#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks0 s ALA 2 N 0.00 2.68 -0.21 -1.58 0.00 -1.26 -5.07 121.76 116.32 3ks0 s ALA 2 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 3ks0 s ALA 2 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 3ks0 s ALA 2 CO 0.00 -1.05 -0.05 0.08 0.00 0.00 0.00 175.76 174.74 3ks0 s VAL 3 N -2.72 3.39 -0.13 0.00 1.01 -1.26 -4.94 120.40 115.75 3ks0 s VAL 3 Ca 0.61 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 3ks0 s VAL 3 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3ks0 s VAL 3 CO 0.46 0.44 0.34 -0.69 0.00 0.00 0.00 175.10 175.64 3ks0 s VAL 4 N 1.31 5.26 -0.06 2.92 1.01 -1.26 -0.63 120.40 128.94 3ks0 s VAL 4 Ca 0.04 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3ks0 s VAL 4 Cb -0.14 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3ks0 s VAL 4 CO -0.02 0.41 -0.15 0.28 0.00 0.00 0.00 175.10 175.62 3ks0 s THR 5 N 0.22 1.32 0.10 3.92 -1.32 0.40 -4.15 115.64 116.13 3ks0 s THR 5 Ca 0.19 -0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 60.01 3ks0 s THR 5 Cb -0.14 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 3ks0 s THR 5 CO 0.06 0.39 0.11 0.00 -2.21 0.00 0.00 174.62 172.98 3ks0 s GLN 6 N 0.42 0.85 0.20 7.08 -2.07 -1.26 -1.65 119.66 123.23 3ks0 s GLN 6 Ca -0.12 -1.18 -0.32 0.00 -1.82 0.00 0.00 55.36 51.92 3ks0 s GLN 6 Cb -0.15 0.29 -0.15 0.00 -1.09 0.00 0.00 33.01 31.91 3ks0 s GLN 6 CO 0.04 -0.24 1.28 0.39 -1.32 0.00 0.00 175.29 175.43 3ks0 n GLU 7 N -0.04 1.58 -0.07 9.60 4.71 -1.26 -4.86 120.64 130.29 3ks0 n GLU 7 Ca -0.11 0.56 -0.08 0.00 -0.01 0.00 0.00 57.16 57.52 3ks0 n GLU 7 Cb 0.62 -2.14 -0.02 0.00 -1.01 0.00 0.00 31.44 28.90 3ks0 n GLU 7 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3ks0 h SER 8 N 3.79 -0.90 -4.06 1.62 0.87 -1.96 -3.31 113.55 109.60 3ks0 h SER 8 Ca -0.44 0.16 0.14 0.00 -1.23 0.00 0.00 61.79 60.41 3ks0 h SER 8 Cb 1.31 0.42 -0.22 0.00 -0.44 0.00 0.00 62.40 63.47 3ks0 h SER 8 CO 0.73 -0.30 0.64 0.00 -0.53 0.00 0.00 176.83 177.37 3ks0 s ALA 9 N -6.05 -1.97 -0.04 6.23 0.00 -1.26 -1.91 121.76 116.77 3ks0 s ALA 9 Ca -0.15 1.55 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 3ks0 s ALA 9 Cb 0.13 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3ks0 s ALA 9 CO 0.68 -0.40 0.15 -0.51 0.00 0.00 0.00 175.76 175.68 3ks0 s LEU 10 N -1.45 1.45 -0.09 0.00 1.43 -0.85 -4.93 118.68 114.23 3ks0 s LEU 10 Ca 0.03 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3ks0 s LEU 10 Cb -0.01 0.58 -0.02 0.00 0.03 0.00 0.00 46.19 46.77 3ks0 s LEU 10 CO -0.02 -0.15 -0.11 -0.89 0.23 0.00 0.00 176.35 175.40 3ks0 s THR 11 N -0.37 3.30 0.24 5.49 2.01 -1.26 -0.96 115.64 124.08 3ks0 s THR 11 Ca -0.05 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 3ks0 s THR 11 Cb -0.03 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3ks0 s THR 11 CO 0.01 0.56 0.35 0.28 -0.69 0.00 0.00 174.62 175.12 3ks0 s THR 12 N -0.25 0.00 0.34 -0.82 -1.32 -0.19 -4.96 115.64 108.43 3ks0 s THR 12 Ca 0.02 -1.64 0.09 0.00 -1.21 0.00 0.00 61.69 58.96 3ks0 s THR 12 Cb -0.13 -2.34 -0.06 0.00 -1.51 0.00 0.00 72.50 68.46 3ks0 s THR 12 CO 0.03 0.00 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.94 3ks0 s SER 13 N -3.09 3.92 0.71 8.08 0.01 -1.26 0.19 113.70 122.26 3ks0 s SER 13 Ca 0.29 -1.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.29 3ks0 s SER 13 Cb 0.02 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.85 3ks0 s SER 13 CO 0.11 -0.20 1.24 -2.65 0.41 0.00 0.00 173.24 172.15 3ks0 n PRO 14 N -0.85 0.76 0.00 12.44 -0.02 -1.26 -2.51 135.00 143.56 3ks0 n PRO 14 Ca -0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3ks0 n PRO 14 Cb 0.63 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3ks0 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ks0 n GLY 15 N 0.81 2.92 3.83 -1.23 0.00 0.48 -4.88 105.19 107.12 3ks0 n GLY 15 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3ks0 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ks0 s GLU 16 N -0.14 4.02 -0.18 1.61 0.41 -1.04 -3.73 118.70 119.65 3ks0 s GLU 16 Ca 0.00 1.03 -0.19 0.00 -0.41 0.00 0.00 54.97 55.41 3ks0 s GLU 16 Cb 0.00 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.17 3ks0 s GLU 16 CO 0.00 -0.21 0.52 0.99 -0.49 0.00 0.00 175.26 176.07 3ks0 s THR 17 N -2.44 5.12 0.02 3.63 2.01 -1.26 -1.47 115.64 121.25 3ks0 s THR 17 Ca 0.60 0.97 0.07 0.00 0.31 0.00 0.00 61.69 63.65 3ks0 s THR 17 Cb -0.10 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 3ks0 s THR 17 CO 0.25 0.21 -0.21 0.54 -0.69 0.00 0.00 174.62 174.72 3ks0 s VAL 18 N 1.37 1.71 -0.14 3.82 0.11 0.03 -4.97 120.40 122.33 3ks0 s VAL 18 Ca 0.25 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3ks0 s VAL 18 Cb -0.15 -1.46 -0.00 0.00 -1.53 0.00 0.00 36.38 33.24 3ks0 s VAL 18 CO 0.10 0.32 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.11 3ks0 s THR 19 N -0.69 2.45 -0.12 5.04 2.01 -1.26 -0.84 115.64 122.24 3ks0 s THR 19 Ca 0.08 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 3ks0 s THR 19 Cb -0.09 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3ks0 s THR 19 CO 0.01 0.53 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 3ks0 s LEU 20 N 0.67 3.49 0.38 4.42 1.02 0.20 -4.97 118.68 123.89 3ks0 s LEU 20 Ca -0.09 0.05 0.08 0.00 0.02 0.00 0.00 54.13 54.18 3ks0 s LEU 20 Cb -0.16 -1.82 -0.07 0.00 0.02 0.00 0.00 46.19 44.16 3ks0 s LEU 20 CO 0.02 0.29 -0.03 0.42 0.02 0.00 0.00 176.35 177.08 3ks0 s THR 21 N -0.37 2.03 -0.14 5.49 -4.23 -1.26 0.14 115.64 117.29 3ks0 s THR 21 Ca 0.07 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3ks0 s THR 21 Cb -0.12 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 70.94 3ks0 s THR 21 CO 0.02 -0.08 0.30 0.00 -0.54 0.00 0.00 174.62 174.32 3ks0 s ARG 23 N 2.41 2.19 0.08 0.00 3.52 -0.66 -2.01 118.95 124.48 3ks0 s ARG 23 Ca 0.00 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 3ks0 s ARG 23 Cb -0.12 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.12 3ks0 s ARG 23 CO -0.09 0.56 0.39 -1.54 -0.81 0.00 0.00 175.30 173.80 3ks0 s SER 24 N -0.61 6.62 0.29 -2.12 1.04 -1.26 -0.45 113.70 117.21 3ks0 s SER 24 Ca 0.10 0.75 0.07 0.00 0.48 0.00 0.00 55.95 57.35 3ks0 s SER 24 Cb -0.10 -2.16 0.45 0.00 0.10 0.00 0.00 66.02 64.31 3ks0 s SER 24 CO -0.01 0.17 1.70 0.77 0.98 0.00 0.00 173.24 176.85 3ks0 h SER 25 N 3.68 0.25 0.48 7.02 4.64 -1.24 -3.31 113.55 125.07 3ks0 h SER 25 Ca -0.49 -0.10 -0.30 0.00 -0.47 0.00 0.00 61.79 60.43 3ks0 h SER 25 Cb 1.19 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3ks0 h SER 25 CO 0.67 0.64 -1.38 0.71 -0.87 0.00 0.00 176.83 176.60 3ks0 h THR 26 N 0.20 1.36 -0.85 2.95 1.35 -1.95 -3.48 112.91 112.49 3ks0 h THR 26 Ca 0.02 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3ks0 h THR 26 Cb 0.82 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3ks0 h THR 26 CO 0.06 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 3ks0 n GLY 27 N 1.62 2.75 3.82 5.82 0.00 -1.25 -5.16 105.19 112.79 3ks0 n GLY 27 Ca -0.13 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3ks0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks0 s ALA 28 N -1.00 2.77 -0.35 4.61 0.00 -1.26 -4.17 121.76 122.36 3ks0 s ALA 28 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 3ks0 s ALA 28 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3ks0 s ALA 28 CO 0.00 -0.90 0.35 0.08 0.00 0.00 0.00 175.76 175.29 3ks0 s VAL 29 N -2.74 5.18 0.56 0.00 1.01 -0.78 -4.95 120.40 118.68 3ks0 s VAL 29 Ca 0.60 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3ks0 s VAL 29 Cb -0.14 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.48 3ks0 s VAL 29 CO 0.44 -0.11 0.63 0.42 0.00 0.00 0.00 175.10 176.48 3ks0 s THR 30 N 1.98 1.91 0.52 3.92 -4.23 -1.26 -4.54 115.64 113.94 3ks0 s THR 30 Ca 0.11 -1.21 0.37 0.00 -1.18 0.00 0.00 61.69 59.77 3ks0 s THR 30 Cb -0.17 -2.13 0.39 0.00 1.34 0.00 0.00 72.50 71.94 3ks0 s THR 30 CO 0.12 0.00 2.23 0.00 -0.54 0.00 0.00 174.62 176.43 3ks0 h THR 31 N 0.42 0.22 0.00 3.99 1.03 -1.99 -1.80 112.91 114.78 3ks0 h THR 31 Ca -0.33 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 3ks0 h THR 31 Cb 1.30 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 3ks0 h THR 31 CO 0.48 0.03 0.00 0.28 -0.01 0.00 0.00 175.52 176.29 3ks0 h SER 32 N 0.00 0.00 0.98 0.00 0.02 -1.97 0.61 113.55 113.19 3ks0 h SER 32 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ks0 h SER 32 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ks0 h SER 32 CO 0.00 0.00 -0.01 0.59 -1.14 0.00 0.00 176.83 176.27 3ks0 n ASN 33 N -2.65 0.01 -4.06 3.07 5.03 -0.68 -4.89 115.26 111.10 3ks0 n ASN 33 Ca -0.01 0.47 -0.37 0.00 0.87 0.00 0.00 54.58 55.54 3ks0 n ASN 33 Cb 0.13 -0.47 -0.01 0.00 -1.02 0.00 0.00 39.78 38.40 3ks0 n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3ks0 n TYR 34 N -1.50 -1.48 -1.39 3.10 4.02 0.21 -0.82 117.16 119.29 3ks0 n TYR 34 Ca 0.07 0.38 -0.39 0.00 -0.01 0.00 0.00 57.90 57.95 3ks0 n TYR 34 Cb 0.34 -3.05 0.02 0.00 -0.02 0.00 0.00 39.34 36.63 3ks0 n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ks0 n ALA 35 N -4.69 -1.86 -3.17 -0.72 0.00 -1.26 -4.17 120.51 104.64 3ks0 n ALA 35 Ca -0.20 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 3ks0 n ALA 35 Cb 0.62 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 3ks0 n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ks0 s ASN 36 N -1.07 -0.27 -0.10 0.00 3.04 0.02 -1.12 114.94 115.43 3ks0 s ASN 36 Ca 0.64 0.52 0.00 0.00 0.04 0.00 0.00 52.86 54.07 3ks0 s ASN 36 Cb -0.50 0.53 0.02 0.00 -1.54 0.00 0.00 41.25 39.76 3ks0 s ASN 36 CO 0.59 -0.09 -0.10 0.26 -3.04 0.00 0.00 177.10 174.72 3ks0 s TRP 37 N 0.19 1.57 0.11 0.43 0.52 0.11 0.10 118.94 121.97 3ks0 s TRP 37 Ca -0.00 -0.74 0.10 0.00 0.02 0.00 0.00 56.10 55.48 3ks0 s TRP 37 Cb -0.02 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 3ks0 s TRP 37 CO -0.00 -0.46 -0.26 0.14 0.02 0.00 0.00 176.95 176.38 3ks0 s VAL 38 N 1.36 2.29 -0.09 4.03 -7.23 -0.57 0.88 120.40 121.08 3ks0 s VAL 38 Ca -0.01 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 3ks0 s VAL 38 Cb -0.14 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3ks0 s VAL 38 CO -0.05 0.14 0.02 -1.58 -0.31 0.00 0.00 175.10 173.33 3ks0 s GLN 39 N -1.91 3.04 -0.17 4.82 0.74 0.12 -1.04 119.66 125.27 3ks0 s GLN 39 Ca 0.14 -0.37 -0.00 0.00 0.05 0.00 0.00 55.36 55.18 3ks0 s GLN 39 Cb -0.10 -2.85 0.04 0.00 1.10 0.00 0.00 33.01 31.20 3ks0 s GLN 39 CO 0.06 0.71 -0.07 -2.00 -0.55 0.00 0.00 175.29 173.43 3ks0 s GLU 40 N -0.91 1.65 0.24 1.67 2.12 -0.03 -1.13 118.70 122.31 3ks0 s GLU 40 Ca 0.14 -0.56 0.06 0.00 0.36 0.00 0.00 54.97 54.97 3ks0 s GLU 40 Cb -0.11 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 3ks0 s GLU 40 CO 0.03 -0.39 0.23 0.15 -0.54 0.00 0.00 175.26 174.73 3ks0 s LYS 41 N 1.58 3.06 0.73 4.30 -0.14 -0.86 -1.92 119.74 126.48 3ks0 s LYS 41 Ca 0.01 -0.95 -0.16 0.00 -1.36 0.00 0.00 55.97 53.51 3ks0 s LYS 41 Cb -0.15 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 3ks0 s LYS 41 CO -0.08 0.42 0.50 -2.30 -0.76 0.00 0.00 175.35 173.13 3ks0 n PRO 42 N -1.12 0.26 -2.80 -1.68 -0.01 -1.26 -2.18 135.00 126.21 3ks0 n PRO 42 Ca -0.08 0.13 -0.10 0.00 -0.01 0.00 0.00 63.50 63.44 3ks0 n PRO 42 Cb 0.57 -1.81 0.05 0.00 -0.01 0.00 0.00 33.50 32.31 3ks0 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 3ks0 n ASP 43 N -0.25 -2.37 -2.94 2.55 8.00 -1.26 -4.09 116.55 116.19 3ks0 n ASP 43 Ca 0.10 -0.37 -0.14 0.00 0.71 0.00 0.00 54.79 55.09 3ks0 n ASP 43 Cb 0.50 -3.22 -0.01 0.00 -0.02 0.00 0.00 41.12 38.37 3ks0 n ASP 43 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ks0 n HIS 44 N -2.79 -1.70 -3.05 1.24 8.25 -1.24 -4.82 115.22 111.10 3ks0 n HIS 44 Ca -0.15 0.20 -0.45 0.00 -0.26 0.00 0.00 57.72 57.06 3ks0 n HIS 44 Cb 0.60 -2.07 -0.02 0.00 1.12 0.00 0.00 29.99 29.62 3ks0 n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ks0 s LEU 45 N -5.81 5.52 0.15 2.41 1.43 -0.93 -4.98 118.68 116.48 3ks0 s LEU 45 Ca 0.20 -2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 50.62 3ks0 s LEU 45 Cb -0.11 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 3ks0 s LEU 45 CO 0.25 -0.83 0.61 -0.36 0.23 0.00 0.00 176.35 176.25 3ks0 s PHE 46 N 1.59 3.68 -0.10 0.29 0.40 -1.26 -2.02 117.98 120.55 3ks0 s PHE 46 Ca 0.31 1.22 -0.04 0.00 -0.60 0.00 0.00 56.93 57.83 3ks0 s PHE 46 Cb -0.06 -2.48 0.05 0.00 0.51 0.00 0.00 43.02 41.04 3ks0 s PHE 46 CO -0.07 0.45 0.21 0.99 0.70 0.00 0.00 175.22 177.49 3ks0 s THR 47 N -1.38 -0.27 0.12 0.64 2.01 -0.28 -4.98 115.64 111.50 3ks0 s THR 47 Ca 0.37 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3ks0 s THR 47 Cb -0.17 -0.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.92 3ks0 s THR 47 CO 0.20 0.12 1.16 -0.83 -0.69 0.00 0.00 174.62 174.58 3ks0 s GLY 48 N 2.10 2.62 -0.13 4.40 0.00 -1.26 0.16 107.32 115.20 3ks0 s GLY 48 Ca -0.00 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 45.44 3ks0 s GLY 48 CO -0.07 1.87 -0.27 1.04 0.00 0.00 0.00 173.10 175.67 3ks0 n LEU 49 N 3.11 1.69 -4.03 0.66 4.32 0.25 -4.73 117.00 118.27 3ks0 n LEU 49 Ca 0.06 0.28 -0.16 0.00 -0.02 0.00 0.00 56.01 56.17 3ks0 n LEU 49 Cb 0.46 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.49 3ks0 n LEU 49 CO 0.55 -0.22 -0.41 -0.63 -1.22 0.00 0.00 177.39 175.46 3ks0 s ILE 50 N -2.63 0.58 0.25 -0.08 -1.09 -1.03 -2.13 121.20 115.06 3ks0 s ILE 50 Ca -0.24 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3ks0 s ILE 50 Cb 0.05 -0.55 -0.04 0.00 -1.58 0.00 0.00 42.46 40.33 3ks0 s ILE 50 CO 0.34 -0.06 0.13 -0.83 -1.23 0.00 0.00 174.94 173.29 3ks0 s GLY 51 N -0.76 1.70 -1.56 6.18 0.00 -0.87 0.04 107.32 112.04 3ks0 s GLY 51 Ca -0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 44.72 42.81 3ks0 s GLY 51 CO 0.00 -1.51 0.63 0.61 0.00 0.00 0.00 173.10 172.83 3ks0 n GLY 52 N -0.41 -0.35 5.00 0.20 0.00 -1.08 -1.46 105.19 107.09 3ks0 n GLY 52 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3ks0 n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ks0 n THR 53 N -4.42 0.00 -2.72 2.61 -1.04 -0.28 -4.18 114.28 104.24 3ks0 n THR 53 Ca -0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 3ks0 n THR 53 Cb 0.58 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.13 3ks0 n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3ks0 n ASN 54 N 2.17 0.83 -3.81 8.00 6.94 -1.17 -3.83 115.26 124.40 3ks0 n ASN 54 Ca 0.00 -2.73 -0.30 0.00 -0.02 0.00 0.00 54.58 51.53 3ks0 n ASN 54 Cb 0.00 -0.27 -0.15 0.00 -2.36 0.00 0.00 39.78 37.00 3ks0 n ASN 54 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ks0 s LYS 55 N -2.51 0.95 0.17 -3.83 2.20 -0.54 -4.79 119.74 111.40 3ks0 s LYS 55 Ca 0.28 -1.16 -0.31 0.00 -0.36 0.00 0.00 55.97 54.41 3ks0 s LYS 55 Cb 0.44 -2.29 -0.10 0.00 -1.51 0.00 0.00 37.83 34.37 3ks0 s LYS 55 CO 0.01 -0.91 1.49 1.03 -0.36 0.00 0.00 175.35 176.61 3ks0 s ARG 56 N 1.48 4.25 0.59 4.03 0.52 -1.26 -2.06 118.95 126.49 3ks0 s ARG 56 Ca 0.07 2.28 -0.18 0.00 -0.52 0.00 0.00 55.73 57.39 3ks0 s ARG 56 Cb -0.18 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3ks0 s ARG 56 CO -0.19 -0.52 1.11 0.00 0.02 0.00 0.00 175.30 175.73 3ks0 s ALA 57 N 0.84 2.63 0.42 2.13 0.00 -0.91 -4.97 121.76 121.91 3ks0 s ALA 57 Ca 0.66 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 3ks0 s ALA 57 Cb -0.42 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 3ks0 s ALA 57 CO 0.34 -0.92 1.30 -2.30 0.00 0.00 0.00 175.76 174.18 3ks0 n PRO 58 N -1.75 2.02 -1.03 0.00 -0.02 -1.26 -2.58 135.00 130.38 3ks0 n PRO 58 Ca 0.11 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.30 3ks0 n PRO 58 Cb 0.52 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3ks0 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ks0 n GLY 59 N 0.76 0.49 3.67 -1.23 0.00 -1.26 -5.02 105.19 102.60 3ks0 n GLY 59 Ca 0.06 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 3ks0 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ks0 s VAL 60 N -1.95 5.23 0.19 1.61 1.01 -1.07 -5.06 120.40 120.37 3ks0 s VAL 60 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3ks0 s VAL 60 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 36.38 32.81 3ks0 s VAL 60 CO 0.00 0.40 0.64 -2.65 0.00 0.00 0.00 175.10 173.49 3ks0 n PRO 61 N 3.88 0.18 0.14 2.72 -0.02 -1.26 -4.88 135.00 135.77 3ks0 n PRO 61 Ca -0.16 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.51 3ks0 n PRO 61 Cb 0.52 -1.16 0.53 0.00 -0.02 0.00 0.00 33.50 33.37 3ks0 n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ks0 n ALA 62 N 0.19 1.46 1.19 3.55 0.00 -1.26 -2.28 120.51 123.35 3ks0 n ALA 62 Ca 0.17 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.82 3ks0 n ALA 62 Cb 0.24 -1.37 0.50 0.00 0.00 0.00 0.00 19.45 18.82 3ks0 n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ks0 n ARG 63 N -2.27 0.59 -3.81 0.00 1.85 -1.26 -4.51 116.66 107.25 3ks0 n ARG 63 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 3ks0 n ARG 63 Cb 0.17 -1.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 3ks0 n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3ks0 s PHE 64 N -2.00 3.11 0.13 2.89 0.40 -0.97 -0.38 117.98 121.15 3ks0 s PHE 64 Ca 0.25 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 3ks0 s PHE 64 Cb 0.12 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 3ks0 s PHE 64 CO 0.19 -0.27 -0.09 -1.54 0.70 0.00 0.00 175.22 174.21 3ks0 s SER 65 N 1.41 1.55 0.18 1.36 1.04 0.04 -4.95 113.70 114.34 3ks0 s SER 65 Ca 0.05 -0.98 0.11 0.00 0.48 0.00 0.00 55.95 55.61 3ks0 s SER 65 Cb -0.15 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 3ks0 s SER 65 CO 0.04 -0.36 -0.24 -0.83 0.98 0.00 0.00 173.24 172.82 3ks0 s GLY 66 N -3.04 1.68 0.26 7.32 0.00 -1.26 -0.45 107.32 111.83 3ks0 s GLY 66 Ca 0.14 -1.61 -0.21 0.00 0.00 0.00 0.00 44.72 43.03 3ks0 s GLY 66 CO -0.01 -1.64 0.86 -1.35 0.00 0.00 0.00 173.10 170.96 3ks0 s SER 67 N -2.60 -0.13 -0.26 1.64 1.04 -0.54 -4.45 113.70 108.41 3ks0 s SER 67 Ca 0.20 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.83 3ks0 s SER 67 Cb -0.08 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 3ks0 s SER 67 CO 0.09 -1.25 0.14 -0.76 0.98 0.00 0.00 173.24 172.45 3ks0 s LEU 68 N -3.04 3.84 -0.35 2.42 1.43 -1.26 -0.64 118.68 121.08 3ks0 s LEU 68 Ca 0.14 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3ks0 s LEU 68 Cb -0.04 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.23 3ks0 s LEU 68 CO 0.06 -0.02 0.08 -0.63 0.23 0.00 0.00 176.35 176.08 3ks0 s ILE 69 N 1.58 1.92 0.00 -0.59 1.01 0.21 -4.98 121.20 120.35 3ks0 s ILE 69 Ca 0.07 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.53 3ks0 s ILE 69 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3ks0 s ILE 69 CO 0.08 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.98 3ks0 n GLY 70 N 4.29 2.83 1.88 6.18 0.00 -1.26 -2.71 105.19 116.40 3ks0 n GLY 70 Ca 0.03 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3ks0 n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ks0 n ASP 71 N 8.14 5.61 -4.02 1.61 8.00 -1.26 -4.81 116.55 129.82 3ks0 n ASP 71 Ca 0.00 -2.93 -0.09 0.00 0.71 0.00 0.00 54.79 52.48 3ks0 n ASP 71 Cb 0.00 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.33 3ks0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ks0 s LYS 72 N -2.74 1.01 0.53 -1.24 0.00 -1.10 -1.87 119.74 114.33 3ks0 s LYS 72 Ca 0.53 -1.24 -0.13 0.00 0.00 0.00 0.00 55.97 55.14 3ks0 s LYS 72 Cb 0.41 0.32 -0.06 0.00 0.00 0.00 0.00 37.83 38.50 3ks0 s LYS 72 CO 0.15 -0.33 0.95 0.00 0.00 0.00 0.00 175.35 176.12 3ks0 s ALA 73 N -3.98 3.16 -0.03 0.59 0.00 -0.85 -0.62 121.76 120.03 3ks0 s ALA 73 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 3ks0 s ALA 73 Cb 0.05 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.19 3ks0 s ALA 73 CO -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 175.76 175.47 3ks0 s ALA 74 N -2.79 -0.22 -0.20 0.00 0.00 0.19 -0.04 121.76 118.70 3ks0 s ALA 74 Ca 0.55 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 3ks0 s ALA 74 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3ks0 s ALA 74 CO 0.41 -0.06 -0.08 -1.17 0.00 0.00 0.00 175.76 174.86 3ks0 s LEU 75 N -0.16 2.78 -0.18 0.00 2.96 0.38 -1.46 118.68 122.99 3ks0 s LEU 75 Ca -0.02 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3ks0 s LEU 75 Cb -0.02 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3ks0 s LEU 75 CO 0.00 0.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.09 3ks0 s THR 76 N 1.26 3.43 -0.26 3.68 2.01 0.41 0.62 115.64 126.78 3ks0 s THR 76 Ca 0.03 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 3ks0 s THR 76 Cb -0.14 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3ks0 s THR 76 CO -0.03 0.47 0.09 -0.63 -0.69 0.00 0.00 174.62 173.82 3ks0 s ILE 77 N 0.88 4.40 -0.40 1.82 1.01 -0.02 -0.78 121.20 128.11 3ks0 s ILE 77 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3ks0 s ILE 77 Cb -0.15 -3.09 0.10 0.00 0.01 0.00 0.00 42.46 39.34 3ks0 s ILE 77 CO 0.01 0.30 0.19 -0.89 0.00 0.00 0.00 174.94 174.54 3ks0 s THR 78 N 1.62 3.33 0.00 2.92 2.01 0.48 -0.79 115.64 125.22 3ks0 s THR 78 Ca 0.06 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.13 3ks0 s THR 78 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3ks0 s THR 78 CO 0.04 -0.61 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 3ks0 n GLY 79 N 4.62 0.38 3.80 4.40 0.00 -1.19 -4.66 105.19 112.55 3ks0 n GLY 79 Ca -0.04 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3ks0 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks0 s ALA 80 N -2.62 3.01 0.30 4.61 0.00 -0.54 -4.65 121.76 121.87 3ks0 s ALA 80 Ca 0.00 0.53 0.10 0.00 0.00 0.00 0.00 51.96 52.59 3ks0 s ALA 80 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3ks0 s ALA 80 CO 0.00 -0.06 -0.07 -0.65 0.00 0.00 0.00 175.76 174.97 3ks0 s GLN 81 N -2.96 1.97 0.49 0.00 -0.21 -1.26 -0.39 119.66 117.31 3ks0 s GLN 81 Ca 0.62 -1.70 0.19 0.00 0.02 0.00 0.00 55.36 54.49 3ks0 s GLN 81 Cb -0.15 -1.91 1.23 0.00 1.00 0.00 0.00 33.01 33.19 3ks0 s GLN 81 CO 0.19 0.26 2.02 1.79 -2.12 0.00 0.00 175.29 177.43 3ks0 h THR 82 N 2.00 0.85 0.00 -0.19 1.35 -1.91 -0.63 112.91 114.38 3ks0 h THR 82 Ca -0.42 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3ks0 h THR 82 Cb 1.25 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3ks0 h THR 82 CO 0.63 0.03 0.00 -1.84 -0.25 0.00 0.00 175.52 174.09 3ks0 n GLU 83 N -4.45 0.14 0.01 4.72 0.28 -1.26 -2.03 120.64 118.06 3ks0 n GLU 83 Ca 0.07 0.18 0.13 0.00 -0.16 0.00 0.00 57.16 57.38 3ks0 n GLU 83 Cb 0.41 -1.50 0.38 0.00 1.43 0.00 0.00 31.44 32.16 3ks0 n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ks0 n ASP 84 N -1.36 0.36 -4.55 -1.84 8.00 -0.24 -4.79 116.55 112.13 3ks0 n ASP 84 Ca 0.06 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.29 3ks0 n ASP 84 Cb 0.14 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 3ks0 n ASP 84 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ks0 n GLU 85 N -1.61 1.14 -2.58 -1.24 2.13 -0.86 -4.81 120.64 112.80 3ks0 n GLU 85 Ca 0.06 0.08 0.01 0.00 0.66 0.00 0.00 57.16 57.97 3ks0 n GLU 85 Cb 0.35 -3.34 0.00 0.00 0.27 0.00 0.00 31.44 28.73 3ks0 n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ks0 n ALA 86 N 15.06 -1.22 -2.78 4.31 0.00 -0.30 -4.95 120.51 130.63 3ks0 n ALA 86 Ca 0.37 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 3ks0 n ALA 86 Cb 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3ks0 n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ks0 s ILE 87 N -2.08 5.33 -0.12 0.00 1.01 -0.81 -0.45 121.20 124.08 3ks0 s ILE 87 Ca 0.10 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.96 3ks0 s ILE 87 Cb -0.00 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.94 3ks0 s ILE 87 CO -0.00 0.43 -0.14 -0.31 0.00 0.00 0.00 174.94 174.91 3ks0 s TYR 88 N -1.23 2.01 -0.08 3.97 1.51 0.33 -0.85 117.35 123.01 3ks0 s TYR 88 Ca 0.25 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 3ks0 s TYR 88 Cb -0.13 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 3ks0 s TYR 88 CO 0.14 -0.55 0.07 -0.06 -1.11 0.00 0.00 175.55 174.03 3ks0 s PHE 89 N 1.23 3.34 0.08 2.71 0.08 -0.21 0.66 117.98 125.87 3ks0 s PHE 89 Ca -0.01 0.32 0.05 0.00 0.12 0.00 0.00 56.93 57.40 3ks0 s PHE 89 Cb -0.14 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3ks0 s PHE 89 CO -0.06 0.58 -0.04 0.00 -0.10 0.00 0.00 175.22 175.60 3ks0 s ALA 91 N -1.22 0.23 -0.01 0.00 0.00 0.12 -2.01 121.76 118.87 3ks0 s ALA 91 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.08 3ks0 s ALA 91 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3ks0 s ALA 91 CO 0.15 0.05 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 3ks0 s LEU 92 N -0.15 2.04 -0.37 0.00 1.43 0.11 -0.80 118.68 120.93 3ks0 s LEU 92 Ca 0.00 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 3ks0 s LEU 92 Cb -0.02 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.46 3ks0 s LEU 92 CO -0.00 0.18 0.96 0.26 0.23 0.00 0.00 176.35 177.97 3ks0 s TRP 93 N -0.38 3.06 -0.03 0.29 0.52 -0.00 -0.60 118.94 121.79 3ks0 s TRP 93 Ca 0.06 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.98 3ks0 s TRP 93 Cb -0.06 -3.72 0.03 0.00 -1.15 0.00 0.00 33.47 28.57 3ks0 s TRP 93 CO -0.00 -0.86 0.00 0.34 0.02 0.00 0.00 176.95 176.45 3ks0 s ASP 94 N 1.91 0.61 -1.12 2.95 -1.08 -0.49 -4.37 116.67 115.09 3ks0 s ASP 94 Ca 0.40 -0.03 -0.23 0.00 -0.52 0.00 0.00 52.55 52.17 3ks0 s ASP 94 Cb -0.12 -0.25 0.01 0.00 -1.46 0.00 0.00 42.92 41.10 3ks0 s ASP 94 CO 0.19 -0.12 0.74 -1.20 0.52 0.00 0.00 175.17 175.31 3ks0 n SER 95 N 4.30 -5.06 -3.15 -0.34 7.64 -1.26 -1.40 113.62 114.35 3ks0 n SER 95 Ca -0.23 -1.06 -0.15 0.00 1.01 0.00 0.00 58.87 58.44 3ks0 n SER 95 Cb 0.50 -2.80 -0.02 0.00 -1.01 0.00 0.00 64.21 60.88 3ks0 n SER 95 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ks0 n ASN 96 N -2.47 -1.60 -3.95 6.43 5.03 -1.26 -4.92 115.26 112.52 3ks0 n ASN 96 Ca -0.11 -0.09 -0.19 0.00 0.87 0.00 0.00 54.58 55.06 3ks0 n ASN 96 Cb 0.59 -1.45 -0.15 0.00 -1.02 0.00 0.00 39.78 37.74 3ks0 n ASN 96 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3ks0 s HIS 97 N -2.46 0.72 -0.39 3.10 3.76 -0.49 -5.12 115.29 114.41 3ks0 s HIS 97 Ca 0.27 -0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.77 3ks0 s HIS 97 Cb -0.16 -0.55 0.01 0.00 1.11 0.00 0.00 32.58 32.99 3ks0 s HIS 97 CO 0.33 -0.10 0.81 -1.17 -0.85 0.00 0.00 174.74 173.77 3ks0 s LEU 98 N 0.35 4.12 -0.13 0.89 2.96 -1.26 -1.39 118.68 124.22 3ks0 s LEU 98 Ca -0.05 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3ks0 s LEU 98 Cb -0.09 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 3ks0 s LEU 98 CO 0.00 -0.80 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.43 3ks0 s VAL 99 N 3.23 3.24 0.11 1.68 1.01 0.23 -4.95 120.40 124.94 3ks0 s VAL 99 Ca 0.32 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 3ks0 s VAL 99 Cb -0.13 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 3ks0 s VAL 99 CO 0.19 0.53 0.49 -0.36 0.00 0.00 0.00 175.10 175.95 3ks0 s PHE 100 N 0.23 3.61 0.00 5.22 0.40 -1.26 -0.71 117.98 125.47 3ks0 s PHE 100 Ca -0.07 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 3ks0 s PHE 100 Cb -0.15 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.08 3ks0 s PHE 100 CO 0.05 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.86 3ks0 n GLY 101 N 0.93 -1.54 0.68 4.36 0.00 -0.85 -4.67 105.19 104.11 3ks0 n GLY 101 Ca -0.07 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.57 3ks0 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks0 n GLY 102 N 3.64 0.44 0.00 -0.02 0.00 -1.26 -4.88 105.19 103.11 3ks0 n GLY 102 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3ks0 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks0 n GLY 103 N 1.24 -2.33 3.56 -0.02 0.00 -1.26 -5.01 105.19 101.37 3ks0 n GLY 103 Ca 0.17 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3ks0 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ks0 s THR 104 N -2.93 4.20 -0.36 2.61 2.01 0.21 -4.57 115.64 116.81 3ks0 s THR 104 Ca 0.00 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 3ks0 s THR 104 Cb 0.00 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3ks0 s THR 104 CO 0.00 0.50 0.57 -0.75 -0.69 0.00 0.00 174.62 174.25 3ks0 s LYS 105 N 0.21 3.60 -0.24 4.92 2.47 -0.80 0.12 119.74 130.01 3ks0 s LYS 105 Ca -0.00 -0.11 -0.08 0.00 -1.56 0.00 0.00 55.97 54.22 3ks0 s LYS 105 Cb -0.13 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.38 3ks0 s LYS 105 CO 0.02 -0.72 0.08 -1.17 0.16 0.00 0.00 175.35 173.72 3ks0 s LEU 106 N 2.55 3.56 -0.11 5.43 2.96 0.40 -2.01 118.68 131.45 3ks0 s LEU 106 Ca 0.21 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 3ks0 s LEU 106 Cb -0.15 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3ks0 s LEU 106 CO 0.14 0.01 0.32 -0.89 -1.32 0.00 0.00 176.35 174.61 3ks0 s THR 107 N 1.38 5.25 -0.27 3.68 2.01 -0.14 -1.15 115.64 126.40 3ks0 s THR 107 Ca 0.05 0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.69 3ks0 s THR 107 Cb -0.15 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.79 3ks0 s THR 107 CO 0.04 0.45 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 3ks0 s VAL 108 N -0.04 1.86 -0.22 3.82 1.01 -1.25 -1.03 120.40 124.55 3ks0 s VAL 108 Ca 0.19 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.25 3ks0 s VAL 108 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3ks0 s VAL 108 CO 0.07 -0.24 1.97 -0.76 0.00 0.00 0.00 175.10 176.13 3ks0 s LEU 109 N 1.20 3.65 -0.20 3.92 1.43 0.13 -4.70 118.68 124.11 3ks0 s LEU 109 Ca -0.02 1.77 0.14 0.00 -1.03 0.00 0.00 54.13 54.99 3ks0 s LEU 109 Cb -0.19 -3.52 0.41 0.00 0.03 0.00 0.00 46.19 42.92 3ks0 s LEU 109 CO -0.08 -1.66 1.28 0.61 0.23 0.00 0.00 176.35 176.73 3ks0 n GLY 110 N 5.34 4.86 0.00 -3.19 0.00 -1.26 -4.04 105.19 106.90 3ks0 n GLY 110 Ca 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3ks0 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks0 n GLN 111 N -1.14 0.00 -1.78 1.61 10.64 -1.26 -5.15 117.38 120.31 3ks0 n GLN 111 Ca 0.21 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.99 3ks0 n GLN 111 Cb 0.78 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 30.18 3ks0 n GLN 111 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 3ks0 s PRO 112 N -2.00 3.51 0.26 2.61 0.02 -1.26 -4.91 135.00 133.23 3ks0 s PRO 112 Ca 0.00 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 3ks0 s PRO 112 Cb 0.00 -2.54 -0.14 0.00 0.02 0.00 0.00 34.50 31.84 3ks0 s PRO 112 CO 0.00 -0.94 1.22 1.63 -0.33 0.00 0.00 177.00 178.58 3ks0 n LYS 113 N -0.45 1.67 -4.52 5.54 5.02 -1.26 -4.94 118.16 119.21 3ks0 n LYS 113 Ca 0.07 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.65 3ks0 n LYS 113 Cb 0.43 -2.12 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 3ks0 n LYS 113 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3ks0 s SER 114 N -0.12 3.39 0.27 4.39 0.01 -0.31 -4.95 113.70 116.38 3ks0 s SER 114 Ca 0.64 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 57.27 3ks0 s SER 114 Cb -0.69 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.20 3ks0 s SER 114 CO 0.55 0.20 0.42 -0.94 0.41 0.00 0.00 173.24 173.89 3ks0 s SER 115 N -1.83 6.32 0.48 2.44 1.04 -1.26 -1.62 113.70 119.26 3ks0 s SER 115 Ca 0.14 0.24 -0.21 0.00 0.48 0.00 0.00 55.95 56.60 3ks0 s SER 115 Cb -0.10 -1.94 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 3ks0 s SER 115 CO 0.06 -0.14 1.08 -2.84 0.98 0.00 0.00 173.24 172.37 3ks0 s PRO 116 N -4.00 3.77 -0.54 4.02 0.02 -1.26 -4.51 135.00 132.50 3ks0 s PRO 116 Ca 0.36 1.51 -0.16 0.00 0.02 0.00 0.00 61.00 62.73 3ks0 s PRO 116 Cb -0.09 -2.21 0.12 0.00 0.02 0.00 0.00 34.50 32.33 3ks0 s PRO 116 CO 0.31 -0.48 0.51 -1.12 -0.33 0.00 0.00 177.00 175.90 3ks0 s SER 117 N -1.76 6.19 -0.02 2.53 0.01 -0.44 -4.92 113.70 115.29 3ks0 s SER 117 Ca 0.66 -1.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.05 3ks0 s SER 117 Cb -0.21 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 3ks0 s SER 117 CO 0.25 -0.87 0.46 -0.69 0.41 0.00 0.00 173.24 172.80 3ks0 s VAL 118 N 1.73 5.01 -0.02 3.43 1.01 -1.26 -1.92 120.40 128.39 3ks0 s VAL 118 Ca 0.04 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3ks0 s VAL 118 Cb -0.29 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3ks0 s VAL 118 CO 0.04 0.50 -0.00 -0.89 0.00 0.00 0.00 175.10 174.75 3ks0 s THR 119 N -0.59 0.11 -0.24 3.92 2.01 0.15 -4.96 115.64 116.05 3ks0 s THR 119 Ca 0.25 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 3ks0 s THR 119 Cb -0.17 -0.17 0.02 0.00 0.01 0.00 0.00 72.50 72.19 3ks0 s THR 119 CO 0.14 0.09 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.86 3ks0 s LEU 120 N 0.59 3.02 -0.18 4.42 2.96 -1.26 -1.64 118.68 126.60 3ks0 s LEU 120 Ca -0.05 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 52.91 3ks0 s LEU 120 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3ks0 s LEU 120 CO -0.01 -0.10 0.35 -0.36 -1.32 0.00 0.00 176.35 174.91 3ks0 s PHE 121 N 1.33 3.42 1.14 5.38 0.08 -0.50 -4.99 117.98 123.85 3ks0 s PHE 121 Ca 0.01 0.62 -0.19 0.00 0.12 0.00 0.00 56.93 57.49 3ks0 s PHE 121 Cb -0.16 -2.43 0.28 0.00 -0.57 0.00 0.00 43.02 40.14 3ks0 s PHE 121 CO -0.05 0.12 1.02 -0.35 -0.10 0.00 0.00 175.22 175.86 3ks0 n PRO 122 N 3.98 -2.97 -2.42 0.24 -0.04 -1.26 -2.57 135.00 129.97 3ks0 n PRO 122 Ca -0.10 -1.63 -0.40 0.00 -0.04 0.00 0.00 63.50 61.33 3ks0 n PRO 122 Cb 0.52 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3ks0 n PRO 122 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3ks0 s PRO 123 N -5.32 4.52 0.49 0.54 0.02 -1.25 -4.74 135.00 129.27 3ks0 s PRO 123 Ca 0.66 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 63.29 3ks0 s PRO 123 Cb -0.06 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 3ks0 s PRO 123 CO 0.51 0.09 1.33 -1.54 -0.33 0.00 0.00 177.00 177.06 3ks0 s SER 124 N -0.90 5.70 0.54 2.53 1.04 -1.26 -4.90 113.70 116.45 3ks0 s SER 124 Ca 0.47 2.71 0.22 0.00 0.48 0.00 0.00 55.95 59.83 3ks0 s SER 124 Cb -0.32 -2.63 1.49 0.00 0.10 0.00 0.00 66.02 64.65 3ks0 s SER 124 CO 0.41 -1.27 2.17 0.77 0.98 0.00 0.00 173.24 176.30 3ks0 h SER 125 N 1.92 0.00 -0.15 7.02 4.64 -2.01 -2.48 113.55 122.50 3ks0 h SER 125 Ca -0.50 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 3ks0 h SER 125 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ks0 h SER 125 CO 0.59 0.03 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.03 3ks0 h GLU 126 N 0.00 0.40 -0.06 4.77 5.08 -2.00 -3.29 114.58 119.48 3ks0 h GLU 126 Ca -0.00 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3ks0 h GLU 126 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ks0 h GLU 126 CO 0.00 0.82 -0.17 1.49 -1.00 0.00 0.00 179.01 180.16 3ks0 h GLU 127 N 0.02 0.10 -0.51 2.33 4.81 -1.77 -2.28 114.58 117.28 3ks0 h GLU 127 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3ks0 h GLU 127 Cb 0.78 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3ks0 h GLU 127 CO 0.05 0.28 0.28 -0.07 -0.73 0.00 0.00 179.01 178.82 3ks0 h LEU 128 N 0.10 0.62 -0.04 1.64 3.38 -1.50 -2.03 115.31 117.47 3ks0 h LEU 128 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ks0 h LEU 128 Cb 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ks0 h LEU 128 CO 0.02 0.50 0.10 -0.62 0.09 0.00 0.00 178.44 178.54 3ks0 n GLU 129 N -4.41 0.00 -0.40 1.13 1.02 -0.86 0.43 120.64 117.56 3ks0 n GLU 129 Ca 0.04 0.40 0.09 0.00 -0.02 0.00 0.00 57.16 57.68 3ks0 n GLU 129 Cb 0.10 -1.62 0.28 0.00 -0.02 0.00 0.00 31.44 30.18 3ks0 n GLU 129 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ks0 n THR 130 N -1.43 1.35 -3.27 2.62 -2.24 -0.76 -4.96 114.28 105.59 3ks0 n THR 130 Ca -0.00 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.42 3ks0 n THR 130 Cb 0.11 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3ks0 n THR 130 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ks0 n ASN 131 N 1.03 -5.34 -4.12 3.42 0.23 0.17 -4.95 115.26 105.70 3ks0 n ASN 131 Ca 0.21 -0.39 -0.12 0.00 -0.53 0.00 0.00 54.58 53.75 3ks0 n ASN 131 Cb 0.67 -4.32 -0.11 0.00 -2.08 0.00 0.00 39.78 33.95 3ks0 n ASN 131 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3ks0 s LYS 132 N -5.95 0.68 -0.13 -3.83 -0.14 -1.24 -1.29 119.74 107.84 3ks0 s LYS 132 Ca 0.40 -1.02 -0.06 0.00 -1.36 0.00 0.00 55.97 53.93 3ks0 s LYS 132 Cb -0.19 -0.30 0.06 0.00 -1.68 0.00 0.00 37.83 35.72 3ks0 s LYS 132 CO 0.49 0.03 0.29 0.00 -0.76 0.00 0.00 175.35 175.41 3ks0 s ALA 133 N -2.32 -0.69 -0.15 5.17 0.00 0.21 -3.29 121.76 120.68 3ks0 s ALA 133 Ca -0.00 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3ks0 s ALA 133 Cb -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.22 3ks0 s ALA 133 CO -0.02 -0.43 -0.15 0.99 0.00 0.00 0.00 175.76 176.16 3ks0 s THR 134 N 1.84 1.64 0.12 0.00 2.01 -1.26 0.80 115.64 120.79 3ks0 s THR 134 Ca -0.05 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3ks0 s THR 134 Cb -0.11 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3ks0 s THR 134 CO -0.10 0.47 0.31 -0.76 -0.69 0.00 0.00 174.62 173.85 3ks0 s LEU 135 N 1.42 4.30 -0.08 4.42 1.43 -1.02 -3.79 118.68 125.37 3ks0 s LEU 135 Ca 0.04 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3ks0 s LEU 135 Cb -0.13 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.98 3ks0 s LEU 135 CO -0.10 0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.73 3ks0 s VAL 136 N -1.64 1.32 -0.31 -1.59 1.01 -1.06 -1.17 120.40 116.95 3ks0 s VAL 136 Ca 0.38 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3ks0 s VAL 136 Cb -0.12 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.15 3ks0 s VAL 136 CO 0.27 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.77 3ks0 s THR 138 N 1.05 5.01 -0.22 0.00 -4.23 -0.65 0.32 115.64 116.91 3ks0 s THR 138 Ca 0.04 1.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.81 3ks0 s THR 138 Cb -0.19 -3.94 0.05 0.00 1.34 0.00 0.00 72.50 69.76 3ks0 s THR 138 CO -0.08 0.34 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.62 3ks0 s ILE 139 N 0.31 1.73 0.39 2.99 1.01 0.33 -0.67 121.20 127.29 3ks0 s ILE 139 Ca 0.32 -1.20 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3ks0 s ILE 139 Cb -0.17 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 3ks0 s ILE 139 CO 0.16 0.06 0.04 0.42 0.00 0.00 0.00 174.94 175.62 3ks0 s THR 140 N 1.33 1.47 -1.15 2.92 -4.23 -0.81 0.97 115.64 116.15 3ks0 s THR 140 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3ks0 s THR 140 Cb -0.18 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3ks0 s THR 140 CO -0.07 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.48 3ks0 n ASP 141 N -0.91 -3.97 -4.92 3.99 8.00 -0.80 -1.32 116.55 116.62 3ks0 n ASP 141 Ca -0.05 0.20 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 3ks0 n ASP 141 Cb 0.67 -3.41 -0.04 0.00 -0.02 0.00 0.00 41.12 38.32 3ks0 n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3ks0 s PHE 142 N -2.57 3.52 -0.29 1.24 -0.71 -0.73 -4.44 117.98 114.00 3ks0 s PHE 142 Ca 0.00 0.28 -0.13 0.00 -1.04 0.00 0.00 56.93 56.04 3ks0 s PHE 142 Cb 0.00 -1.78 0.13 0.00 -1.21 0.00 0.00 43.02 40.16 3ks0 s PHE 142 CO 0.00 0.59 0.79 -0.47 -1.34 0.00 0.00 175.22 174.79 3ks0 s TYR 143 N -1.49 -1.01 0.75 3.49 5.04 -0.64 -0.45 117.35 123.03 3ks0 s TYR 143 Ca 0.34 1.83 -0.14 0.00 -2.44 0.00 0.00 57.07 56.67 3ks0 s TYR 143 Cb -0.13 0.61 0.05 0.00 0.35 0.00 0.00 41.96 42.83 3ks0 s TYR 143 CO 0.27 -0.50 1.16 -2.14 -1.34 0.00 0.00 175.55 173.00 3ks0 s PRO 144 N 2.31 2.14 0.00 4.97 0.02 -1.26 -1.16 135.00 142.02 3ks0 s PRO 144 Ca -0.06 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3ks0 s PRO 144 Cb -0.08 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.59 3ks0 s PRO 144 CO -0.18 -1.79 0.20 0.41 -0.33 0.00 0.00 177.00 175.31 3ks0 n GLY 145 N -0.05 0.42 3.41 0.52 0.00 -1.26 -4.81 105.19 103.41 3ks0 n GLY 145 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3ks0 n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ks0 s VAL 146 N 0.59 3.46 0.01 1.61 1.01 -1.26 -4.75 120.40 121.07 3ks0 s VAL 146 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3ks0 s VAL 146 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3ks0 s VAL 146 CO 0.00 0.49 0.08 0.54 0.00 0.00 0.00 175.10 176.21 3ks0 s VAL 147 N 0.64 0.09 -0.12 2.92 0.11 -1.26 -4.72 120.40 118.06 3ks0 s VAL 147 Ca -0.04 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 3ks0 s VAL 147 Cb -0.15 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 3ks0 s VAL 147 CO 0.02 -0.41 -0.15 0.42 -3.33 0.00 0.00 175.10 171.65 3ks0 s THR 148 N -1.39 1.52 -0.10 5.04 -4.23 -1.11 -5.00 115.64 110.37 3ks0 s THR 148 Ca -0.15 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 3ks0 s THR 148 Cb -0.08 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3ks0 s THR 148 CO 0.01 0.45 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.80 3ks0 s VAL 149 N 1.13 3.94 0.03 2.29 1.01 -1.26 -1.33 120.40 126.21 3ks0 s VAL 149 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3ks0 s VAL 149 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3ks0 s VAL 149 CO -0.04 0.57 -0.10 -1.81 0.00 0.00 0.00 175.10 173.72 3ks0 s ASP 150 N -0.47 1.15 0.20 3.32 1.01 0.60 -4.96 116.67 117.52 3ks0 s ASP 150 Ca 0.07 -0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.04 3ks0 s ASP 150 Cb -0.12 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.72 3ks0 s ASP 150 CO 0.02 -0.04 -0.14 0.26 0.21 0.00 0.00 175.17 175.49 3ks0 s TRP 151 N -0.85 2.51 -0.06 4.23 0.52 -1.26 0.49 118.94 124.53 3ks0 s TRP 151 Ca -0.02 -0.27 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 3ks0 s TRP 151 Cb -0.07 -1.20 0.04 0.00 -1.15 0.00 0.00 33.47 31.08 3ks0 s TRP 151 CO 0.01 0.54 0.12 0.15 0.02 0.00 0.00 176.95 177.79 3ks0 s LYS 152 N -2.94 0.06 -0.17 4.98 1.02 -0.81 -1.78 119.74 120.10 3ks0 s LYS 152 Ca 0.25 0.33 0.01 0.00 0.02 0.00 0.00 55.97 56.58 3ks0 s LYS 152 Cb -0.08 -0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 3ks0 s LYS 152 CO 0.14 -0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.29 3ks0 s VAL 153 N 1.14 2.00 -1.98 3.17 1.01 -0.40 -0.75 120.40 124.58 3ks0 s VAL 153 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3ks0 s VAL 153 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3ks0 s VAL 153 CO -0.05 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.05 3ks0 n ASP 154 N 4.58 -5.61 0.00 3.32 9.92 0.12 -1.74 116.55 127.14 3ks0 n ASP 154 Ca -0.20 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 3ks0 n ASP 154 Cb 0.50 -4.82 0.00 0.00 -0.64 0.00 0.00 41.12 36.16 3ks0 n ASP 154 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ks0 n GLY 155 N -0.68 0.41 3.52 0.44 0.00 -1.26 -4.99 105.19 102.64 3ks0 n GLY 155 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3ks0 n GLY 155 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ks0 s THR 156 N -2.10 3.48 0.24 2.61 -1.32 -0.71 -5.05 115.64 112.78 3ks0 s THR 156 Ca 0.00 -0.55 -0.31 0.00 -1.21 0.00 0.00 61.69 59.61 3ks0 s THR 156 Cb 0.00 -2.42 -0.12 0.00 -1.51 0.00 0.00 72.50 68.45 3ks0 s THR 156 CO 0.00 0.58 1.69 -2.84 -2.21 0.00 0.00 174.62 171.84 3ks0 s PRO 157 N -0.55 4.12 -0.04 7.08 0.02 -1.26 -1.28 135.00 143.09 3ks0 s PRO 157 Ca 0.08 2.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3ks0 s PRO 157 Cb -0.12 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 3ks0 s PRO 157 CO 0.02 -0.72 1.03 0.08 -0.33 0.00 0.00 177.00 177.07 3ks0 s VAL 158 N 0.78 4.71 -0.01 3.83 1.01 -0.74 -4.88 120.40 125.10 3ks0 s VAL 158 Ca 0.71 1.96 -0.00 0.00 0.00 0.00 0.00 61.98 64.65 3ks0 s VAL 158 Cb -0.49 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 3ks0 s VAL 158 CO 0.38 0.09 0.04 0.74 0.00 0.00 0.00 175.10 176.35 3ks0 h THR 159 N 4.89 0.00 -1.81 3.92 2.02 -1.92 -3.45 112.91 116.57 3ks0 h THR 159 Ca -0.37 -0.13 -0.46 0.00 0.77 0.00 0.00 66.41 66.22 3ks0 h THR 159 Cb 1.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3ks0 h THR 159 CO 0.80 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 176.31 3ks0 s GLN 160 N -1.17 2.98 0.00 6.66 -2.07 -1.26 -4.70 119.66 120.10 3ks0 s GLN 160 Ca -0.00 -1.12 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 3ks0 s GLN 160 Cb 0.00 -2.70 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 3ks0 s GLN 160 CO 0.00 0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.45 3ks0 n GLY 161 N -1.55 0.64 3.39 2.60 0.00 -1.26 -4.97 105.19 104.04 3ks0 n GLY 161 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3ks0 n GLY 161 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ks0 s MET 162 N -0.83 2.74 0.06 1.61 0.00 -1.26 -1.23 119.30 120.39 3ks0 s MET 162 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 55.69 55.02 3ks0 s MET 162 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 34.83 32.42 3ks0 s MET 162 CO 0.00 0.45 -0.23 -2.00 0.00 0.00 0.00 175.02 173.24 3ks0 s GLU 163 N -0.29 1.52 -0.10 3.16 2.12 -1.14 -5.02 118.70 118.94 3ks0 s GLU 163 Ca 0.02 -1.06 0.02 0.00 0.36 0.00 0.00 54.97 54.31 3ks0 s GLU 163 Cb -0.13 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.57 3ks0 s GLU 163 CO 0.03 0.43 -0.16 0.99 -0.54 0.00 0.00 175.26 176.01 3ks0 s THR 164 N -0.85 1.53 0.63 -1.70 2.01 -1.26 -1.74 115.64 114.26 3ks0 s THR 164 Ca 0.10 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 3ks0 s THR 164 Cb -0.09 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3ks0 s THR 164 CO 0.02 0.45 1.21 0.42 -0.69 0.00 0.00 174.62 176.03 3ks0 s THR 165 N 0.84 2.55 0.43 -0.82 -4.23 -0.86 -4.98 115.64 108.58 3ks0 s THR 165 Ca -0.09 0.32 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 3ks0 s THR 165 Cb -0.15 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.55 3ks0 s THR 165 CO 0.01 -0.09 1.37 -1.58 -0.54 0.00 0.00 174.62 173.78 3ks0 s GLN 166 N -3.50 3.82 0.20 3.99 2.00 -1.26 -4.61 119.66 120.30 3ks0 s GLN 166 Ca 0.77 2.29 -0.31 0.00 -2.00 0.00 0.00 55.36 56.10 3ks0 s GLN 166 Cb -0.30 -2.70 -0.11 0.00 0.80 0.00 0.00 33.01 30.70 3ks0 s GLN 166 CO 0.37 -0.66 1.63 -2.14 -0.50 0.00 0.00 175.29 173.98 3ks0 s PRO 167 N -2.35 4.17 -0.06 1.67 0.02 -1.26 -4.83 135.00 132.35 3ks0 s PRO 167 Ca 0.59 2.49 0.05 0.00 0.02 0.00 0.00 61.00 64.15 3ks0 s PRO 167 Cb -0.41 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 3ks0 s PRO 167 CO 0.52 -0.66 -0.20 -1.54 -0.33 0.00 0.00 177.00 174.80 3ks0 s SER 168 N 1.03 3.53 0.01 2.53 1.04 -0.78 -4.94 113.70 116.11 3ks0 s SER 168 Ca 0.70 -0.36 -0.34 0.00 0.48 0.00 0.00 55.95 56.43 3ks0 s SER 168 Cb -0.47 -0.83 -0.13 0.00 0.10 0.00 0.00 66.02 64.70 3ks0 s SER 168 CO 0.34 0.29 1.75 1.17 0.98 0.00 0.00 173.24 177.77 3ks0 n LYS 169 N 2.67 2.12 -2.65 4.02 4.81 -1.26 -1.74 118.16 126.13 3ks0 n LYS 169 Ca -0.17 0.77 -0.30 0.00 -0.87 0.00 0.00 58.31 57.74 3ks0 n LYS 169 Cb 0.52 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 32.97 3ks0 n LYS 169 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3ks0 s GLN 170 N 2.77 3.73 0.46 1.64 -0.21 0.13 -4.93 119.66 123.25 3ks0 s GLN 170 Ca 0.87 0.50 0.28 0.00 0.02 0.00 0.00 55.36 57.04 3ks0 s GLN 170 Cb -0.70 -2.32 1.35 0.00 1.00 0.00 0.00 33.01 32.33 3ks0 s GLN 170 CO 0.47 -0.16 1.74 0.66 -2.12 0.00 0.00 175.29 175.88 3ks0 h SER 171 N 0.83 0.24 -0.35 5.90 4.64 -1.96 0.36 113.55 123.21 3ks0 h SER 171 Ca -0.47 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 3ks0 h SER 171 Cb 1.19 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 3ks0 h SER 171 CO 0.63 -0.00 0.10 -0.46 -0.87 0.00 0.00 176.83 176.22 3ks0 n ASN 172 N -4.46 3.35 -0.06 4.97 0.23 -1.26 -4.94 115.26 113.08 3ks0 n ASN 172 Ca 0.29 -2.56 -0.01 0.00 -0.53 0.00 0.00 54.58 51.77 3ks0 n ASN 172 Cb 1.17 -0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3ks0 n ASN 172 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ks0 n ASN 173 N 0.12 -5.40 -4.28 0.53 5.03 0.13 -4.99 115.26 106.40 3ks0 n ASN 173 Ca 0.18 0.02 -0.19 0.00 0.87 0.00 0.00 54.58 55.47 3ks0 n ASN 173 Cb 0.83 -2.97 0.09 0.00 -1.02 0.00 0.00 39.78 36.71 3ks0 n ASN 173 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ks0 n LYS 174 N 0.09 0.22 -4.38 3.52 5.02 -1.26 -4.84 118.16 116.53 3ks0 n LYS 174 Ca -0.01 -2.43 -0.22 0.00 -2.02 0.00 0.00 58.31 53.63 3ks0 n LYS 174 Cb 0.41 -0.44 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 3ks0 n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ks0 s TYR 175 N -2.41 1.94 0.24 2.13 1.51 0.40 0.17 117.35 121.33 3ks0 s TYR 175 Ca 0.55 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 3ks0 s TYR 175 Cb -0.04 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 3ks0 s TYR 175 CO 0.36 0.45 0.01 0.00 -1.11 0.00 0.00 175.55 175.26 3ks0 s MET 176 N -3.23 1.36 -0.14 -0.62 0.23 -0.71 -1.78 119.30 114.41 3ks0 s MET 176 Ca 0.22 -1.69 -0.33 0.00 -1.03 0.00 0.00 55.69 52.85 3ks0 s MET 176 Cb -0.04 -0.59 0.13 0.00 -1.53 0.00 0.00 34.83 32.80 3ks0 s MET 176 CO 0.09 -0.12 1.12 0.00 -2.03 0.00 0.00 175.02 174.08 3ks0 s ALA 177 N -3.45 -2.00 0.03 3.16 0.00 0.27 -1.87 121.76 117.90 3ks0 s ALA 177 Ca 0.30 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.73 3ks0 s ALA 177 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3ks0 s ALA 177 CO 0.09 -0.60 -0.08 -1.54 0.00 0.00 0.00 175.76 173.63 3ks0 s SER 178 N -2.20 0.92 -0.03 0.00 1.04 -1.26 0.12 113.70 112.30 3ks0 s SER 178 Ca 0.08 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.11 3ks0 s SER 178 Cb -0.01 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3ks0 s SER 178 CO -0.06 -0.12 -0.18 -0.55 0.98 0.00 0.00 173.24 173.30 3ks0 s SER 179 N -1.26 2.22 0.00 7.02 0.15 0.15 -2.03 113.70 119.95 3ks0 s SER 179 Ca -0.06 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3ks0 s SER 179 Cb -0.08 -0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3ks0 s SER 179 CO 0.00 0.21 -0.04 -0.31 1.20 0.00 0.00 173.24 174.30 3ks0 s TYR 180 N -0.27 2.96 -0.50 3.44 2.02 -0.71 -0.26 117.35 124.02 3ks0 s TYR 180 Ca 0.03 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 3ks0 s TYR 180 Cb -0.09 -1.63 0.13 0.00 -0.40 0.00 0.00 41.96 39.97 3ks0 s TYR 180 CO 0.00 0.41 0.26 -1.17 -1.57 0.00 0.00 175.55 173.48 3ks0 s LEU 181 N -1.50 4.71 0.12 -1.29 2.96 -0.32 -2.89 118.68 120.48 3ks0 s LEU 181 Ca 0.18 -2.72 -0.28 0.00 -0.22 0.00 0.00 54.13 51.09 3ks0 s LEU 181 Cb -0.11 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 3ks0 s LEU 181 CO 0.09 -0.32 0.90 -0.89 -1.32 0.00 0.00 176.35 174.80 3ks0 s THR 182 N 0.13 4.47 0.07 3.68 2.01 -0.36 -2.42 115.64 123.21 3ks0 s THR 182 Ca 0.15 1.94 -0.04 0.00 0.31 0.00 0.00 61.69 64.05 3ks0 s THR 182 Cb -0.23 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 3ks0 s THR 182 CO -0.03 0.38 0.07 -0.76 -0.69 0.00 0.00 174.62 173.59 3ks0 s LEU 183 N -0.33 1.98 0.60 4.42 1.43 0.24 -4.76 118.68 122.26 3ks0 s LEU 183 Ca 0.43 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3ks0 s LEU 183 Cb -0.23 0.57 -0.03 0.00 0.03 0.00 0.00 46.19 46.53 3ks0 s LEU 183 CO 0.28 -0.67 1.07 0.42 0.23 0.00 0.00 176.35 177.68 3ks0 s THR 184 N -3.91 3.69 0.42 5.49 -4.23 -1.26 0.65 115.64 116.48 3ks0 s THR 184 Ca 0.07 0.81 0.12 0.00 -1.18 0.00 0.00 61.69 61.51 3ks0 s THR 184 Cb 0.07 -3.33 0.32 0.00 1.34 0.00 0.00 72.50 70.89 3ks0 s THR 184 CO -0.09 -0.46 1.98 0.00 -0.54 0.00 0.00 174.62 175.50 3ks0 h ALA 185 N 0.40 1.93 0.55 3.99 0.00 -1.37 -1.95 119.26 122.81 3ks0 h ALA 185 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3ks0 h ALA 185 Cb 1.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ks0 h ALA 185 CO 0.57 -0.05 -0.41 0.07 0.00 0.00 0.00 179.25 179.42 3ks0 h ARG 186 N 0.49 -0.90 -0.76 0.00 -0.00 -1.93 -1.28 114.38 110.00 3ks0 h ARG 186 Ca 0.28 0.06 0.15 0.00 -0.00 0.00 0.00 59.98 60.47 3ks0 h ARG 186 Cb 0.44 0.20 -0.10 0.00 -0.00 0.00 0.00 29.97 30.52 3ks0 h ARG 186 CO -0.08 -0.60 0.27 0.00 -0.00 0.00 0.00 179.97 179.56 3ks0 h ALA 187 N -0.65 1.05 -0.45 0.08 0.00 -1.82 -1.51 119.26 115.96 3ks0 h ALA 187 Ca -0.06 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ks0 h ALA 187 Cb 0.79 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ks0 h ALA 187 CO 0.02 -0.26 0.12 2.35 0.00 0.00 0.00 179.25 181.47 3ks0 h TRP 188 N 0.39 0.68 -0.27 0.00 2.91 -1.18 -2.92 115.95 115.55 3ks0 h TRP 188 Ca 0.42 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.34 3ks0 h TRP 188 Cb 0.68 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 3ks0 h TRP 188 CO -0.19 0.58 -0.03 0.93 -1.03 0.00 0.00 178.44 178.69 3ks0 h GLU 189 N 0.65 0.51 -0.83 2.65 5.08 -0.26 -3.29 114.58 119.09 3ks0 h GLU 189 Ca 0.15 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3ks0 h GLU 189 Cb 0.23 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3ks0 h GLU 189 CO -0.00 0.69 0.55 0.00 -1.00 0.00 0.00 179.01 179.25 3ks0 h ARG 190 N 0.27 1.04 -6.25 2.33 3.08 -1.19 -3.44 114.38 110.22 3ks0 h ARG 190 Ca 0.07 -0.06 -0.46 0.00 0.07 0.00 0.00 59.98 59.60 3ks0 h ARG 190 Cb 0.49 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3ks0 h ARG 190 CO 0.02 0.69 -0.40 -1.01 -1.07 0.00 0.00 179.97 178.20 3ks0 s HIS 191 N -5.90 3.20 -0.05 3.04 3.76 -1.12 -5.05 115.29 113.18 3ks0 s HIS 191 Ca -0.11 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3ks0 s HIS 191 Cb 0.18 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 3ks0 s HIS 191 CO 0.79 0.20 -0.01 0.45 -0.85 0.00 0.00 174.74 175.32 3ks0 n SER 192 N -1.50 3.84 -4.29 1.40 2.88 -1.26 -4.92 113.62 109.77 3ks0 n SER 192 Ca -0.04 -0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.20 3ks0 n SER 192 Cb 0.58 0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 64.22 3ks0 n SER 192 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ks0 s SER 193 N -3.89 2.84 -0.16 -3.46 0.15 -1.26 -3.50 113.70 104.42 3ks0 s SER 193 Ca -0.04 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 3ks0 s SER 193 Cb 0.01 -0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 3ks0 s SER 193 CO 0.15 0.26 0.33 -0.31 1.20 0.00 0.00 173.24 174.87 3ks0 s TYR 194 N -0.67 -0.56 0.06 3.44 1.51 0.21 0.16 117.35 121.49 3ks0 s TYR 194 Ca 0.10 1.18 0.04 0.00 -1.01 0.00 0.00 57.07 57.38 3ks0 s TYR 194 Cb -0.09 0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 3ks0 s TYR 194 CO 0.00 -0.38 -0.12 -1.12 -1.11 0.00 0.00 175.55 172.82 3ks0 s SER 195 N 2.20 1.42 -0.08 2.29 0.01 0.07 0.22 113.70 119.83 3ks0 s SER 195 Ca -0.03 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.71 3ks0 s SER 195 Cb -0.11 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.08 3ks0 s SER 195 CO -0.11 -0.09 -0.22 0.00 0.41 0.00 0.00 173.24 173.24 3ks0 s GLN 197 N 0.29 2.19 -0.17 0.00 -0.21 0.18 -2.67 119.66 119.27 3ks0 s GLN 197 Ca -0.15 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3ks0 s GLN 197 Cb -0.16 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.09 3ks0 s GLN 197 CO 0.07 0.03 -0.13 0.08 -2.12 0.00 0.00 175.29 173.22 3ks0 s VAL 198 N 0.70 1.64 -0.27 1.09 1.01 -1.05 -0.29 120.40 123.23 3ks0 s VAL 198 Ca -0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3ks0 s VAL 198 Cb -0.16 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3ks0 s VAL 198 CO 0.03 0.36 0.15 -0.89 0.00 0.00 0.00 175.10 174.75 3ks0 s THR 199 N 1.44 4.97 -0.00 3.92 2.01 -0.44 -0.25 115.64 127.29 3ks0 s THR 199 Ca 0.03 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3ks0 s THR 199 Cb -0.14 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3ks0 s THR 199 CO -0.10 0.29 -0.00 -2.28 -0.69 0.00 0.00 174.62 171.84 3ks0 s HIS 200 N 1.66 0.03 -0.66 4.92 5.04 -1.05 -2.74 115.29 122.48 3ks0 s HIS 200 Ca 0.07 0.00 -0.16 0.00 -1.54 0.00 0.00 55.06 53.43 3ks0 s HIS 200 Cb -0.16 -0.03 0.02 0.00 0.04 0.00 0.00 32.58 32.45 3ks0 s HIS 200 CO 0.08 -0.01 0.39 0.39 -2.34 0.00 0.00 174.74 173.25 3ks0 n GLU 201 N 3.15 -0.64 0.00 2.88 -0.58 -1.26 -3.35 120.64 120.84 3ks0 n GLU 201 Ca -0.13 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3ks0 n GLU 201 Cb 0.59 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 3ks0 n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ks0 n GLY 202 N -1.51 1.08 3.43 0.62 0.00 -1.26 -4.98 105.19 102.56 3ks0 n GLY 202 Ca -0.10 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3ks0 n GLY 202 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ks0 n HIS 203 N 0.00 -1.02 -4.59 1.61 1.44 -1.21 -4.95 115.22 106.49 3ks0 n HIS 203 Ca 0.00 0.11 -0.34 0.00 -2.01 0.00 0.00 57.72 55.48 3ks0 n HIS 203 Cb 0.00 -1.72 -0.12 0.00 0.12 0.00 0.00 29.99 28.27 3ks0 n HIS 203 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3ks0 s THR 204 N -2.39 3.65 -0.34 0.61 2.01 -1.26 -2.54 115.64 115.38 3ks0 s THR 204 Ca 0.62 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 3ks0 s THR 204 Cb -0.20 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 69.82 3ks0 s THR 204 CO 0.65 0.56 0.12 -0.69 -0.69 0.00 0.00 174.62 174.57 3ks0 s VAL 205 N -0.33 3.94 -0.17 3.82 1.01 0.66 -4.93 120.40 124.40 3ks0 s VAL 205 Ca 0.05 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 3ks0 s VAL 205 Cb -0.13 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3ks0 s VAL 205 CO 0.02 -0.17 0.00 -0.70 0.00 0.00 0.00 175.10 174.25 3ks0 s GLU 206 N 1.44 3.78 -0.18 2.72 2.12 -1.26 -2.54 118.70 124.78 3ks0 s GLU 206 Ca -0.01 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 3ks0 s GLU 206 Cb -0.19 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 3ks0 s GLU 206 CO 0.04 0.24 -0.11 0.15 -0.54 0.00 0.00 175.26 175.03 3ks0 s LYS 207 N 0.40 3.28 0.30 4.30 3.01 -1.09 -5.04 119.74 124.90 3ks0 s LYS 207 Ca -0.01 -0.70 0.09 0.00 -1.01 0.00 0.00 55.97 54.33 3ks0 s LYS 207 Cb -0.14 -2.76 -0.04 0.00 -1.01 0.00 0.00 37.83 33.89 3ks0 s LYS 207 CO 0.02 -0.05 0.09 0.45 0.51 0.00 0.00 175.35 176.37 3ks0 s SER 208 N 1.01 4.72 -0.28 2.83 0.15 -1.26 -2.61 113.70 118.26 3ks0 s SER 208 Ca -0.01 -0.66 -0.22 0.00 0.70 0.00 0.00 55.95 55.76 3ks0 s SER 208 Cb -0.15 -0.85 0.08 0.00 -1.71 0.00 0.00 66.02 63.39 3ks0 s SER 208 CO -0.02 -0.14 0.77 -0.22 1.20 0.00 0.00 173.24 174.83 3ks0 s LEU 209 N -3.77 -0.75 -0.17 3.45 2.96 0.13 -4.97 118.68 115.56 3ks0 s LEU 209 Ca 0.34 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3ks0 s LEU 209 Cb -0.05 2.33 0.06 0.00 0.50 0.00 0.00 46.19 49.02 3ks0 s LEU 209 CO 0.22 -0.23 0.05 -0.94 -1.32 0.00 0.00 176.35 174.13 3ks0 s SER 210 N 0.77 2.59 0.00 3.68 1.04 -1.26 0.67 113.70 121.19 3ks0 s SER 210 Ca -0.03 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3ks0 s SER 210 Cb -0.05 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.60 3ks0 s SER 210 CO -0.07 -0.31 0.00 -2.65 0.98 0.00 0.00 173.24 171.19 3ks0 n PRO 211 N 5.13 -0.12 0.00 4.02 -0.02 -1.23 -5.01 135.00 137.77 3ks0 n PRO 211 Ca -0.08 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3ks0 n PRO 211 Cb 0.48 0.11 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3ks0 n PRO 211 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48