.76 2kc0 s ILE 226 N -2.36 4.67 0.10 0.90 -1.09 -1.26 -2.76 121.20 119.40 2kc0 s ILE 226 Ca 0.25 1.96 0.08 0.00 -2.23 0.00 0.00 60.65 60.71 2kc0 s ILE 226 Cb -0.05 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2kc0 s ILE 226 CO 0.12 0.28 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.55 2kc0 s PHE 227 N 0.30 1.71 0.00 3.97 0.40 -0.51 -3.01 117.98 120.85 2kc0 s PHE 227 Ca 0.46 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2kc0 s PHE 227 Cb -0.22 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.38 2kc0 s PHE 227 CO 0.28 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2kc0 n GLY 228 N 1.04 -1.51 0.00 4.36 0.00 0.47 -0.65 105.19 108.90 2kc0 n GLY 228 Ca -0.19 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2kc0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 229 N -0.72 -0.40 0.62 -0.02 0.00 -1.26 -1.99 105.19 101.43 2kc0 n GLY 229 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kc0 n GLY 229 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 230 N -1.39 0.00 -2.47 1.61 5.02 -1.26 -5.06 118.16 114.61 2kc0 n LYS 230 Ca 0.00 -0.77 -0.00 0.00 -2.02 0.00 0.00 58.31 55.51 2kc0 n LYS 230 Cb 0.04 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 n ALA 231 N 0.05 -3.37 -0.01 7.82 0.00 -0.84 -5.02 120.51 119.13 2kc0 n ALA 231 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2kc0 n ALA 231 Cb 0.68 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 2kc0 n ALA 231 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kc0 n GLN 232 N 0.51 1.61 -3.94 0.00 7.27 0.17 -4.99 117.38 118.01 2kc0 n GLN 232 Ca 0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 57.00 56.96 2kc0 n GLN 232 Cb 0.02 -1.12 -0.06 0.00 2.41 0.00 0.00 30.24 31.50 2kc0 n GLN 232 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2kc0 s GLU 233 N -2.23 1.33 -0.07 3.69 1.03 -1.03 -0.79 118.70 120.63 2kc0 s GLU 233 Ca -0.02 -1.15 -0.05 0.00 0.03 0.00 0.00 54.97 53.78 2kc0 s GLU 233 Cb 0.02 0.43 0.02 0.00 -0.80 0.00 0.00 34.13 33.81 2kc0 s GLU 233 CO 0.19 -0.53 0.17 0.14 -1.33 0.00 0.00 175.26 173.91 2kc0 s VAL 234 N -3.97 -0.02 0.16 1.83 -7.23 -0.65 -1.42 120.40 109.10 2kc0 s VAL 234 Ca 0.18 0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.22 2kc0 s VAL 234 Cb 0.01 -0.26 0.05 0.00 0.56 0.00 0.00 36.38 36.74 2kc0 s VAL 234 CO 0.03 0.02 0.51 0.00 -0.31 0.00 0.00 175.10 175.36 2kc0 s ALA 235 N 0.47 -1.22 0.00 1.32 0.00 -1.11 -3.27 121.76 117.95 2kc0 s ALA 235 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2kc0 s ALA 235 Cb -0.05 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2kc0 s ALA 235 CO -0.02 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2kc0 n GLY 236 N -0.32 -0.56 3.26 0.00 0.00 -1.26 -0.99 105.19 105.32 2kc0 n GLY 236 Ca -0.15 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2kc0 n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 237 N -4.00 -0.32 0.12 1.61 1.04 -0.45 -3.04 113.70 108.66 2kc0 s SER 237 Ca 0.00 0.52 0.07 0.00 0.48 0.00 0.00 55.95 57.02 2kc0 s SER 237 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2kc0 s SER 237 CO 0.00 -0.24 -0.16 0.00 0.98 0.00 0.00 173.24 173.82 2kc0 s ALA 238 N -0.34 1.59 0.07 5.32 0.00 -0.46 -1.14 121.76 126.80 2kc0 s ALA 238 Ca -0.05 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2kc0 s ALA 238 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kc0 s ALA 238 CO 0.02 0.17 -0.12 -1.83 0.00 0.00 0.00 175.76 174.00 2kc0 s GLU 239 N -2.46 0.78 -0.05 0.00 1.03 0.69 -0.53 118.70 118.16 2kc0 s GLU 239 Ca 0.08 -0.98 -0.00 0.00 0.03 0.00 0.00 54.97 54.10 2kc0 s GLU 239 Cb -0.06 -0.66 0.03 0.00 -0.80 0.00 0.00 34.13 32.63 2kc0 s GLU 239 CO 0.04 0.13 -0.01 0.54 -1.33 0.00 0.00 175.26 174.63 2kc0 s VAL 240 N -1.60 0.36 -0.75 1.83 0.11 -0.13 -0.72 120.40 119.51 2kc0 s VAL 240 Ca -0.01 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 2kc0 s VAL 240 Cb -0.08 -0.48 0.16 0.00 -1.53 0.00 0.00 36.38 34.46 2kc0 s VAL 240 CO 0.01 0.22 0.78 -1.59 -3.33 0.00 0.00 175.10 171.20 2kc0 s LYS 241 N 1.49 3.38 0.65 1.54 -2.85 -1.26 -0.61 119.74 122.08 2kc0 s LYS 241 Ca -0.02 -1.96 -0.03 0.00 -1.00 0.00 0.00 55.97 52.96 2kc0 s LYS 241 Cb -0.13 -4.46 0.06 0.00 -2.06 0.00 0.00 37.83 31.24 2kc0 s LYS 241 CO -0.03 -1.45 0.92 0.99 0.10 0.00 0.00 175.35 175.88 2kc0 s THR 242 N 1.44 2.41 0.47 3.79 2.01 -1.09 -4.49 115.64 120.17 2kc0 s THR 242 Ca 0.17 -0.48 0.25 0.00 0.31 0.00 0.00 61.69 61.94 2kc0 s THR 242 Cb -0.15 -2.93 0.44 0.00 0.01 0.00 0.00 72.50 69.86 2kc0 s THR 242 CO -0.04 0.00 1.84 0.58 -0.69 0.00 0.00 174.62 176.31 2kc0 h VAL 243 N -0.34 0.57 -0.13 3.82 2.07 -1.96 -0.36 116.25 119.91 2kc0 h VAL 243 Ca -0.42 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2kc0 h VAL 243 Cb 1.30 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kc0 h VAL 243 CO 0.53 0.04 0.00 0.59 0.02 0.00 0.00 177.57 178.75 2kc0 n ASN 244 N -4.42 0.73 0.00 0.57 3.02 -1.26 -5.03 115.26 108.87 2kc0 n ASN 244 Ca 0.21 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 2kc0 n ASN 244 Cb 0.89 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 2kc0 n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kc0 n GLY 245 N 0.76 -3.11 3.71 7.41 0.00 -0.15 -5.00 105.19 108.82 2kc0 n GLY 245 Ca 0.07 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2kc0 n GLY 245 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kc0 s ILE 246 N -0.79 4.25 0.27 -0.61 2.07 -1.26 -2.67 121.20 122.46 2kc0 s ILE 246 Ca 0.00 1.64 0.09 0.00 -1.41 0.00 0.00 60.65 60.97 2kc0 s ILE 246 Cb 0.00 -4.05 -0.04 0.00 0.13 0.00 0.00 42.46 38.50 2kc0 s ILE 246 CO 0.00 0.14 0.03 -0.13 -1.91 0.00 0.00 174.94 173.07 2kc0 s ARG 247 N 0.95 2.39 0.13 3.50 3.00 0.22 -4.98 118.95 124.17 2kc0 s ARG 247 Ca 0.56 -1.37 0.09 0.00 0.00 0.00 0.00 55.73 55.01 2kc0 s ARG 247 Cb -0.27 -2.22 -0.04 0.00 0.00 0.00 0.00 34.95 32.42 2kc0 s ARG 247 CO 0.29 0.36 -0.21 -1.01 0.00 0.00 0.00 175.30 174.74 2kc0 s HIS 248 N -2.30 1.86 -0.02 -0.53 3.76 -1.26 -0.96 115.29 115.85 2kc0 s HIS 248 Ca 0.32 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.82 2kc0 s HIS 248 Cb -0.06 -0.98 -0.00 0.00 1.11 0.00 0.00 32.58 32.64 2kc0 s HIS 248 CO 0.21 0.27 -0.08 0.42 -0.85 0.00 0.00 174.74 174.70 2kc0 s ILE 249 N -1.49 0.70 0.12 0.60 1.01 0.31 -3.76 121.20 118.69 2kc0 s ILE 249 Ca 0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 2kc0 s ILE 249 Cb -0.08 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 41.71 2kc0 s ILE 249 CO 0.05 0.21 0.59 -0.83 0.00 0.00 0.00 174.94 174.96 2kc0 s GLY 250 N -0.00 2.59 -0.08 6.18 0.00 0.19 -1.36 107.32 114.84 2kc0 s GLY 250 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 2kc0 s GLY 250 CO -0.00 0.36 0.16 1.08 0.00 0.00 0.00 173.10 174.71 2kc0 s LEU 251 N -1.56 4.39 -0.43 0.66 2.01 -1.17 -3.02 118.68 119.55 2kc0 s LEU 251 Ca 0.34 0.45 0.06 0.00 0.01 0.00 0.00 54.13 54.99 2kc0 s LEU 251 Cb -0.17 -2.27 0.17 0.00 0.01 0.00 0.00 46.19 43.93 2kc0 s LEU 251 CO 0.19 0.36 0.55 0.00 1.01 0.00 0.00 176.35 178.46 2kc0 s ALA 252 N -1.13 -1.17 -0.01 4.21 0.00 -1.20 -4.43 121.76 118.04 2kc0 s ALA 252 Ca 0.19 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2kc0 s ALA 252 Cb -0.12 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.63 2kc0 s ALA 252 CO 0.09 -2.17 -0.06 0.00 0.00 0.00 0.00 175.76 173.62 2kc0 s ALA 253 N 1.14 0.53 0.23 0.00 0.00 -1.20 -2.15 121.76 120.31 2kc0 s ALA 253 Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2kc0 s ALA 253 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2kc0 s ALA 253 CO -0.07 0.13 0.33 -1.59 0.00 0.00 0.00 175.76 174.55 2kc0 s LYS 254 N -0.12 1.41 0.00 0.00 -2.85 -1.18 -1.64 119.74 115.35 2kc0 s LYS 254 Ca 0.02 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 2kc0 s LYS 254 Cb -0.03 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2kc0 s LYS 254 CO -0.00 -0.54 0.43 0.00 0.10 0.00 0.00 175.35 175.34