#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjx s LEU 9 N 0.00 3.49 0.39 2.45 1.43 -1.26 -5.06 118.68 120.12 3kjx s LEU 9 Ca 0.00 2.02 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 3kjx s LEU 9 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3kjx s LEU 9 CO 0.00 -1.47 0.14 0.42 0.23 0.00 0.00 176.35 175.67 3kjx s THR 10 N -2.21 0.54 0.29 5.49 -4.23 -1.26 -5.03 115.64 109.24 3kjx s THR 10 Ca 0.68 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3kjx s THR 10 Cb -0.21 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.51 3kjx s THR 10 CO 0.37 0.00 1.96 0.25 -0.54 0.00 0.00 174.62 176.66 3kjx h LEU 11 N 1.86 0.97 -1.18 4.79 5.85 -1.99 -1.70 115.31 123.92 3kjx h LEU 11 Ca -0.34 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.50 3kjx h LEU 11 Cb 1.27 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 3kjx h LEU 11 CO 0.55 0.69 0.60 -0.09 -0.34 0.00 0.00 178.44 179.85 3kjx h ARG 12 N 1.14 0.77 -0.46 1.25 2.43 -1.96 0.45 114.38 117.99 3kjx h ARG 12 Ca 0.32 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3kjx h ARG 12 Cb -0.10 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 3kjx h ARG 12 CO -0.07 0.51 0.02 -0.44 -1.51 0.00 0.00 179.97 178.47 3kjx h ASP 13 N 0.79 0.78 -0.13 -3.80 3.32 -1.71 -0.32 116.42 115.34 3kjx h ASP 13 Ca 0.48 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3kjx h ASP 13 Cb 0.68 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3kjx h ASP 13 CO -0.24 0.89 -0.33 0.58 -1.72 0.00 0.00 179.24 178.41 3kjx h VAL 14 N 0.66 1.29 0.18 -1.35 2.07 -0.91 -2.52 116.25 115.66 3kjx h VAL 14 Ca 0.13 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3kjx h VAL 14 Cb 0.48 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3kjx h VAL 14 CO 0.02 0.47 -0.08 -1.28 0.02 0.00 0.00 177.57 176.72 3kjx h SER 15 N 0.53 -0.20 -0.30 0.57 0.87 0.06 -0.56 113.55 114.54 3kjx h SER 15 Ca 0.06 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3kjx h SER 15 Cb 0.83 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 3kjx h SER 15 CO 0.07 0.02 0.05 -0.33 -0.53 0.00 0.00 176.83 176.11 3kjx h GLU 16 N -0.42 0.59 0.00 2.24 5.08 -1.05 0.16 114.58 121.18 3kjx h GLU 16 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3kjx h GLU 16 Cb 0.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kjx h GLU 16 CO 0.04 0.57 -0.28 0.00 -1.00 0.00 0.00 179.01 178.34 3kjx h ALA 17 N 1.50 0.84 0.00 3.43 0.00 -1.44 -3.31 119.26 120.28 3kjx h ALA 17 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3kjx h ALA 17 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3kjx h ALA 17 CO 0.00 0.00 -1.86 0.45 0.00 0.00 0.00 179.25 177.85 3kjx n SER 18 N -2.58 0.56 0.00 0.00 2.88 -0.22 -4.95 113.62 109.30 3kjx n SER 18 Ca 0.04 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3kjx n SER 18 Cb 0.48 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 3kjx n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kjx n GLY 19 N 1.56 0.76 3.57 0.46 0.00 0.52 -4.89 105.19 107.17 3kjx n GLY 19 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3kjx n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjx s VAL 20 N -2.76 2.44 0.54 1.61 -7.23 -1.15 -5.04 120.40 108.80 3kjx s VAL 20 Ca 0.00 -2.13 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 3kjx s VAL 20 Cb 0.00 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 3kjx s VAL 20 CO 0.00 -0.22 1.15 -0.94 -0.31 0.00 0.00 175.10 174.77 3kjx s SER 21 N -3.64 5.67 0.00 4.85 1.04 -1.26 -4.52 113.70 115.83 3kjx s SER 21 Ca 0.33 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.99 3kjx s SER 21 Cb 0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3kjx s SER 21 CO 0.17 -1.26 0.00 -0.62 0.98 0.00 0.00 173.24 172.52 3kjx n GLU 22 N -1.27 0.00 0.00 4.02 1.02 -1.26 -1.33 120.64 121.82 3kjx n GLU 22 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3kjx n GLU 22 Cb 0.50 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3kjx n GLU 22 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kjx n THR 24 N 1.60 0.00 -0.19 2.62 -1.04 -1.26 -0.91 114.28 115.10 3kjx n THR 24 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3kjx n THR 24 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3kjx n THR 24 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3kjx h VAL 25 N 0.00 1.12 -0.77 12.58 2.07 -1.53 -0.96 116.25 128.76 3kjx h VAL 25 Ca 0.00 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kjx h VAL 25 Cb 0.00 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3kjx h VAL 25 CO 0.00 0.13 0.47 -1.28 0.02 0.00 0.00 177.57 176.91 3kjx h SER 26 N 0.72 0.92 -0.08 0.57 0.87 -1.29 -0.36 113.55 114.91 3kjx h SER 26 Ca 0.20 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 3kjx h SER 26 Cb -0.06 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3kjx h SER 26 CO -0.05 0.71 -0.21 0.03 -0.53 0.00 0.00 176.83 176.77 3kjx h ARG 27 N 1.05 0.48 0.03 2.24 3.08 -1.68 0.66 114.38 120.26 3kjx h ARG 27 Ca 0.28 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3kjx h ARG 27 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3kjx h ARG 27 CO -0.05 0.67 -0.02 0.28 -1.07 0.00 0.00 179.97 179.78 3kjx h VAL 28 N 0.43 1.24 0.53 2.04 2.07 -0.67 -0.13 116.25 121.76 3kjx h VAL 28 Ca 0.07 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3kjx h VAL 28 Cb 0.61 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3kjx h VAL 28 CO 0.04 0.22 -0.25 -0.07 0.02 0.00 0.00 177.57 177.53 3kjx h LEU 29 N -0.42 -0.60 0.00 2.57 4.07 -0.92 -2.63 115.31 117.37 3kjx h LEU 29 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3kjx h LEU 29 Cb 0.39 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3kjx h LEU 29 CO 0.01 -0.25 0.00 0.54 -1.08 0.00 0.00 178.44 177.66 3kjx n ARG 30 N -5.29 0.23 -3.93 1.13 5.12 0.23 -4.84 116.66 109.31 3kjx n ARG 30 Ca -0.11 0.10 -0.35 0.00 -1.93 0.00 0.00 57.85 55.56 3kjx n ARG 30 Cb 0.32 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 3kjx n ARG 30 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kjx n ASN 31 N -1.14 -3.18 -0.01 0.55 2.85 -0.47 -4.88 115.26 108.98 3kjx n ASN 31 Ca 0.06 -1.13 -0.01 0.00 -0.11 0.00 0.00 54.58 53.39 3kjx n ASN 31 Cb 0.06 -2.60 -0.02 0.00 1.24 0.00 0.00 39.78 38.45 3kjx n ASN 31 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3kjx n ARG 32 N -4.55 2.98 0.00 1.20 0.63 -0.19 -5.03 116.66 111.71 3kjx n ARG 32 Ca -0.17 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3kjx n ARG 32 Cb 0.61 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.45 3kjx n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kjx n GLY 33 N 2.74 -1.24 0.52 5.14 0.00 -1.18 -5.00 105.19 106.16 3kjx n GLY 33 Ca -0.04 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.48 3kjx n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kjx n ASP 34 N 0.00 0.91 -4.67 1.61 5.75 -1.26 -5.06 116.55 113.82 3kjx n ASP 34 Ca 0.00 -2.44 -0.44 0.00 -0.01 0.00 0.00 54.79 51.90 3kjx n ASP 34 Cb 0.00 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 3kjx n ASP 34 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3kjx n VAL 35 N -0.42 1.49 -0.93 2.12 0.31 -1.26 -4.95 118.33 114.69 3kjx n VAL 35 Ca 0.07 -0.37 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 3kjx n VAL 35 Cb 0.74 -1.47 0.14 0.00 -0.91 0.00 0.00 33.84 32.34 3kjx n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3kjx s SER 36 N -0.04 3.38 0.37 4.52 1.04 -1.26 -4.75 113.70 116.96 3kjx s SER 36 Ca 0.62 2.21 0.27 0.00 0.48 0.00 0.00 55.95 59.53 3kjx s SER 36 Cb -0.62 -2.57 1.08 0.00 0.10 0.00 0.00 66.02 64.01 3kjx s SER 36 CO 0.56 -2.80 1.81 0.44 0.98 0.00 0.00 173.24 174.23 3kjx h ASP 37 N -1.40 0.00 -0.08 7.02 5.19 -1.97 0.19 116.42 125.37 3kjx h ASP 37 Ca -0.44 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.91 3kjx h ASP 37 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3kjx h ASP 37 CO 0.44 0.00 -0.18 0.00 -3.12 0.00 0.00 179.24 176.38 3kjx h ALA 38 N 2.18 0.13 0.05 3.45 0.00 -1.98 -1.68 119.26 121.40 3kjx h ALA 38 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 3kjx h ALA 38 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kjx h ALA 38 CO 0.00 0.07 -1.23 0.00 0.00 0.00 0.00 179.25 178.08 3kjx h THR 39 N -0.21 1.47 -0.32 0.00 1.03 -1.91 -2.17 112.91 110.79 3kjx h THR 39 Ca -0.00 -3.15 -0.03 0.00 -0.01 0.00 0.00 66.41 63.21 3kjx h THR 39 Cb 0.78 2.80 -0.02 0.00 -1.07 0.00 0.00 68.15 70.65 3kjx h THR 39 CO 0.04 0.87 0.06 0.03 -0.01 0.00 0.00 175.52 176.51 3kjx h ARG 40 N 0.03 0.48 0.05 0.00 3.08 -1.02 -0.23 114.38 116.76 3kjx h ARG 40 Ca -0.11 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 59.62 3kjx h ARG 40 Cb 1.89 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 3kjx h ARG 40 CO 0.15 0.46 -1.04 0.00 -1.07 0.00 0.00 179.97 178.46 3kjx h ALA 41 N 1.60 0.29 -0.54 0.04 0.00 -1.29 -2.47 119.26 116.90 3kjx h ALA 41 Ca 0.11 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 3kjx h ALA 41 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kjx h ALA 41 CO -0.00 0.90 -0.07 -0.09 0.00 0.00 0.00 179.25 179.99 3kjx h ARG 42 N 0.14 0.99 0.16 0.00 2.43 -0.71 0.25 114.38 117.64 3kjx h ARG 42 Ca -0.09 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3kjx h ARG 42 Cb 1.72 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 3kjx h ARG 42 CO 0.17 1.02 -0.08 0.28 -1.51 0.00 0.00 179.97 179.86 3kjx h VAL 43 N 0.89 0.98 -0.95 0.20 2.07 -1.10 -1.96 116.25 116.39 3kjx h VAL 43 Ca 0.15 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.91 3kjx h VAL 43 Cb 0.62 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3kjx h VAL 43 CO 0.04 0.18 0.62 -0.07 0.02 0.00 0.00 177.57 178.36 3kjx h LEU 44 N -0.60 1.04 -1.00 2.57 3.38 -1.41 -0.14 115.31 119.15 3kjx h LEU 44 Ca -0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3kjx h LEU 44 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kjx h LEU 44 CO 0.04 0.72 0.08 0.00 0.09 0.00 0.00 178.44 179.37 3kjx h ALA 45 N 1.44 1.18 -0.20 1.53 0.00 -0.92 -2.52 119.26 119.77 3kjx h ALA 45 Ca 0.37 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3kjx h ALA 45 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kjx h ALA 45 CO -0.11 0.55 -0.60 0.00 0.00 0.00 0.00 179.25 179.09 3kjx h ALA 46 N 1.32 0.57 -0.73 0.00 0.00 -0.45 -2.85 119.26 117.12 3kjx h ALA 46 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3kjx h ALA 46 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kjx h ALA 46 CO 0.01 0.70 0.38 0.00 0.00 0.00 0.00 179.25 180.34 3kjx h ALA 47 N 0.83 1.31 -0.09 0.00 0.00 -0.81 -2.19 119.26 118.31 3kjx h ALA 47 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3kjx h ALA 47 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kjx h ALA 47 CO 0.12 0.56 -0.54 -0.22 0.00 0.00 0.00 179.25 179.16 3kjx h LYS 48 N 1.02 0.26 -0.31 0.00 3.64 -1.37 0.29 116.57 120.10 3kjx h LYS 48 Ca 0.26 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 3kjx h LYS 48 Cb 0.05 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kjx h LYS 48 CO -0.04 0.74 -0.42 1.05 -2.27 0.00 0.00 179.45 178.51 3kjx h GLU 49 N 0.20 0.83 -0.22 1.90 4.11 -1.26 -3.24 114.58 116.89 3kjx h GLU 49 Ca 0.00 -0.48 -0.20 0.00 0.07 0.00 0.00 59.36 58.76 3kjx h GLU 49 Cb 1.02 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kjx h GLU 49 CO 0.09 1.11 -0.63 -0.07 0.07 0.00 0.00 179.01 179.58 3kjx h LEU 50 N 0.60 0.94 0.00 3.06 3.38 -1.29 -3.47 115.31 118.53 3kjx h LEU 50 Ca 0.04 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3kjx h LEU 50 Cb 1.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kjx h LEU 50 CO 0.10 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.59 3kjx n GLY 51 N 0.52 1.79 3.72 0.83 0.00 0.72 -5.07 105.19 107.69 3kjx n GLY 51 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3kjx n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kjx s TYR 52 N -2.00 3.62 -0.20 1.61 5.04 0.45 -5.02 117.35 120.84 3kjx s TYR 52 Ca 0.00 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 3kjx s TYR 52 Cb 0.00 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.44 3kjx s TYR 52 CO 0.00 0.08 -0.16 0.08 -1.34 0.00 0.00 175.55 174.21 3kjx s VAL 53 N 0.78 2.29 0.21 3.14 1.01 -1.26 -4.67 120.40 121.90 3kjx s VAL 53 Ca 0.42 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 3kjx s VAL 53 Cb -0.19 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 3kjx s VAL 53 CO 0.21 0.40 1.54 -2.16 0.00 0.00 0.00 175.10 175.09 3kjx s PRO 54 N 1.28 4.21 -0.22 2.72 0.04 -1.26 -4.94 135.00 136.83 3kjx s PRO 54 Ca 0.02 2.39 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 3kjx s PRO 54 Cb -0.15 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 3kjx s PRO 54 CO -0.10 -0.56 1.69 1.21 0.04 0.00 0.00 177.00 179.28 3kjx s ASN 55 N 0.79 6.27 -0.18 6.66 3.84 -1.26 -4.85 114.94 126.21 3kjx s ASN 55 Ca 0.66 1.64 0.16 0.00 0.21 0.00 0.00 52.86 55.52 3kjx s ASN 55 Cb -0.44 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 38.42 3kjx s ASN 55 CO 0.38 -1.35 1.60 0.29 -2.79 0.00 0.00 177.10 175.23 3kjx n LYS 56 N 7.82 3.96 -2.80 0.43 5.02 -1.26 -4.63 118.16 126.69 3kjx n LYS 56 Ca 0.20 -2.95 -0.32 0.00 -2.02 0.00 0.00 58.31 53.21 3kjx n LYS 56 Cb 0.45 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 3kjx n LYS 56 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kjx n ILE 57 N 0.37 4.21 -0.60 -0.18 -5.35 -1.26 -4.70 119.36 111.86 3kjx n ILE 57 Ca 0.25 -5.71 0.08 0.00 -0.27 0.00 0.00 62.75 57.10 3kjx n ILE 57 Cb 1.00 -1.45 0.26 0.00 -1.74 0.00 0.00 39.64 37.71 3kjx n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kjx n ALA 58 N -0.19 2.77 -2.93 -1.28 0.00 -1.26 -4.97 120.51 112.65 3kjx n ALA 58 Ca 0.37 -1.69 -0.34 0.00 0.00 0.00 0.00 53.44 51.78 3kjx n ALA 58 Cb 0.35 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 3kjx n ALA 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kjx s GLY 59 N -1.28 1.76 0.12 0.00 0.00 -1.26 -5.11 107.32 101.55 3kjx s GLY 59 Ca 0.39 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 44.23 3kjx s GLY 59 CO 0.16 -0.04 0.40 0.00 0.00 0.00 0.00 173.10 173.62 3kjx s ALA 60 N 0.36 3.74 0.00 3.20 0.00 -1.26 -4.72 121.76 123.09 3kjx s ALA 60 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3kjx s ALA 60 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.77 3kjx s ALA 60 CO 0.02 0.61 0.00 1.28 0.00 0.00 0.00 175.76 177.68 3kjx n LEU 61 N 0.40 0.00 -4.75 0.00 4.32 -1.26 -3.66 117.00 112.05 3kjx n LEU 61 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.53 3kjx n LEU 61 Cb 0.52 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3kjx n LEU 61 CO 0.46 0.00 1.06 0.00 -1.22 0.00 0.00 177.39 177.68 3kjx n ALA 62 N 1.07 2.01 0.00 -1.18 0.00 -1.26 -2.69 120.51 118.47 3kjx n ALA 62 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kjx n ALA 62 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 3kjx n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kjx n SER 63 N 0.53 0.00 -4.14 0.00 3.41 -1.26 -4.96 113.62 107.20 3kjx n SER 63 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 3kjx n SER 63 Cb 0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 3kjx n SER 63 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kjx s ASN 64 N 0.00 5.25 0.24 4.04 -0.87 -1.10 -5.07 114.94 117.44 3kjx s ASN 64 Ca 0.00 -1.87 0.11 0.00 -1.57 0.00 0.00 52.86 49.53 3kjx s ASN 64 Cb 0.00 -1.83 -0.05 0.00 -0.02 0.00 0.00 41.25 39.35 3kjx s ASN 64 CO 0.00 -0.50 -0.20 -0.13 -2.57 0.00 0.00 177.10 173.70 3kjx s ARG 65 N 1.19 1.55 0.49 -0.60 0.52 -1.26 -4.08 118.95 116.76 3kjx s ARG 65 Ca 0.06 -1.65 -0.09 0.00 -0.52 0.00 0.00 55.73 53.52 3kjx s ARG 65 Cb -0.22 -1.65 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 3kjx s ARG 65 CO -0.03 0.32 0.85 0.54 0.02 0.00 0.00 175.30 177.00 3kjx s VAL 66 N -2.35 4.79 0.00 3.52 0.11 -0.05 -4.93 120.40 121.50 3kjx s VAL 66 Ca 0.25 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 59.89 3kjx s VAL 66 Cb -0.05 -3.81 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 3kjx s VAL 66 CO 0.12 -0.79 2.12 -0.46 -3.33 0.00 0.00 175.10 172.76 3kjx n ASN 67 N -1.98 5.27 -4.79 3.54 6.94 -1.26 -2.71 115.26 120.27 3kjx n ASN 67 Ca 0.03 -2.40 -0.36 0.00 -0.02 0.00 0.00 54.58 51.83 3kjx n ASN 67 Cb 0.54 -1.14 -0.07 0.00 -2.36 0.00 0.00 39.78 36.75 3kjx n ASN 67 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3kjx s LEU 68 N 0.00 4.10 -0.29 -4.53 0.20 -1.26 -1.44 118.68 115.45 3kjx s LEU 68 Ca 0.06 0.32 -0.02 0.00 0.69 0.00 0.00 54.13 55.18 3kjx s LEU 68 Cb 0.03 -1.99 0.04 0.00 -0.43 0.00 0.00 46.19 43.84 3kjx s LEU 68 CO 0.00 0.36 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.73 3kjx s VAL 69 N -0.75 3.08 -0.17 1.68 1.01 -0.73 -0.56 120.40 123.96 3kjx s VAL 69 Ca 0.13 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 3kjx s VAL 69 Cb -0.12 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3kjx s VAL 69 CO 0.03 -0.04 1.19 0.00 0.00 0.00 0.00 175.10 176.28 3kjx s ALA 70 N 1.29 3.64 -0.37 5.51 0.00 -0.67 -0.75 121.76 130.42 3kjx s ALA 70 Ca -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 3kjx s ALA 70 Cb -0.19 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.43 3kjx s ALA 70 CO -0.01 -1.08 0.12 0.08 0.00 0.00 0.00 175.76 174.87 3kjx s VAL 71 N 3.24 3.12 -0.31 0.00 1.01 0.86 -0.06 120.40 128.25 3kjx s VAL 71 Ca 0.52 -1.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 3kjx s VAL 71 Cb -0.20 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3kjx s VAL 71 CO 0.13 -0.48 0.13 -0.63 0.00 0.00 0.00 175.10 174.25 3kjx s ILE 72 N 1.16 4.29 0.23 2.22 1.01 0.85 -0.61 121.20 130.35 3kjx s ILE 72 Ca 0.04 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3kjx s ILE 72 Cb -0.21 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3kjx s ILE 72 CO -0.03 0.02 -0.01 0.27 0.00 0.00 0.00 174.94 175.19 3kjx s ILE 73 N 1.55 1.06 0.09 2.92 -4.36 -0.70 -1.48 121.20 120.27 3kjx s ILE 73 Ca 0.03 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 3kjx s ILE 73 Cb -0.17 -2.33 -0.22 0.00 1.25 0.00 0.00 42.46 40.98 3kjx s ILE 73 CO 0.05 -0.34 1.16 1.55 0.24 0.00 0.00 174.94 177.60 3kjx h PRO 74 N 2.48 0.04 -3.05 0.37 0.13 -1.93 0.97 132.00 131.01 3kjx h PRO 74 Ca -0.38 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3kjx h PRO 74 Cb 1.22 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 3kjx h PRO 74 CO 0.65 0.95 0.04 0.45 -0.23 0.00 0.00 178.00 179.86 3kjx s SER 75 N -6.67 -0.40 0.00 1.44 0.15 -1.26 -0.67 113.70 106.28 3kjx s SER 75 Ca -0.01 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3kjx s SER 75 Cb 0.09 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3kjx s SER 75 CO 0.83 -0.83 0.54 0.18 1.20 0.00 0.00 173.24 175.16 3kjx n LEU 76 N -0.02 0.90 -0.39 3.45 4.77 -1.26 -4.57 117.00 119.88 3kjx n LEU 76 Ca -0.17 -0.90 0.11 0.00 -0.03 0.00 0.00 56.01 55.02 3kjx n LEU 76 Cb 0.63 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3kjx n LEU 76 CO 0.17 0.22 0.34 -1.20 -1.33 0.00 0.00 177.39 175.59 3kjx n SER 77 N -0.15 1.71 0.00 -1.43 7.64 -1.26 -4.83 113.62 115.31 3kjx n SER 77 Ca 0.00 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.56 3kjx n SER 77 Cb 0.22 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 3kjx n SER 77 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3kjx n ASN 78 N -0.31 0.00 0.00 6.43 0.23 -1.26 -4.93 115.26 115.41 3kjx n ASN 78 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 3kjx n ASN 78 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3kjx n ASN 78 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3kjx n VAL 80 N 0.00 0.00 0.23 3.53 0.31 -1.26 -5.09 118.33 116.06 3kjx n VAL 80 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3kjx n VAL 80 Cb 0.00 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.46 3kjx n VAL 80 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kjx h PHE 81 N 0.00 0.00 -0.11 3.52 0.04 -1.94 -3.06 116.94 115.39 3kjx h PHE 81 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3kjx h PHE 81 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kjx h PHE 81 CO 0.00 0.20 0.02 -1.35 -0.60 0.00 0.00 178.31 176.58 3kjx h PRO 82 N 0.00 0.15 -0.13 1.51 0.11 -1.88 -1.52 132.00 130.24 3kjx h PRO 82 Ca -0.00 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.88 3kjx h PRO 82 Cb 0.65 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.73 3kjx h PRO 82 CO 0.03 0.15 -0.76 1.49 -0.21 0.00 0.00 178.00 178.69 3kjx h GLU 83 N 0.15 0.67 -0.32 1.05 4.57 -1.92 -2.38 114.58 116.40 3kjx h GLU 83 Ca 0.04 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3kjx h GLU 83 Cb 0.07 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3kjx h GLU 83 CO -0.00 1.17 0.20 0.28 -1.18 0.00 0.00 179.01 179.48 3kjx h VAL 84 N 0.46 1.10 -0.90 0.32 2.07 -1.42 -2.56 116.25 115.32 3kjx h VAL 84 Ca -0.05 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3kjx h VAL 84 Cb 1.37 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 3kjx h VAL 84 CO 0.15 0.09 0.59 0.25 0.02 0.00 0.00 177.57 178.67 3kjx h LEU 85 N 0.42 0.89 -0.28 2.57 5.85 -1.22 -0.83 115.31 122.72 3kjx h LEU 85 Ca 0.12 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3kjx h LEU 85 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3kjx h LEU 85 CO -0.02 0.57 0.17 0.74 -0.34 0.00 0.00 178.44 179.56 3kjx h THR 86 N 1.01 1.04 -0.89 1.05 2.02 -1.07 0.68 112.91 116.76 3kjx h THR 86 Ca 0.39 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3kjx h THR 86 Cb 0.21 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3kjx h THR 86 CO -0.15 0.06 0.48 1.23 0.37 0.00 0.00 175.52 177.51 3kjx h GLY 87 N 0.35 1.33 0.90 2.16 0.00 -0.88 -0.28 103.07 106.66 3kjx h GLY 87 Ca 0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3kjx h GLY 87 CO -0.04 0.58 0.08 -2.22 0.00 0.00 0.00 176.54 174.95 3kjx h ILE 88 N 1.24 1.14 -0.59 2.60 2.04 -0.77 -2.96 117.51 120.22 3kjx h ILE 88 Ca 0.31 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3kjx h ILE 88 Cb 0.04 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3kjx h ILE 88 CO -0.05 0.14 0.39 0.78 0.00 0.00 0.00 178.15 179.41 3kjx h ASN 89 N 0.17 0.67 -0.83 1.72 -0.26 -0.39 -1.95 115.58 114.71 3kjx h ASN 89 Ca 0.06 -0.02 0.08 0.00 -0.56 0.00 0.00 56.30 55.87 3kjx h ASN 89 Cb 0.14 -0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 37.17 3kjx h ASN 89 CO -0.01 0.48 0.49 1.56 -1.06 0.00 0.00 177.43 178.90 3kjx h GLN 90 N 0.79 0.84 -0.07 0.81 4.20 -0.97 0.97 115.11 121.67 3kjx h GLN 90 Ca 0.22 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 3kjx h GLN 90 Cb -0.09 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.52 3kjx h GLN 90 CO -0.05 0.55 -0.88 0.28 -0.67 0.00 0.00 178.83 178.06 3kjx h VAL 91 N 0.86 1.31 -0.00 -0.54 2.07 -1.34 -3.21 116.25 115.39 3kjx h VAL 91 Ca 0.38 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3kjx h VAL 91 Cb 0.27 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3kjx h VAL 91 CO -0.21 0.67 -0.02 0.18 0.02 0.00 0.00 177.57 178.21 3kjx n LEU 92 N -3.87 0.04 -0.29 2.57 4.77 -0.75 -3.69 117.00 115.77 3kjx n LEU 92 Ca -0.08 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.32 3kjx n LEU 92 Cb 0.80 -0.38 0.21 0.00 -2.33 0.00 0.00 43.42 41.71 3kjx n LEU 92 CO 0.53 0.01 1.09 -0.33 -1.33 0.00 0.00 177.39 177.36 3kjx h GLU 93 N 0.03 0.60 0.29 3.23 4.39 -0.82 -2.80 114.58 119.51 3kjx h GLU 93 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3kjx h GLU 93 Cb 0.40 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kjx h GLU 93 CO 0.00 0.40 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.67 3kjx h ASP 94 N 0.62 -0.33 -2.48 1.42 5.19 -1.78 -3.46 116.42 115.60 3kjx h ASP 94 Ca 0.44 -0.20 -0.35 0.00 -0.62 0.00 0.00 57.03 56.30 3kjx h ASP 94 Cb 0.59 0.09 0.19 0.00 0.18 0.00 0.00 39.33 40.38 3kjx h ASP 94 CO -0.34 0.10 -0.40 0.35 -3.12 0.00 0.00 179.24 175.82 3kjx n THR 95 N -5.08 0.00 0.20 0.35 -2.24 -1.06 -4.90 114.28 101.55 3kjx n THR 95 Ca -0.09 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3kjx n THR 95 Cb 0.27 -0.73 0.27 0.00 -2.10 0.00 0.00 70.33 68.03 3kjx n THR 95 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kjx n GLU 96 N -3.48 2.38 -3.07 -0.78 2.13 -1.26 -4.92 120.64 111.63 3kjx n GLU 96 Ca 0.06 -2.13 -0.34 0.00 0.66 0.00 0.00 57.16 55.42 3kjx n GLU 96 Cb 0.51 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 30.69 3kjx n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kjx s LEU 97 N -1.15 4.13 -0.25 4.31 1.43 -1.26 -4.89 118.68 121.00 3kjx s LEU 97 Ca 0.40 1.39 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3kjx s LEU 97 Cb 0.21 -4.01 0.07 0.00 0.03 0.00 0.00 46.19 42.50 3kjx s LEU 97 CO 0.28 -0.16 0.01 -1.58 0.23 0.00 0.00 176.35 175.14 3kjx s GLN 98 N -2.71 1.14 0.40 1.70 2.00 -0.52 -4.83 119.66 116.84 3kjx s GLN 98 Ca 0.52 -0.92 -0.25 0.00 -2.00 0.00 0.00 55.36 52.71 3kjx s GLN 98 Cb -0.12 -2.37 -0.09 0.00 0.80 0.00 0.00 33.01 31.24 3kjx s GLN 98 CO 0.18 -0.73 1.11 -1.25 -0.50 0.00 0.00 175.29 174.10 3kjx s PRO 99 N 1.54 4.11 -0.00 1.67 0.04 -1.26 -1.77 135.00 139.31 3kjx s PRO 99 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 3kjx s PRO 99 Cb -0.18 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.74 3kjx s PRO 99 CO -0.11 -0.23 -0.02 0.08 0.04 0.00 0.00 177.00 176.76 3kjx s VAL 100 N -1.51 0.18 -0.07 -0.36 1.01 0.08 -4.87 120.40 114.85 3kjx s VAL 100 Ca 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3kjx s VAL 100 Cb -0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3kjx s VAL 100 CO 0.34 0.06 0.02 -0.69 0.00 0.00 0.00 175.10 174.82 3kjx s VAL 101 N 0.06 4.40 -0.07 2.92 1.01 -1.26 -0.10 120.40 127.36 3kjx s VAL 101 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3kjx s VAL 101 Cb -0.02 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3kjx s VAL 101 CO -0.00 0.54 -0.11 -0.83 0.00 0.00 0.00 175.10 174.70 3kjx s GLY 102 N -1.09 0.80 0.00 4.51 0.00 0.22 -4.95 107.32 106.81 3kjx s GLY 102 Ca 0.15 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 3kjx s GLY 102 CO 0.05 0.26 0.47 0.14 0.00 0.00 0.00 173.10 174.02 3kjx s VAL 103 N 0.87 4.97 -0.56 1.40 1.01 -1.26 -1.71 120.40 125.12 3kjx s VAL 103 Ca -0.11 0.98 0.06 0.00 0.00 0.00 0.00 61.98 62.92 3kjx s VAL 103 Cb -0.15 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kjx s VAL 103 CO 0.01 0.52 0.48 0.35 0.00 0.00 0.00 175.10 176.46 3kjx n THR 104 N 2.15 0.00 -1.52 3.92 -2.24 0.33 -4.96 114.28 111.97 3kjx n THR 104 Ca -0.11 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 3kjx n THR 104 Cb 0.52 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 3kjx n THR 104 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kjx n ASP 105 N -0.42 -4.77 0.00 3.42 8.00 0.15 -1.83 116.55 121.11 3kjx n ASP 105 Ca 0.03 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3kjx n ASP 105 Cb 0.13 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 3kjx n ASP 105 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kjx n TYR 106 N -2.19 0.00 -3.06 1.24 4.01 -1.23 -5.00 117.16 110.92 3kjx n TYR 106 Ca -0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 3kjx n TYR 106 Cb 0.59 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 3kjx n TYR 106 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kjx s LEU 107 N 0.00 4.10 0.14 7.72 1.43 -0.76 -4.89 118.68 126.42 3kjx s LEU 107 Ca 0.00 0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 53.74 3kjx s LEU 107 Cb 0.00 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3kjx s LEU 107 CO 0.00 -0.36 1.68 -0.65 0.23 0.00 0.00 176.35 177.26 3kjx h PRO 108 N 7.66 -0.05 -0.91 1.29 0.11 -1.94 0.67 132.00 138.83 3kjx h PRO 108 Ca -0.28 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.96 3kjx h PRO 108 Cb 1.13 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 3kjx h PRO 108 CO 0.79 -0.04 0.53 1.05 -0.21 0.00 0.00 178.00 180.13 3kjx h GLU 109 N -0.05 0.79 -0.02 1.05 4.11 -1.96 -1.45 114.58 117.05 3kjx h GLU 109 Ca 0.12 -0.05 -0.21 0.00 0.07 0.00 0.00 59.36 59.30 3kjx h GLU 109 Cb 0.24 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kjx h GLU 109 CO -0.28 0.52 -0.88 -0.22 0.07 0.00 0.00 179.01 178.22 3kjx h LYS 110 N 0.82 0.37 -0.90 1.06 3.64 -1.63 -2.78 116.57 117.14 3kjx h LYS 110 Ca 0.46 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3kjx h LYS 110 Cb 0.52 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3kjx h LYS 110 CO -0.29 1.05 0.60 1.49 -2.27 0.00 0.00 179.45 180.02 3kjx h GLU 111 N 0.22 1.18 -0.57 1.90 4.81 -0.12 -1.08 114.58 120.92 3kjx h GLU 111 Ca -0.06 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3kjx h GLU 111 Cb 1.50 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3kjx h GLU 111 CO 0.15 0.78 0.06 1.49 -0.73 0.00 0.00 179.01 180.76 3kjx h GLU 112 N 1.22 0.97 -0.25 1.92 4.81 -1.22 0.20 114.58 122.23 3kjx h GLU 112 Ca 0.33 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3kjx h GLU 112 Cb -0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3kjx h GLU 112 CO -0.07 0.94 0.01 -0.22 -0.73 0.00 0.00 179.01 178.94 3kjx h LYS 113 N 0.86 0.43 -0.34 1.92 3.11 -1.10 -0.73 116.57 120.71 3kjx h LYS 113 Ca 0.17 -0.13 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 3kjx h LYS 113 Cb 0.46 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 3kjx h LYS 113 CO 0.02 0.59 0.07 0.28 -2.81 0.00 0.00 179.45 177.59 3kjx h VAL 114 N 0.21 1.23 -0.83 2.00 2.07 -1.18 -1.97 116.25 117.79 3kjx h VAL 114 Ca 0.07 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3kjx h VAL 114 Cb 0.38 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3kjx h VAL 114 CO 0.01 0.26 0.40 0.25 0.02 0.00 0.00 177.57 178.51 3kjx h LEU 115 N 0.40 1.08 0.29 2.57 5.85 -0.91 -3.02 115.31 121.57 3kjx h LEU 115 Ca 0.11 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kjx h LEU 115 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3kjx h LEU 115 CO 0.00 0.91 -0.14 0.22 -0.34 0.00 0.00 178.44 179.09 3kjx h TYR 116 N 1.18 -0.36 0.00 1.25 3.20 -0.95 -0.03 116.97 121.26 3kjx h TYR 116 Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3kjx h TYR 116 Cb 0.12 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3kjx h TYR 116 CO 0.01 -0.14 0.00 0.39 -1.64 0.00 0.00 178.16 176.79 3kjx n GLU 117 N -5.20 0.00 0.00 1.82 -0.58 -0.75 -1.38 120.64 114.54 3kjx n GLU 117 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3kjx n GLU 117 Cb 0.21 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 3kjx n GLU 117 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kjx n LEU 119 N 0.09 0.00 0.03 -4.62 4.77 -0.02 -3.19 117.00 114.05 3kjx n LEU 119 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3kjx n LEU 119 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 3kjx n LEU 119 CO 0.00 0.00 0.88 -1.54 -1.33 0.00 0.00 177.39 175.40 3kjx n SER 120 N 0.00 0.27 -0.65 -1.43 3.41 -0.48 -2.48 113.62 112.27 3kjx n SER 120 Ca 0.00 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 3kjx n SER 120 Cb 0.00 -0.50 0.37 0.00 -0.26 0.00 0.00 64.21 63.82 3kjx n SER 120 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kjx n TRP 121 N -1.72 0.17 -3.45 7.33 8.01 -1.19 -4.97 117.44 121.63 3kjx n TRP 121 Ca 0.06 -0.09 -0.18 0.00 -1.31 0.00 0.00 57.50 55.99 3kjx n TRP 121 Cb 0.37 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.69 3kjx n TRP 121 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3kjx n ARG 122 N 0.53 -1.44 -1.14 -0.99 5.12 -1.03 -4.38 116.66 113.32 3kjx n ARG 122 Ca 0.17 0.91 -0.29 0.00 -1.93 0.00 0.00 57.85 56.72 3kjx n ARG 122 Cb 0.40 -4.50 0.19 0.00 -1.16 0.00 0.00 32.46 27.39 3kjx n ARG 122 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3kjx s PRO 123 N -4.59 0.16 0.01 5.56 0.04 -1.26 -0.87 135.00 134.05 3kjx s PRO 123 Ca 0.22 0.45 0.23 0.00 0.04 0.00 0.00 61.00 61.94 3kjx s PRO 123 Cb -0.07 -1.71 0.17 0.00 0.04 0.00 0.00 34.50 32.93 3kjx s PRO 123 CO 0.82 -2.90 1.16 0.43 0.04 0.00 0.00 177.00 176.55 3kjx n SER 124 N -4.28 0.68 -3.60 6.66 7.64 0.28 -4.64 113.62 116.36 3kjx n SER 124 Ca 0.05 -0.48 -0.04 0.00 1.01 0.00 0.00 58.87 59.41 3kjx n SER 124 Cb 0.57 0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 64.37 3kjx n SER 124 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kjx s GLY 125 N -3.15 -0.35 -0.02 0.23 0.00 -1.22 -4.23 107.32 98.58 3kjx s GLY 125 Ca 0.08 1.08 0.01 0.00 0.00 0.00 0.00 44.72 45.90 3kjx s GLY 125 CO 0.78 0.33 -0.03 0.14 0.00 0.00 0.00 173.10 174.32 3kjx s VAL 126 N -2.71 0.29 -0.19 1.40 1.01 -0.57 -1.68 120.40 117.95 3kjx s VAL 126 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3kjx s VAL 126 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.13 3kjx s VAL 126 CO -0.05 0.12 -0.09 -0.63 0.00 0.00 0.00 175.10 174.45 3kjx s ILE 127 N 0.34 1.53 -0.04 2.22 1.01 0.91 -0.59 121.20 126.58 3kjx s ILE 127 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3kjx s ILE 127 Cb -0.07 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3kjx s ILE 127 CO -0.01 0.17 -0.10 -0.51 0.00 0.00 0.00 174.94 174.50 3kjx s ILE 128 N 1.45 0.90 0.03 2.92 2.07 -0.06 -0.11 121.20 128.40 3kjx s ILE 128 Ca -0.01 -0.39 -0.30 0.00 -1.41 0.00 0.00 60.65 58.54 3kjx s ILE 128 Cb -0.16 -0.82 -0.06 0.00 0.13 0.00 0.00 42.46 41.55 3kjx s ILE 128 CO -0.08 0.29 1.35 0.00 -1.91 0.00 0.00 174.94 174.59 3kjx s ALA 129 N 0.42 3.55 0.00 1.50 0.00 -0.55 -1.32 121.76 125.36 3kjx s ALA 129 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3kjx s ALA 129 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3kjx s ALA 129 CO 0.02 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3kjx n GLY 130 N 3.53 -0.05 0.03 0.00 0.00 0.15 -4.84 105.19 104.01 3kjx n GLY 130 Ca 0.12 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.27 3kjx n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjx n LEU 131 N -0.56 0.78 -4.48 0.99 4.77 -1.26 -4.53 117.00 112.71 3kjx n LEU 131 Ca 0.00 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.74 3kjx n LEU 131 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3kjx n LEU 131 CO 0.00 0.19 -0.19 -1.61 -1.33 0.00 0.00 177.39 174.45 3kjx s GLU 132 N -0.39 3.46 0.06 3.23 8.01 -1.26 -4.92 118.70 126.90 3kjx s GLU 132 Ca 0.01 -0.64 0.02 0.00 0.01 0.00 0.00 54.97 54.37 3kjx s GLU 132 Cb 0.01 -3.61 -0.03 0.00 -4.31 0.00 0.00 34.13 26.19 3kjx s GLU 132 CO 0.02 -0.38 -0.07 -1.01 0.01 0.00 0.00 175.26 173.84 3kjx s HIS 133 N 1.65 0.71 1.25 1.61 3.76 -1.26 -5.03 115.29 117.99 3kjx s HIS 133 Ca 0.05 -0.71 -0.15 0.00 -0.15 0.00 0.00 55.06 54.10 3kjx s HIS 133 Cb -0.17 -0.43 0.32 0.00 1.11 0.00 0.00 32.58 33.41 3kjx s HIS 133 CO 0.07 -0.14 0.99 -1.54 -0.85 0.00 0.00 174.74 173.28 3kjx s SER 134 N -2.26 0.30 0.09 1.40 1.04 -1.26 -4.68 113.70 108.32 3kjx s SER 134 Ca -0.00 1.35 -0.31 0.00 0.48 0.00 0.00 55.95 57.47 3kjx s SER 134 Cb -0.02 -2.07 -0.15 0.00 0.10 0.00 0.00 66.02 63.87 3kjx s SER 134 CO -0.03 -4.60 1.62 -0.33 0.98 0.00 0.00 173.24 170.88 3kjx h GLU 135 N -2.90 -0.74 -0.44 4.02 4.39 -1.99 -1.93 114.58 114.99 3kjx h GLU 135 Ca -0.59 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.11 3kjx h GLU 135 Cb 1.34 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 3kjx h GLU 135 CO 0.46 -0.49 0.09 0.00 -1.16 0.00 0.00 179.01 177.90 3kjx h ALA 136 N -0.32 0.59 -0.74 3.43 0.00 -1.99 -2.08 119.26 118.15 3kjx h ALA 136 Ca -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kjx h ALA 136 Cb 0.66 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3kjx h ALA 136 CO -0.00 0.29 0.39 0.00 0.00 0.00 0.00 179.25 179.93 3kjx h ALA 137 N 0.95 1.02 -0.49 0.00 0.00 -1.90 -0.15 119.26 118.70 3kjx h ALA 137 Ca 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kjx h ALA 137 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kjx h ALA 137 CO 0.01 0.02 -0.02 -0.09 0.00 0.00 0.00 179.25 179.17 3kjx h ARG 138 N 0.68 0.83 -1.21 0.00 2.43 -1.16 -2.27 114.38 113.67 3kjx h ARG 138 Ca 0.35 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3kjx h ARG 138 Cb 0.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3kjx h ARG 138 CO -0.25 0.84 0.00 0.00 -1.51 0.00 0.00 179.97 179.06 3kjx n ALA 139 N -2.48 1.75 0.00 2.80 0.00 -0.07 -2.32 120.51 120.20 3kjx n ALA 139 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kjx n ALA 139 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3kjx n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kjx n LEU 141 N 0.65 0.00 0.08 0.00 4.77 -0.85 -0.71 117.00 120.94 3kjx n LEU 141 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3kjx n LEU 141 Cb 0.15 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3kjx n LEU 141 CO 0.00 0.00 0.08 -0.67 -1.33 0.00 0.00 177.39 175.47 3kjx n ASP 142 N 0.00 0.75 0.12 -1.43 2.03 -0.98 -3.82 116.55 113.21 3kjx n ASP 142 Ca 0.00 0.18 0.07 0.00 0.52 0.00 0.00 54.79 55.56 3kjx n ASP 142 Cb 0.00 0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 3kjx n ASP 142 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kjx h ALA 143 N 2.22 0.67 -2.94 -1.67 0.00 -1.21 -3.46 119.26 112.88 3kjx h ALA 143 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 3kjx h ALA 143 Cb 0.89 0.06 0.11 0.00 0.00 0.00 0.00 17.79 18.84 3kjx h ALA 143 CO 0.00 0.34 0.80 0.00 0.00 0.00 0.00 179.25 180.38 3kjx s ALA 144 N -3.15 3.59 -0.37 0.00 0.00 -1.25 -4.88 121.76 115.69 3kjx s ALA 144 Ca 0.01 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.63 3kjx s ALA 144 Cb 0.08 -3.62 0.60 0.00 0.00 0.00 0.00 23.12 20.18 3kjx s ALA 144 CO 0.76 -1.07 1.66 0.41 0.00 0.00 0.00 175.76 177.53 3kjx n GLY 145 N 0.58 3.52 3.50 0.00 0.00 -1.26 -4.94 105.19 106.59 3kjx n GLY 145 Ca 0.02 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3kjx n GLY 145 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjx s ILE 146 N -2.60 2.18 0.08 -0.61 -4.36 -1.26 -5.04 121.20 109.58 3kjx s ILE 146 Ca 0.46 -2.24 -0.31 0.00 -0.26 0.00 0.00 60.65 58.31 3kjx s ILE 146 Cb 0.37 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 41.48 3kjx s ILE 146 CO 0.11 -0.28 1.64 -2.84 0.24 0.00 0.00 174.94 173.81 3kjx s PRO 147 N -3.61 4.20 -0.14 0.37 0.02 -1.26 -4.89 135.00 129.69 3kjx s PRO 147 Ca 0.31 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.67 3kjx s PRO 147 Cb 0.01 -3.55 0.01 0.00 0.02 0.00 0.00 34.50 30.99 3kjx s PRO 147 CO 0.15 -0.72 -0.21 0.08 -0.33 0.00 0.00 177.00 175.98 3kjx s VAL 148 N 2.49 1.98 -0.14 3.83 1.01 -1.26 -1.52 120.40 126.78 3kjx s VAL 148 Ca 0.73 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3kjx s VAL 148 Cb -0.40 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3kjx s VAL 148 CO 0.32 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 175.06 3kjx s VAL 149 N 0.96 2.23 -0.22 2.92 1.01 0.24 -0.12 120.40 127.42 3kjx s VAL 149 Ca -0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3kjx s VAL 149 Cb -0.15 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3kjx s VAL 149 CO -0.04 0.54 0.21 -1.61 0.00 0.00 0.00 175.10 174.20 3kjx s GLU 150 N 0.76 4.11 -0.78 2.72 2.02 -0.76 -0.88 118.70 125.90 3kjx s GLU 150 Ca -0.08 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 3kjx s GLU 150 Cb -0.16 -3.52 0.19 0.00 0.10 0.00 0.00 34.13 30.74 3kjx s GLU 150 CO -0.00 0.07 0.63 0.96 0.02 0.00 0.00 175.26 176.93 3kjx s ILE 151 N 1.02 4.01 0.05 -1.63 -4.36 -0.43 -1.61 121.20 118.25 3kjx s ILE 151 Ca 0.10 -3.56 0.00 0.00 -0.26 0.00 0.00 60.65 56.94 3kjx s ILE 151 Cb -0.13 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 40.04 3kjx s ILE 151 CO 0.05 -1.00 0.00 -0.67 0.24 0.00 0.00 174.94 173.55 3kjx n ASP 153 N 2.74 -1.41 -0.50 4.36 2.03 -1.26 -0.67 116.55 121.83 3kjx n ASP 153 Ca 0.16 1.06 0.06 0.00 0.52 0.00 0.00 54.79 56.59 3kjx n ASP 153 Cb 0.37 -2.05 0.08 0.00 -0.72 0.00 0.00 41.12 38.79 3kjx n ASP 153 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3kjx n SER 154 N 0.71 2.20 0.00 1.67 3.41 -0.17 -4.63 113.62 116.81 3kjx n SER 154 Ca 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3kjx n SER 154 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3kjx n SER 154 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kjx n ASP 155 N 0.60 0.00 -0.67 4.04 10.43 -1.26 -4.86 116.55 124.84 3kjx n ASP 155 Ca 0.08 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.49 3kjx n ASP 155 Cb 0.32 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.28 3kjx n ASP 155 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kjx n GLY 156 N -0.05 -0.81 3.44 0.44 0.00 -1.26 -4.97 105.19 101.98 3kjx n GLY 156 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3kjx n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjx s LYS 157 N 0.00 3.44 0.56 1.61 1.02 -1.26 -5.12 119.74 119.98 3kjx s LYS 157 Ca 0.00 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.31 3kjx s LYS 157 Cb 0.00 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3kjx s LYS 157 CO 0.00 0.27 0.91 -1.25 -0.92 0.00 0.00 175.35 174.36 3kjx s PRO 158 N 0.24 3.38 -0.08 -1.68 0.04 -1.26 -5.01 135.00 130.62 3kjx s PRO 158 Ca -0.06 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.09 3kjx s PRO 158 Cb -0.15 -2.24 -0.29 0.00 0.04 0.00 0.00 34.50 31.86 3kjx s PRO 158 CO 0.04 -0.48 0.83 0.28 0.04 0.00 0.00 177.00 177.70 3kjx h VAL 159 N -0.09 1.57 0.00 -0.36 2.07 -1.97 -3.48 116.25 113.98 3kjx h VAL 159 Ca -0.46 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.60 3kjx h VAL 159 Cb 1.21 3.22 0.00 0.00 -1.52 0.00 0.00 31.29 34.21 3kjx h VAL 159 CO 0.62 0.68 0.00 -0.67 0.02 0.00 0.00 177.57 178.21 3kjx n ASP 160 N -4.27 0.00 -1.99 0.57 -0.08 -1.26 -5.00 116.55 104.52 3kjx n ASP 160 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 3kjx n ASP 160 Cb 0.72 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.18 3kjx n ASP 160 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kjx n ALA 161 N -3.00 0.00 0.00 -1.67 0.00 0.83 -4.82 120.51 111.86 3kjx n ALA 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kjx n ALA 161 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kjx n ALA 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kjx n VAL 163 N -1.54 0.00 -3.11 0.00 0.31 -0.63 -1.83 118.33 111.53 3kjx n VAL 163 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kjx n VAL 163 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kjx n VAL 163 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kjx n GLY 164 N 0.00 -1.23 3.41 2.92 0.00 -0.96 -4.10 105.19 105.22 3kjx n GLY 164 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3kjx n GLY 164 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjx s ILE 165 N -3.00 1.83 -0.36 -0.61 -4.36 -1.26 -0.10 121.20 113.34 3kjx s ILE 165 Ca 0.00 -2.20 -0.24 0.00 -0.26 0.00 0.00 60.65 57.94 3kjx s ILE 165 Cb 0.00 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.44 3kjx s ILE 165 CO 0.00 -0.42 0.85 -0.55 0.24 0.00 0.00 174.94 175.06 3kjx s SER 166 N -3.41 6.62 0.44 4.36 0.15 -1.26 -1.00 113.70 119.59 3kjx s SER 166 Ca 0.27 0.47 0.24 0.00 0.70 0.00 0.00 55.95 57.63 3kjx s SER 166 Cb 0.01 -2.43 0.82 0.00 -1.71 0.00 0.00 66.02 62.70 3kjx s SER 166 CO 0.11 -0.79 1.78 0.45 1.20 0.00 0.00 173.24 175.99 3kjx h HIS 167 N 8.47 0.00 -0.28 3.44 -0.00 -1.91 -2.49 115.15 122.38 3kjx h HIS 167 Ca -0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.07 3kjx h HIS 167 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 3kjx h HIS 167 CO 0.81 0.21 -0.06 0.00 -0.00 0.00 0.00 177.93 178.89 3kjx h ARG 168 N 0.00 0.53 -0.41 2.45 3.08 -1.90 -2.59 114.38 115.53 3kjx h ARG 168 Ca -0.00 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3kjx h ARG 168 Cb 0.82 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 3kjx h ARG 168 CO 0.03 0.73 0.23 -0.09 -1.07 0.00 0.00 179.97 179.79 3kjx h ARG 169 N 0.29 0.44 -0.41 0.04 2.43 -1.83 -1.76 114.38 113.57 3kjx h ARG 169 Ca 0.07 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 3kjx h ARG 169 Cb 0.52 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 3kjx h ARG 169 CO 0.03 0.29 -0.31 0.00 -1.51 0.00 0.00 179.97 178.47 3kjx h ALA 170 N 1.20 -0.14 -0.68 2.80 0.00 -1.26 0.37 119.26 121.56 3kjx h ALA 170 Ca 0.17 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3kjx h ALA 170 Cb 0.04 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3kjx h ALA 170 CO -0.10 -0.70 0.26 0.78 0.00 0.00 0.00 179.25 179.49 3kjx h GLY 171 N -0.23 1.10 1.02 0.00 0.00 -1.27 -2.87 103.07 100.82 3kjx h GLY 171 Ca 0.18 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3kjx h GLY 171 CO -0.54 0.58 0.39 3.21 0.00 0.00 0.00 176.54 180.17 3kjx h ARG 172 N 0.98 1.12 -1.48 4.80 3.08 -0.29 -1.58 114.38 121.00 3kjx h ARG 172 Ca 0.23 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kjx h ARG 172 Cb 0.23 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kjx h ARG 172 CO -0.02 0.86 0.00 0.39 -1.07 0.00 0.00 179.97 180.14 3kjx n GLU 173 N -4.38 0.45 0.00 0.04 -0.58 0.12 -1.82 120.64 114.47 3kjx n GLU 173 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3kjx n GLU 173 Cb 0.13 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3kjx n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kjx n ALA 175 N 0.74 0.00 -0.08 0.62 0.00 -0.60 -1.79 120.51 119.40 3kjx n ALA 175 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kjx n ALA 175 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 3kjx n ALA 175 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kjx h GLN 176 N 0.00 0.28 -0.32 0.00 1.08 -1.63 -0.57 115.11 113.95 3kjx h GLN 176 Ca 0.00 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 3kjx h GLN 176 Cb 0.00 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3kjx h GLN 176 CO 0.00 0.18 -0.20 0.00 -0.95 0.00 0.00 178.83 177.87 3kjx h ALA 177 N 1.17 1.07 0.36 3.87 0.00 -1.64 -2.31 119.26 121.78 3kjx h ALA 177 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kjx h ALA 177 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kjx h ALA 177 CO -0.11 0.57 -0.17 0.82 0.00 0.00 0.00 179.25 180.36 3kjx h ILE 178 N 0.52 0.57 -0.50 0.00 2.04 -1.70 -2.64 117.51 115.80 3kjx h ILE 178 Ca 0.08 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3kjx h ILE 178 Cb 0.63 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3kjx h ILE 178 CO 0.04 0.10 0.19 -0.07 0.00 0.00 0.00 178.15 178.42 3kjx h LEU 179 N -0.86 0.21 -0.83 1.44 3.38 -1.17 -2.23 115.31 115.26 3kjx h LEU 179 Ca -0.05 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3kjx h LEU 179 Cb 0.53 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3kjx h LEU 179 CO 0.08 0.15 0.44 0.50 0.09 0.00 0.00 178.44 179.71 3kjx h LYS 180 N 0.38 0.68 0.00 1.13 3.64 -1.43 -0.92 116.57 120.05 3kjx h LYS 180 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kjx h LYS 180 Cb 0.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3kjx h LYS 180 CO -0.23 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.40 3kjx n ALA 181 N -2.40 2.19 0.00 5.00 0.00 -0.84 -4.86 120.51 119.59 3kjx n ALA 181 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kjx n ALA 181 Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3kjx n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjx n GLY 182 N 0.17 3.20 3.64 0.00 0.00 -0.35 -5.01 105.19 106.85 3kjx n GLY 182 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kjx n GLY 182 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kjx n TYR 183 N -1.40 1.58 -3.82 1.61 4.02 -1.21 -5.01 117.16 112.93 3kjx n TYR 183 Ca 0.00 0.57 -0.11 0.00 -0.01 0.00 0.00 57.90 58.34 3kjx n TYR 183 Cb 0.00 -2.29 -0.09 0.00 -0.02 0.00 0.00 39.34 36.94 3kjx n TYR 183 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3kjx s ARG 184 N -1.97 0.65 -0.35 -0.72 0.52 -1.26 -4.56 118.95 111.26 3kjx s ARG 184 Ca 0.61 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 3kjx s ARG 184 Cb -0.57 0.27 -0.01 0.00 0.52 0.00 0.00 34.95 35.17 3kjx s ARG 184 CO 0.58 -0.18 0.32 0.54 0.02 0.00 0.00 175.30 176.58 3kjx n ARG 185 N 1.02 -0.67 -3.28 3.54 1.74 -1.26 -4.29 116.66 113.46 3kjx n ARG 185 Ca -0.21 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.29 3kjx n ARG 185 Cb 0.57 -3.27 -0.05 0.00 -1.02 0.00 0.00 32.46 28.69 3kjx n ARG 185 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kjx s ILE 186 N -3.05 4.83 -0.03 0.55 -1.09 -1.26 -3.25 121.20 117.91 3kjx s ILE 186 Ca 0.06 0.64 0.06 0.00 -2.23 0.00 0.00 60.65 59.18 3kjx s ILE 186 Cb -0.01 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 3kjx s ILE 186 CO 0.31 -0.14 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.84 3kjx s GLY 187 N -2.39 1.40 0.45 6.18 0.00 -0.05 -0.82 107.32 112.08 3kjx s GLY 187 Ca 0.50 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 44.18 3kjx s GLY 187 CO 0.20 -0.88 0.09 -0.12 0.00 0.00 0.00 173.10 172.40 3kjx s PHE 188 N -0.68 1.81 0.00 1.90 5.36 -0.52 -0.61 117.98 125.24 3kjx s PHE 188 Ca 0.11 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.89 3kjx s PHE 188 Cb -0.10 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3kjx s PHE 188 CO 0.00 -0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.03 3kjx n GLY 190 N -1.04 1.92 3.11 13.12 0.00 -0.94 -1.38 105.19 119.98 3kjx n GLY 190 Ca -0.10 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 3kjx n GLY 190 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kjx s THR 191 N -2.00 0.80 -0.31 2.61 -1.32 -1.26 -1.22 115.64 112.94 3kjx s THR 191 Ca 0.00 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.21 3kjx s THR 191 Cb 0.00 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3kjx s THR 191 CO 0.00 -0.34 0.19 1.17 -2.21 0.00 0.00 174.62 173.43 3kjx n LYS 192 N 1.30 -2.77 0.00 7.08 3.00 0.16 -4.89 118.16 122.05 3kjx n LYS 192 Ca -0.22 2.33 0.00 0.00 -0.00 0.00 0.00 58.31 60.43 3kjx n LYS 192 Cb 0.55 -5.02 0.00 0.00 0.00 0.00 0.00 35.03 30.56 3kjx n LYS 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kjx n PRO 194 N 0.29 0.00 0.04 1.64 -0.04 -1.26 -0.81 135.00 134.86 3kjx n PRO 194 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 3kjx n PRO 194 Cb 0.15 -0.92 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 3kjx n PRO 194 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kjx h LEU 195 N 0.84 0.67 -8.23 1.53 3.38 -1.92 -3.40 115.31 108.17 3kjx h LEU 195 Ca 0.00 -0.49 -0.63 0.00 0.09 0.00 0.00 57.88 56.86 3kjx h LEU 195 Cb 0.00 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.41 3kjx h LEU 195 CO 0.00 1.27 0.64 -0.62 0.09 0.00 0.00 178.44 179.82 3kjx s ASP 196 N -7.09 6.22 0.34 -0.43 -1.08 0.01 -4.89 116.67 109.75 3kjx s ASP 196 Ca -0.07 -1.04 0.04 0.00 -0.52 0.00 0.00 52.55 50.95 3kjx s ASP 196 Cb 0.09 -2.43 0.61 0.00 -1.46 0.00 0.00 42.92 39.72 3kjx s ASP 196 CO 0.88 -1.45 1.91 1.88 0.52 0.00 0.00 175.17 178.90 3kjx h TYR 197 N 9.56 0.61 -0.36 -5.34 -1.99 -1.89 -2.76 116.97 114.79 3kjx h TYR 197 Ca -0.24 -0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.34 3kjx h TYR 197 Cb 1.06 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 3kjx h TYR 197 CO 1.01 0.53 -0.22 0.00 -0.00 0.00 0.00 178.16 179.48 3kjx h ARG 198 N 0.59 0.71 -0.51 4.88 3.08 -1.98 -0.60 114.38 120.55 3kjx h ARG 198 Ca 0.14 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 3kjx h ARG 198 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kjx h ARG 198 CO -0.00 0.87 -0.13 0.00 -1.07 0.00 0.00 179.97 179.64 3kjx h ALA 199 N 1.13 0.81 -0.63 0.04 0.00 -1.91 -1.92 119.26 116.78 3kjx h ALA 199 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3kjx h ALA 199 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3kjx h ALA 199 CO 0.05 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.14 3kjx h ARG 200 N 0.86 0.97 -0.43 0.00 3.08 -1.21 -1.16 114.38 116.48 3kjx h ARG 200 Ca 0.13 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3kjx h ARG 200 Cb 0.68 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3kjx h ARG 200 CO 0.05 0.84 -0.02 0.87 -1.07 0.00 0.00 179.97 180.64 3kjx h LYS 201 N 0.93 0.72 -0.48 0.04 1.57 -0.79 -1.75 116.57 116.81 3kjx h LYS 201 Ca 0.20 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3kjx h LYS 201 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3kjx h LYS 201 CO -0.01 0.74 -0.10 0.00 -0.57 0.00 0.00 179.45 179.52 3kjx h ARG 202 N 0.67 0.91 -0.42 3.15 3.08 -0.69 -2.56 114.38 118.53 3kjx h ARG 202 Ca 0.13 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3kjx h ARG 202 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kjx h ARG 202 CO 0.02 0.99 0.19 0.35 -1.07 0.00 0.00 179.97 180.45 3kjx h PHE 203 N 0.76 0.57 0.07 3.04 3.57 -0.94 -2.09 116.94 121.93 3kjx h PHE 203 Ca 0.12 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kjx h PHE 203 Cb 0.64 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3kjx h PHE 203 CO 0.05 0.44 -0.03 0.93 -2.23 0.00 0.00 178.31 177.46 3kjx h GLU 204 N 0.59 -0.09 0.00 1.11 5.08 -1.05 -0.61 114.58 119.60 3kjx h GLU 204 Ca 0.15 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3kjx h GLU 204 Cb 0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kjx h GLU 204 CO -0.02 0.26 -0.22 0.78 -1.00 0.00 0.00 179.01 178.81 3kjx h GLY 205 N -0.46 0.00 0.60 -3.84 0.00 -1.38 -1.19 103.07 96.81 3kjx h GLY 205 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3kjx h GLY 205 CO 0.02 0.00 -0.07 -2.75 0.00 0.00 0.00 176.54 173.74 3kjx h PHE 206 N 0.00 0.19 0.50 5.60 3.57 -1.29 -2.83 116.94 122.67 3kjx h PHE 206 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3kjx h PHE 206 Cb 0.50 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3kjx h PHE 206 CO 0.00 0.62 -0.37 1.15 -2.23 0.00 0.00 178.31 177.48 3kjx h THR 207 N -0.29 0.25 -0.14 4.41 2.02 -0.69 -3.02 112.91 115.44 3kjx h THR 207 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3kjx h THR 207 Cb 0.59 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3kjx h THR 207 CO 0.02 0.00 -0.11 -0.33 0.37 0.00 0.00 175.52 175.47 3kjx h GLU 208 N -0.85 -0.03 -1.10 6.66 5.08 -1.29 0.43 114.58 123.47 3kjx h GLU 208 Ca -0.05 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.63 3kjx h GLU 208 Cb 0.72 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 3kjx h GLU 208 CO 0.01 -0.02 0.69 0.28 -1.00 0.00 0.00 179.01 178.97 3kjx h VAL 209 N -0.04 0.37 -0.23 3.13 2.07 -1.61 0.26 116.25 120.21 3kjx h VAL 209 Ca 0.02 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.25 3kjx h VAL 209 Cb 0.09 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3kjx h VAL 209 CO -0.15 0.06 -0.59 -0.07 0.02 0.00 0.00 177.57 176.84 3kjx h LEU 210 N 0.31 0.91 -0.97 2.57 3.38 -0.67 -2.88 115.31 117.96 3kjx h LEU 210 Ca 0.69 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3kjx h LEU 210 Cb 1.80 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3kjx h LEU 210 CO -0.40 1.31 -0.46 1.23 0.09 0.00 0.00 178.44 180.21 3kjx h GLY 211 N 0.54 0.00 1.82 0.83 0.00 0.30 0.46 103.07 107.03 3kjx h GLY 211 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kjx h GLY 211 CO 0.13 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.85 3kjx n LYS 212 N -3.76 0.05 -0.39 4.80 5.02 0.05 -2.73 118.16 121.19 3kjx n LYS 212 Ca -0.01 0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3kjx n LYS 212 Cb 0.52 -1.55 0.24 0.00 -0.02 0.00 0.00 35.03 34.22 3kjx n LYS 212 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kjx n ASN 213 N -1.63 3.76 -1.79 4.39 3.02 -1.01 -4.95 115.26 117.05 3kjx n ASN 213 Ca 0.06 -2.56 -0.16 0.00 -0.03 0.00 0.00 54.58 51.90 3kjx n ASN 213 Cb 0.36 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3kjx n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjx n GLY 214 N 0.17 -0.15 3.42 7.41 0.00 -1.09 -5.01 105.19 109.94 3kjx n GLY 214 Ca 0.19 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3kjx n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjx s VAL 215 N -2.79 2.36 0.09 1.61 1.01 0.16 -5.01 120.40 117.83 3kjx s VAL 215 Ca 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 59.97 3kjx s VAL 215 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3kjx s VAL 215 CO 0.00 -0.06 0.11 -1.61 0.00 0.00 0.00 175.10 173.53 3kjx s GLU 216 N -2.52 0.80 -0.23 2.72 2.02 -1.26 -3.15 118.70 117.08 3kjx s GLU 216 Ca 0.19 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 3kjx s GLU 216 Cb -0.08 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 3kjx s GLU 216 CO 0.09 -0.23 1.47 0.42 0.02 0.00 0.00 175.26 177.03 3kjx s ILE 217 N -3.91 3.91 0.04 -1.63 -1.09 -1.26 -4.06 121.20 113.20 3kjx s ILE 217 Ca 0.09 1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 59.29 3kjx s ILE 217 Cb 0.06 -3.87 -0.17 0.00 -1.58 0.00 0.00 42.46 36.90 3kjx s ILE 217 CO -0.08 -0.32 1.47 -0.08 -1.23 0.00 0.00 174.94 174.70 3kjx h GLU 218 N 9.85 -0.23 -5.23 2.79 4.81 -1.27 -3.44 114.58 121.87 3kjx h GLU 218 Ca -0.31 0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.41 3kjx h GLU 218 Cb 1.13 0.05 -0.31 0.00 0.63 0.00 0.00 28.75 30.26 3kjx h GLU 218 CO 1.00 0.01 -0.82 0.34 -0.73 0.00 0.00 179.01 178.81 3kjx s ASP 219 N -5.17 1.90 -0.07 1.04 -1.08 -1.22 -5.06 116.67 107.01 3kjx s ASP 219 Ca -0.15 -0.30 -0.04 0.00 -0.52 0.00 0.00 52.55 51.54 3kjx s ASP 219 Cb 0.04 -0.43 0.03 0.00 -1.46 0.00 0.00 42.92 41.09 3kjx s ASP 219 CO 0.62 0.15 0.16 -0.60 0.52 0.00 0.00 175.17 176.03 3kjx s ARG 220 N -0.05 0.14 -0.05 4.34 3.52 -1.26 -1.44 118.95 124.14 3kjx s ARG 220 Ca -0.01 0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.92 3kjx s ARG 220 Cb -0.09 -0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.24 3kjx s ARG 220 CO 0.01 -0.12 0.08 -2.00 -0.81 0.00 0.00 175.30 172.46 3kjx s GLU 221 N 0.86 -0.04 0.08 5.12 2.12 -0.48 -4.99 118.70 121.37 3kjx s GLU 221 Ca -0.06 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.65 3kjx s GLU 221 Cb -0.08 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 3kjx s GLU 221 CO -0.05 -0.30 0.25 -0.06 -0.54 0.00 0.00 175.26 174.57 3kjx s PHE 222 N 2.01 3.51 -0.04 5.30 0.40 -1.26 -2.22 117.98 125.68 3kjx s PHE 222 Ca 0.02 0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 3kjx s PHE 222 Cb -0.12 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.59 3kjx s PHE 222 CO -0.04 0.55 -0.12 -0.47 0.70 0.00 0.00 175.22 175.84 3kjx s TYR 223 N -1.55 1.29 -0.03 0.36 5.04 -0.35 -4.92 117.35 117.18 3kjx s TYR 223 Ca 0.36 -0.37 0.13 0.00 -2.44 0.00 0.00 57.07 54.75 3kjx s TYR 223 Cb -0.13 -0.91 0.05 0.00 0.35 0.00 0.00 41.96 41.32 3kjx s TYR 223 CO 0.27 -0.16 1.43 1.03 -1.34 0.00 0.00 175.55 176.78 3kjx h SER 224 N 6.48 0.00 -1.29 4.32 0.87 -1.93 0.47 113.55 122.46 3kjx h SER 224 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3kjx h SER 224 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3kjx h SER 224 CO 0.48 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 178.03 3kjx n GLY 225 N 1.15 -1.03 3.90 5.77 0.00 -1.26 -4.07 105.19 109.64 3kjx n GLY 225 Ca 0.01 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 3kjx n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kjx s GLY 226 N -2.29 1.57 0.51 -0.02 0.00 -1.26 -0.52 107.32 105.31 3kjx s GLY 226 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 3kjx s GLY 226 CO 0.00 -0.17 1.26 -0.56 0.00 0.00 0.00 173.10 173.63 3kjx s SER 227 N -4.18 5.65 -0.28 1.64 0.01 -1.26 -4.84 113.70 110.44 3kjx s SER 227 Ca 0.52 2.52 -0.23 0.00 1.31 0.00 0.00 55.95 60.07 3kjx s SER 227 Cb -0.11 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.62 3kjx s SER 227 CO 0.48 -1.29 0.93 0.00 0.41 0.00 0.00 173.24 173.77 3kjx s ALA 228 N -1.44 -1.96 0.29 1.44 0.00 -1.26 -4.96 121.76 113.87 3kjx s ALA 228 Ca 0.69 1.99 -0.01 0.00 0.00 0.00 0.00 51.96 54.63 3kjx s ALA 228 Cb -0.34 -1.42 0.48 0.00 0.00 0.00 0.00 23.12 21.84 3kjx s ALA 228 CO 0.40 -0.28 1.92 1.25 0.00 0.00 0.00 175.76 179.05 3kjx h LEU 229 N 4.82 0.95 -0.42 0.00 5.85 -1.95 -0.90 115.31 123.66 3kjx h LEU 229 Ca -0.29 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.28 3kjx h LEU 229 Cb 1.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3kjx h LEU 229 CO 0.11 0.63 -0.33 0.00 -0.34 0.00 0.00 178.44 178.52 3kjx h ALA 230 N 1.49 0.61 -0.78 1.25 0.00 -1.95 -2.57 119.26 117.31 3kjx h ALA 230 Ca 0.38 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kjx h ALA 230 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kjx h ALA 230 CO -0.13 0.68 0.30 -0.22 0.00 0.00 0.00 179.25 179.88 3kjx h LYS 231 N 0.81 1.17 -0.59 0.00 1.63 -1.73 -0.28 116.57 117.57 3kjx h LYS 231 Ca 0.08 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.62 3kjx h LYS 231 Cb 0.92 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 3kjx h LYS 231 CO 0.09 0.95 0.22 0.78 -3.45 0.00 0.00 179.45 178.04 3kjx h GLY 232 N 1.14 0.94 0.79 5.01 0.00 -1.10 -2.98 103.07 106.86 3kjx h GLY 232 Ca 0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kjx h GLY 232 CO -0.02 0.47 -0.11 -0.09 0.00 0.00 0.00 176.54 176.79 3kjx h ARG 233 N 0.86 -0.30 -0.14 4.80 2.43 -0.93 -1.83 114.38 119.27 3kjx h ARG 233 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3kjx h ARG 233 Cb 0.20 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3kjx h ARG 233 CO -0.01 -0.05 0.00 -1.91 -1.51 0.00 0.00 179.97 176.49 3kjx n GLU 234 N -5.13 0.00 0.00 0.20 2.13 -0.19 -2.19 120.64 115.46 3kjx n GLU 234 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3kjx n GLU 234 Cb 0.21 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 30.95 3kjx n GLU 234 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3kjx n THR 236 N 0.48 0.00 0.07 6.31 -1.04 -0.69 -1.50 114.28 117.92 3kjx n THR 236 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3kjx n THR 236 Cb 0.00 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.78 3kjx n THR 236 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3kjx h GLN 237 N 0.00 0.32 -1.39 -2.82 4.15 -1.70 -2.06 115.11 111.61 3kjx h GLN 237 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3kjx h GLN 237 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3kjx h GLN 237 CO 0.00 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.46 3kjx n ALA 238 N -2.48 2.77 0.00 3.38 0.00 -0.56 -2.91 120.51 120.71 3kjx n ALA 238 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kjx n ALA 238 Cb 0.38 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kjx n ALA 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kjx n LEU 240 N 0.86 0.00 -0.02 0.00 4.77 -0.77 -2.97 117.00 118.88 3kjx n LEU 240 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3kjx n LEU 240 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3kjx n LEU 240 CO 0.00 0.00 -0.50 -0.08 -1.33 0.00 0.00 177.39 175.48 3kjx h GLU 241 N 0.00 0.01 0.17 3.23 4.81 -1.79 -2.71 114.58 118.30 3kjx h GLU 241 Ca 0.00 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 3kjx h GLU 241 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3kjx h GLU 241 CO 0.00 0.55 -1.75 -0.09 -0.73 0.00 0.00 179.01 176.99 3kjx h ARG 242 N 0.00 0.36 -2.10 1.92 2.43 -1.80 -3.42 114.38 111.78 3kjx h ARG 242 Ca -0.28 -0.62 -0.57 0.00 -0.81 0.00 0.00 59.98 57.70 3kjx h ARG 242 Cb 2.00 0.23 -0.39 0.00 -0.42 0.00 0.00 29.97 31.40 3kjx h ARG 242 CO 0.08 1.30 -1.06 0.43 -1.51 0.00 0.00 179.97 179.21 3kjx n SER 243 N -3.62 0.16 0.00 -3.80 7.64 -1.26 -4.99 113.62 107.75 3kjx n SER 243 Ca -0.26 -2.65 0.01 0.00 1.01 0.00 0.00 58.87 56.98 3kjx n SER 243 Cb 1.05 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 63.68 3kjx n SER 243 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3kjx n PRO 244 N 1.73 0.06 0.00 1.43 -0.04 -1.02 -2.87 135.00 134.28 3kjx n PRO 244 Ca 0.23 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 3kjx n PRO 244 Cb 0.51 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 3kjx n PRO 244 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kjx n ASP 245 N -0.96 2.77 -4.58 3.54 8.00 -1.26 -5.00 116.55 119.05 3kjx n ASP 245 Ca 0.01 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 3kjx n ASP 245 Cb 0.01 0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.22 3kjx n ASP 245 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kjx n LEU 246 N 1.18 2.79 0.00 0.64 4.77 -1.14 -4.95 117.00 120.29 3kjx n LEU 246 Ca 0.12 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 3kjx n LEU 246 Cb 0.53 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3kjx n LEU 246 CO 0.14 -2.34 0.10 -0.90 -1.33 0.00 0.00 177.39 173.06 3kjx n ASP 247 N -1.82 0.40 -3.70 -1.43 5.75 -1.20 -4.82 116.55 109.73 3kjx n ASP 247 Ca 0.12 -0.72 -0.13 0.00 -0.01 0.00 0.00 54.79 54.05 3kjx n ASP 247 Cb 0.50 0.33 -0.09 0.00 -1.03 0.00 0.00 41.12 40.83 3kjx n ASP 247 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kjx s PHE 248 N -0.33 -0.59 -0.17 2.11 5.36 -1.26 -1.37 117.98 121.73 3kjx s PHE 248 Ca 0.00 1.40 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 3kjx s PHE 248 Cb 0.00 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.93 3kjx s PHE 248 CO 0.00 -0.29 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.82 3kjx s LEU 249 N 0.44 2.02 -0.19 6.12 1.43 -0.69 -0.88 118.68 126.93 3kjx s LEU 249 Ca -0.01 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 3kjx s LEU 249 Cb -0.04 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3kjx s LEU 249 CO -0.02 -0.08 0.04 -0.47 0.23 0.00 0.00 176.35 176.06 3kjx s TYR 250 N 1.40 3.16 0.02 0.29 5.04 0.22 -2.01 117.35 125.48 3kjx s TYR 250 Ca 0.03 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 3kjx s TYR 250 Cb -0.14 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.04 3kjx s TYR 250 CO -0.10 -0.01 0.04 0.71 -1.34 0.00 0.00 175.55 174.84 3kjx s TYR 251 N 0.69 3.16 0.43 4.97 2.02 0.07 -4.29 117.35 124.40 3kjx s TYR 251 Ca 0.02 0.11 0.09 0.00 -0.37 0.00 0.00 57.07 56.93 3kjx s TYR 251 Cb -0.13 -1.67 0.94 0.00 -0.40 0.00 0.00 41.96 40.69 3kjx s TYR 251 CO 0.02 0.50 2.06 1.03 -1.57 0.00 0.00 175.55 177.60 3kjx h SER 252 N 4.01 0.35 -5.28 2.29 0.87 -1.93 -3.36 113.55 110.51 3kjx h SER 252 Ca -0.49 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 3kjx h SER 252 Cb 1.18 -0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.94 3kjx h SER 252 CO 0.61 0.27 -0.20 0.54 -0.53 0.00 0.00 176.83 177.52 3kjx s ASN 253 N -6.79 -0.05 0.00 6.23 2.20 -1.26 -4.42 114.94 110.84 3kjx s ASN 253 Ca -0.07 -0.94 -0.00 0.00 -0.94 0.00 0.00 52.86 50.90 3kjx s ASN 253 Cb 0.17 0.54 -0.01 0.00 -2.00 0.00 0.00 41.25 39.95 3kjx s ASN 253 CO 0.72 -1.06 1.09 0.47 -2.94 0.00 0.00 177.10 175.38 3kjx n ASP 254 N -0.34 2.80 0.00 3.54 8.00 -0.20 -2.84 116.55 127.51 3kjx n ASP 254 Ca -0.03 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.73 3kjx n ASP 254 Cb 0.63 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3kjx n ASP 254 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3kjx n ILE 256 N 1.78 0.00 -0.10 0.53 -5.35 -1.26 0.17 119.36 115.12 3kjx n ILE 256 Ca 0.01 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.40 3kjx n ILE 256 Cb 0.27 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.16 3kjx n ILE 256 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kjx h ALA 257 N 0.00 0.42 -0.72 -1.28 0.00 -1.88 -1.20 119.26 114.60 3kjx h ALA 257 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3kjx h ALA 257 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3kjx h ALA 257 CO 0.00 -0.08 0.47 0.00 0.00 0.00 0.00 179.25 179.64 3kjx h ALA 258 N 1.08 1.75 -0.06 0.00 0.00 -0.58 0.47 119.26 121.93 3kjx h ALA 258 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kjx h ALA 258 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kjx h ALA 258 CO -0.02 0.12 -0.01 0.78 0.00 0.00 0.00 179.25 180.11 3kjx h GLY 259 N 0.70 0.13 0.78 0.00 0.00 -1.56 -1.62 103.07 101.50 3kjx h GLY 259 Ca 0.32 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.58 3kjx h GLY 259 CO -0.11 0.09 0.16 -1.33 0.00 0.00 0.00 176.54 175.36 3kjx h GLY 260 N -0.22 0.48 0.17 4.60 0.00 -0.17 -2.19 103.07 105.75 3kjx h GLY 260 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.26 3kjx h GLY 260 CO 0.01 0.08 -0.44 -2.00 0.00 0.00 0.00 176.54 174.18 3kjx h LEU 261 N 0.34 -1.34 -0.90 3.11 5.85 0.04 -1.42 115.31 120.99 3kjx h LEU 261 Ca 0.16 0.15 0.13 0.00 0.84 0.00 0.00 57.88 59.16 3kjx h LEU 261 Cb 0.09 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3kjx h LEU 261 CO -0.12 -0.49 0.51 -0.07 -0.34 0.00 0.00 178.44 177.93 3kjx h LEU 262 N -0.63 0.69 0.16 2.25 3.38 -1.16 -1.83 115.31 118.16 3kjx h LEU 262 Ca 0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kjx h LEU 262 Cb 0.68 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kjx h LEU 262 CO -0.30 0.33 -0.15 0.22 0.09 0.00 0.00 178.44 178.63 3kjx h TYR 263 N 0.76 -0.39 -0.39 1.13 3.20 -0.71 -1.17 116.97 119.41 3kjx h TYR 263 Ca 0.47 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.38 3kjx h TYR 263 Cb 0.58 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 3kjx h TYR 263 CO -0.05 -0.23 0.16 -0.07 -1.64 0.00 0.00 178.16 176.32 3kjx h LEU 264 N -0.33 0.20 -1.94 2.82 4.07 -0.72 0.03 115.31 119.44 3kjx h LEU 264 Ca 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 3kjx h LEU 264 Cb 0.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 3kjx h LEU 264 CO -0.03 0.15 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.32 3kjx h LEU 265 N 0.33 0.00 -0.21 1.67 3.38 -1.23 -0.87 115.31 118.39 3kjx h LEU 265 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3kjx h LEU 265 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kjx h LEU 265 CO -0.16 0.09 -0.93 -0.08 0.09 0.00 0.00 178.44 177.45 3kjx h GLU 266 N 0.00 0.28 -0.21 1.13 4.81 0.15 -2.81 114.58 117.92 3kjx h GLU 266 Ca -0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3kjx h GLU 266 Cb 0.34 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kjx h GLU 266 CO 0.01 1.03 0.00 1.04 -0.73 0.00 0.00 179.01 180.36 3kjx n GLN 267 N -3.68 1.17 -2.20 1.92 1.13 -0.15 -4.88 117.38 110.68 3kjx n GLN 267 Ca -0.05 -0.22 -0.18 0.00 -1.94 0.00 0.00 57.00 54.60 3kjx n GLN 267 Cb 0.83 -1.13 -0.03 0.00 0.11 0.00 0.00 30.24 30.02 3kjx n GLN 267 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kjx n GLY 268 N 0.50 0.03 3.92 1.08 0.00 -1.01 -4.99 105.19 104.73 3kjx n GLY 268 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3kjx n GLY 268 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjx s ILE 269 N -2.83 5.05 -0.08 -0.61 -4.36 -0.99 -5.03 121.20 112.35 3kjx s ILE 269 Ca 0.00 -0.17 -0.12 0.00 -0.26 0.00 0.00 60.65 60.10 3kjx s ILE 269 Cb 0.00 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.85 3kjx s ILE 269 CO 0.00 -0.50 0.29 -0.62 0.24 0.00 0.00 174.94 174.35 3kjx s ASP 270 N -3.69 6.58 -0.12 4.36 2.15 -1.26 -4.58 116.67 120.11 3kjx s ASP 270 Ca 0.42 0.68 0.02 0.00 0.43 0.00 0.00 52.55 54.11 3kjx s ASP 270 Cb -0.10 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.36 3kjx s ASP 270 CO 0.35 0.29 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.83 3kjx s ILE 271 N -0.66 1.69 -0.46 4.11 -1.09 -1.26 -0.79 121.20 122.73 3kjx s ILE 271 Ca 0.19 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 3kjx s ILE 271 Cb -0.14 -1.52 0.46 0.00 -1.58 0.00 0.00 42.46 39.68 3kjx s ILE 271 CO 0.08 0.48 1.33 -0.81 -1.23 0.00 0.00 174.94 174.79 3kjx n PRO 272 N 4.10 2.83 0.01 2.79 -0.04 -1.26 -4.32 135.00 139.11 3kjx n PRO 272 Ca -0.19 -1.84 -0.01 0.00 -0.04 0.00 0.00 63.50 61.42 3kjx n PRO 272 Cb 0.51 -1.88 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3kjx n PRO 272 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3kjx h GLY 273 N 3.76 -1.01 1.06 0.55 0.00 -1.91 -3.32 103.07 102.19 3kjx h GLY 273 Ca 0.12 0.44 -0.34 0.00 0.00 0.00 0.00 47.33 47.54 3kjx h GLY 273 CO 0.40 -0.38 -1.65 -1.61 0.00 0.00 0.00 176.54 173.30 3kjx h GLN 274 N -0.04 0.41 -2.43 4.80 4.15 -1.34 -3.47 115.11 117.18 3kjx h GLN 274 Ca -0.00 -0.69 -0.08 0.00 0.77 0.00 0.00 58.65 58.65 3kjx h GLN 274 Cb 0.04 0.26 -0.24 0.00 0.21 0.00 0.00 27.48 27.75 3kjx h GLN 274 CO -0.01 1.32 -0.15 -1.50 -1.93 0.00 0.00 178.83 176.56 3kjx s ILE 275 N -2.59 -0.01 0.42 2.39 2.07 -1.07 -4.66 121.20 117.75 3kjx s ILE 275 Ca -0.13 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.22 3kjx s ILE 275 Cb 0.05 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.90 3kjx s ILE 275 CO 0.88 0.01 0.57 -0.83 -1.91 0.00 0.00 174.94 173.66 3kjx s GLY 276 N 1.02 1.93 0.06 1.50 0.00 -0.47 -4.28 107.32 107.08 3kjx s GLY 276 Ca -0.06 -1.65 -0.24 0.00 0.00 0.00 0.00 44.72 42.76 3kjx s GLY 276 CO -0.09 -1.48 0.58 0.48 0.00 0.00 0.00 173.10 172.59 3kjx s LEU 277 N -4.34 -0.36 0.19 0.66 0.05 0.77 -1.70 118.68 113.94 3kjx s LEU 277 Ca 0.54 0.24 -0.13 0.00 0.05 0.00 0.00 54.13 54.83 3kjx s LEU 277 Cb -0.10 2.37 0.01 0.00 -2.05 0.00 0.00 46.19 46.42 3kjx s LEU 277 CO 0.33 -0.78 0.41 0.00 -0.55 0.00 0.00 176.35 175.76 3kjx s ALA 278 N -2.60 -0.40 0.00 1.48 0.00 -0.85 -3.92 121.76 115.47 3kjx s ALA 278 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3kjx s ALA 278 Cb -0.01 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 3kjx s ALA 278 CO -0.03 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3kjx n GLY 279 N -0.29 5.33 3.36 0.00 0.00 -0.31 -0.75 105.19 112.53 3kjx n GLY 279 Ca -0.07 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 3kjx n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kjx s PHE 280 N 0.92 -0.40 0.00 1.61 5.36 -1.26 -4.44 117.98 119.78 3kjx s PHE 280 Ca 0.00 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3kjx s PHE 280 Cb 0.00 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 3kjx s PHE 280 CO 0.00 -0.46 0.00 0.09 -1.46 0.00 0.00 175.22 173.39 3kjx n ASN 281 N 1.31 0.00 -3.14 6.13 3.02 -1.26 -1.03 115.26 120.28 3kjx n ASN 281 Ca -0.20 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 3kjx n ASN 281 Cb 0.56 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.79 3kjx n ASN 281 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kjx n ASN 282 N 0.49 -6.54 -4.84 6.41 5.15 -1.26 -2.50 115.26 112.16 3kjx n ASN 282 Ca 0.00 -0.61 -0.32 0.00 -0.60 0.00 0.00 54.58 53.05 3kjx n ASN 282 Cb 0.00 -4.99 -0.04 0.00 -0.53 0.00 0.00 39.78 34.21 3kjx n ASN 282 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kjx s VAL 283 N -3.33 4.54 0.44 3.44 -7.23 -1.26 -4.88 120.40 112.11 3kjx s VAL 283 Ca 0.39 1.19 0.19 0.00 -1.81 0.00 0.00 61.98 61.94 3kjx s VAL 283 Cb -0.05 -3.69 0.38 0.00 0.56 0.00 0.00 36.38 33.58 3kjx s VAL 283 CO 0.70 -0.58 1.89 -0.08 -0.31 0.00 0.00 175.10 176.73 3kjx h GLU 284 N 1.20 0.33 -1.00 4.82 4.81 -2.03 -1.23 114.58 121.49 3kjx h GLU 284 Ca -0.47 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 58.95 3kjx h GLU 284 Cb 1.18 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.37 3kjx h GLU 284 CO 0.62 0.22 0.59 1.25 -0.73 0.00 0.00 179.01 180.96 3kjx h LEU 285 N 0.34 0.71 -1.72 1.64 6.46 -2.02 0.22 115.31 120.95 3kjx h LEU 285 Ca 0.41 0.12 0.21 0.00 -0.12 0.00 0.00 57.88 58.50 3kjx h LEU 285 Cb 1.08 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.96 3kjx h LEU 285 CO -0.13 0.19 0.58 -0.07 -0.62 0.00 0.00 178.44 178.39 3kjx h LEU 286 N 0.66 0.23 -2.38 2.25 4.07 -1.60 0.09 115.31 118.64 3kjx h LEU 286 Ca 0.61 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.59 3kjx h LEU 286 Cb 1.05 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 3kjx h LEU 286 CO -0.43 0.09 -0.01 -0.61 -1.08 0.00 0.00 178.44 176.40 3kjx h GLN 287 N 0.23 0.00 -0.41 1.13 5.75 -0.70 -2.60 115.11 118.51 3kjx h GLN 287 Ca 0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 3kjx h GLN 287 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3kjx h GLN 287 CO -0.10 0.01 0.00 0.41 -2.65 0.00 0.00 178.83 176.50 3kjx n GLY 288 N -0.68 1.80 3.89 2.39 0.00 0.02 -4.98 105.19 107.62 3kjx n GLY 288 Ca -0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3kjx n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjx s LEU 289 N -1.46 3.79 0.54 0.99 1.43 -0.98 -4.99 118.68 118.00 3kjx s LEU 289 Ca 0.40 0.99 0.21 0.00 -1.03 0.00 0.00 54.13 54.70 3kjx s LEU 289 Cb 0.23 -3.89 1.40 0.00 0.03 0.00 0.00 46.19 43.96 3kjx s LEU 289 CO 0.32 -0.43 2.11 1.55 0.23 0.00 0.00 176.35 180.13 3kjx h PRO 290 N 0.94 0.00 -5.33 1.29 0.13 -1.94 -3.43 132.00 123.67 3kjx h PRO 290 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 3kjx h PRO 290 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3kjx h PRO 290 CO 0.63 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.73 3kjx s ARG 291 N -4.96 1.29 -0.51 0.86 1.81 -1.26 -5.11 118.95 111.06 3kjx s ARG 291 Ca -0.05 -1.59 -0.17 0.00 -1.72 0.00 0.00 55.73 52.19 3kjx s ARG 291 Cb 0.17 -0.89 0.08 0.00 -0.45 0.00 0.00 34.95 33.86 3kjx s ARG 291 CO 0.66 0.08 0.53 0.15 -0.68 0.00 0.00 175.30 176.04 3kjx s LYS 292 N -3.72 3.03 0.12 3.54 1.02 -1.26 -4.99 119.74 117.48 3kjx s LYS 292 Ca 0.23 -1.26 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 3kjx s LYS 292 Cb 0.02 -4.17 -0.08 0.00 -0.52 0.00 0.00 37.83 33.08 3kjx s LYS 292 CO 0.06 -1.21 1.42 -1.17 -0.92 0.00 0.00 175.35 173.53 3kjx s LEU 293 N 2.10 4.37 0.32 3.17 2.96 -1.26 -4.17 118.68 126.16 3kjx s LEU 293 Ca 0.08 2.38 -0.29 0.00 -0.22 0.00 0.00 54.13 56.08 3kjx s LEU 293 Cb -0.24 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.77 3kjx s LEU 293 CO 0.08 -0.69 1.33 0.00 -1.32 0.00 0.00 176.35 175.75 3kjx s ALA 294 N 1.14 3.52 0.00 5.97 0.00 -1.25 -4.91 121.76 126.23 3kjx s ALA 294 Ca 0.66 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3kjx s ALA 294 Cb -0.38 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.24 3kjx s ALA 294 CO 0.30 -0.67 0.00 -2.37 0.00 0.00 0.00 175.76 173.02 3kjx n THR 295 N 1.08 0.00 -4.74 0.00 5.66 -0.32 -1.16 114.28 114.80 3kjx n THR 295 Ca 0.01 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.68 3kjx n THR 295 Cb 0.41 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.07 3kjx n THR 295 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kjx s ASP 297 N 2.00 4.37 0.00 1.09 2.15 -1.26 0.59 116.67 125.61 3kjx s ASP 297 Ca 0.00 -0.10 0.25 0.00 0.43 0.00 0.00 52.55 53.13 3kjx s ASP 297 Cb 0.00 -1.06 0.50 0.00 -0.30 0.00 0.00 42.92 42.06 3kjx s ASP 297 CO 0.00 0.35 1.43 0.00 -0.17 0.00 0.00 175.17 176.78 3kjx n ALA 298 N 2.33 2.61 -3.26 3.66 0.00 -1.04 -4.77 120.51 120.04 3kjx n ALA 298 Ca -0.18 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.44 3kjx n ALA 298 Cb 0.53 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.08 3kjx n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjx h ARG 300 N -1.82 -0.48 0.09 0.00 3.08 -1.92 0.10 114.38 113.44 3kjx h ARG 300 Ca -0.54 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3kjx h ARG 300 Cb 1.37 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.53 3kjx h ARG 300 CO 0.57 -0.32 -0.04 1.25 -1.07 0.00 0.00 179.97 180.36 3kjx h LEU 301 N -0.50 -0.10 -0.85 3.04 5.85 -1.89 -2.62 115.31 118.24 3kjx h LEU 301 Ca 0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kjx h LEU 301 Cb 0.61 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3kjx h LEU 301 CO -0.35 -0.06 0.52 -0.33 -0.34 0.00 0.00 178.44 177.89 3kjx h GLU 302 N -0.14 1.14 -0.59 1.25 3.07 -1.89 -1.96 114.58 115.47 3kjx h GLU 302 Ca -0.01 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 3kjx h GLU 302 Cb 0.11 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3kjx h GLU 302 CO 0.02 0.80 0.31 0.82 -1.40 0.00 0.00 179.01 179.55 3kjx h ILE 303 N 1.16 1.20 -0.55 3.13 2.04 -0.88 -1.08 117.51 122.54 3kjx h ILE 303 Ca 0.31 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 3kjx h ILE 303 Cb -0.06 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3kjx h ILE 303 CO -0.06 0.22 -0.09 1.23 0.00 0.00 0.00 178.15 179.46 3kjx h GLY 304 N 0.80 1.10 0.91 5.37 0.00 -1.25 -0.97 103.07 109.02 3kjx h GLY 304 Ca 0.20 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 3kjx h GLY 304 CO -0.03 0.80 0.08 3.21 0.00 0.00 0.00 176.54 180.61 3kjx h ARG 305 N 0.90 0.52 -0.18 4.80 3.08 -1.19 -2.26 114.38 120.07 3kjx h ARG 305 Ca 0.14 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3kjx h ARG 305 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3kjx h ARG 305 CO 0.04 0.58 -0.26 -0.22 -1.07 0.00 0.00 179.97 179.05 3kjx h LYS 306 N 0.37 0.33 -0.25 0.04 3.64 -1.11 -0.19 116.57 119.39 3kjx h LYS 306 Ca 0.10 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3kjx h LYS 306 Cb 0.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3kjx h LYS 306 CO 0.00 0.57 -0.17 0.00 -2.27 0.00 0.00 179.45 177.58 3kjx h ALA 307 N 1.44 0.35 -0.31 5.00 0.00 -1.08 -1.62 119.26 123.04 3kjx h ALA 307 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3kjx h ALA 307 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kjx h ALA 307 CO 0.04 0.26 0.20 0.00 0.00 0.00 0.00 179.25 179.76 3kjx h ALA 308 N 0.70 0.40 -0.76 0.00 0.00 -1.18 -1.52 119.26 116.90 3kjx h ALA 308 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kjx h ALA 308 Cb 0.70 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3kjx h ALA 308 CO 0.05 -0.15 0.44 1.49 0.00 0.00 0.00 179.25 181.08 3kjx h GLU 309 N 0.41 0.77 0.05 0.00 4.81 -0.94 0.37 114.58 120.05 3kjx h GLU 309 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kjx h GLU 309 Cb -0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3kjx h GLU 309 CO -0.03 0.51 -0.02 0.82 -0.73 0.00 0.00 179.01 179.56 3kjx h ILE 310 N 0.80 1.04 -0.89 2.32 2.04 -0.86 0.25 117.51 122.20 3kjx h ILE 310 Ca 0.34 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3kjx h ILE 310 Cb 0.21 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3kjx h ILE 310 CO -0.19 0.07 0.58 0.40 0.00 0.00 0.00 178.15 179.01 3kjx h ILE 311 N -0.18 1.23 -0.10 -0.67 2.04 -0.69 -1.45 117.51 117.70 3kjx h ILE 311 Ca -0.01 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3kjx h ILE 311 Cb 0.16 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3kjx h ILE 311 CO 0.01 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.40 3kjx h ALA 312 N 1.32 0.13 0.00 1.87 0.00 -0.04 -2.48 119.26 120.06 3kjx h ALA 312 Ca 0.33 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3kjx h ALA 312 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kjx h ALA 312 CO -0.07 -0.21 -0.46 0.87 0.00 0.00 0.00 179.25 179.38 3kjx h LYS 313 N -0.07 0.00 0.00 0.00 1.57 -0.84 -2.36 116.57 114.87 3kjx h LYS 313 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kjx h LYS 313 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kjx h LYS 313 CO 0.00 0.46 0.00 0.54 -0.57 0.00 0.00 179.45 179.88 3kjx n ARG 314 N -3.91 0.06 -0.03 3.15 1.74 -0.56 -2.31 116.66 114.81 3kjx n ARG 314 Ca -0.01 0.07 -0.17 0.00 -0.77 0.00 0.00 57.85 56.96 3kjx n ARG 314 Cb 0.49 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 3kjx n ARG 314 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kjx n LEU 315 N -1.69 2.13 0.04 0.55 7.94 -0.94 -3.37 117.00 121.66 3kjx n LEU 315 Ca 0.06 0.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3kjx n LEU 315 Cb 0.35 -0.69 -0.02 0.00 0.53 0.00 0.00 43.42 43.59 3kjx n LEU 315 CO 0.27 0.74 0.27 1.05 -1.11 0.00 0.00 177.39 178.61 3kjx h GLU 316 N 0.04 0.48 -2.43 1.96 4.11 -1.44 -3.39 114.58 113.91 3kjx h GLU 316 Ca -0.43 -0.44 -0.59 0.00 0.07 0.00 0.00 59.36 57.97 3kjx h GLU 316 Cb 2.02 0.10 -0.38 0.00 0.50 0.00 0.00 28.75 31.00 3kjx h GLU 316 CO 0.06 1.08 -0.94 0.34 0.07 0.00 0.00 179.01 179.61 3kjx s ASP 317 N -7.05 1.74 0.54 3.06 -1.08 -0.98 -4.96 116.67 107.94 3kjx s ASP 317 Ca -0.07 -3.14 0.20 0.00 -0.52 0.00 0.00 52.55 49.02 3kjx s ASP 317 Cb 0.09 -0.55 1.10 0.00 -1.46 0.00 0.00 42.92 42.11 3kjx s ASP 317 CO 0.86 -0.16 1.58 -0.65 0.52 0.00 0.00 175.17 177.32 3kjx h PRO 318 N 5.61 0.00 0.00 4.34 0.11 -1.77 0.60 132.00 140.90 3kjx h PRO 318 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3kjx h PRO 318 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3kjx h PRO 318 CO 0.40 0.00 -1.03 0.39 -0.21 0.00 0.00 178.00 177.55 3kjx n GLU 319 N -2.53 0.55 -0.06 1.05 -0.58 -1.26 -4.70 120.64 113.11 3kjx n GLU 319 Ca -0.01 0.09 -0.01 0.00 -0.42 0.00 0.00 57.16 56.80 3kjx n GLU 319 Cb 0.43 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 3kjx n GLU 319 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kjx n ALA 320 N -2.12 -0.09 -0.93 0.62 0.00 0.21 -4.96 120.51 113.25 3kjx n ALA 320 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kjx n ALA 320 Cb 0.53 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.17 3kjx n ALA 320 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kjx n GLU 321 N -3.07 0.00 -4.43 0.00 4.07 -1.26 -5.12 120.64 110.83 3kjx n GLU 321 Ca 0.00 0.31 -0.21 0.00 -0.06 0.00 0.00 57.16 57.21 3kjx n GLU 321 Cb 0.03 -0.72 -0.11 0.00 -0.06 0.00 0.00 31.44 30.59 3kjx n GLU 321 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3kjx s ILE 322 N -0.20 1.15 -0.33 6.31 -4.36 -1.26 -5.08 121.20 117.42 3kjx s ILE 322 Ca 0.00 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.09 3kjx s ILE 322 Cb 0.00 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 3kjx s ILE 322 CO 0.00 -0.05 1.78 -0.70 0.24 0.00 0.00 174.94 176.21 3kjx s GLU 323 N -3.89 3.35 -0.10 0.37 2.12 -1.26 -4.82 118.70 114.47 3kjx s GLU 323 Ca 0.35 1.40 0.16 0.00 0.36 0.00 0.00 54.97 57.25 3kjx s GLU 323 Cb 0.08 -4.19 -0.24 0.00 0.26 0.00 0.00 34.13 30.04 3kjx s GLU 323 CO 0.14 -1.84 0.21 0.25 -0.54 0.00 0.00 175.26 173.48 3kjx n THR 324 N 7.39 0.61 -3.43 -1.70 -2.24 -1.26 -4.83 114.28 108.82 3kjx n THR 324 Ca 0.22 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 3kjx n THR 324 Cb 0.47 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 3kjx n THR 324 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kjx s ARG 325 N -2.79 2.78 -0.09 -0.78 0.52 -1.26 -4.60 118.95 112.73 3kjx s ARG 325 Ca -0.07 -1.80 0.03 0.00 -0.52 0.00 0.00 55.73 53.36 3kjx s ARG 325 Cb 0.08 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.41 3kjx s ARG 325 CO 0.71 -1.26 -0.17 0.42 0.02 0.00 0.00 175.30 175.01 3kjx s ILE 326 N 1.37 2.72 -0.18 1.52 1.01 -1.26 -5.02 121.20 121.35 3kjx s ILE 326 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3kjx s ILE 326 Cb -0.27 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.15 3kjx s ILE 326 CO 0.00 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.46 3kjx s THR 327 N 0.01 1.83 0.06 2.92 2.01 -1.26 -2.26 115.64 118.94 3kjx s THR 327 Ca -0.06 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 3kjx s THR 327 Cb -0.15 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 3kjx s THR 327 CO 0.05 0.38 0.35 -0.76 -0.69 0.00 0.00 174.62 173.94 3kjx s LEU 328 N 1.36 4.34 -0.55 4.42 1.43 0.85 -4.98 118.68 125.56 3kjx s LEU 328 Ca 0.02 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 3kjx s LEU 328 Cb -0.14 -2.93 0.14 0.00 0.03 0.00 0.00 46.19 43.29 3kjx s LEU 328 CO -0.10 0.18 0.32 -1.61 0.23 0.00 0.00 176.35 175.37 3kjx s GLU 329 N -1.99 1.92 0.61 1.70 2.02 -1.26 -4.35 118.70 117.36 3kjx s GLU 329 Ca 0.32 -2.67 -0.13 0.00 0.02 0.00 0.00 54.97 52.51 3kjx s GLU 329 Cb -0.13 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 3kjx s GLU 329 CO 0.19 -1.18 1.04 -1.25 0.02 0.00 0.00 175.26 174.08 3kjx s PRO 330 N -0.45 3.38 0.23 0.39 0.04 -1.26 -5.07 135.00 132.25 3kjx s PRO 330 Ca 0.20 0.99 0.08 0.00 0.04 0.00 0.00 61.00 62.31 3kjx s PRO 330 Cb -0.19 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3kjx s PRO 330 CO -0.05 -0.75 0.05 0.15 0.04 0.00 0.00 177.00 176.44 3kjx s LYS 331 N -4.58 2.51 0.50 4.56 1.02 -1.26 -4.98 119.74 117.51 3kjx s LYS 331 Ca 0.59 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 3kjx s LYS 331 Cb -0.13 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 3kjx s LYS 331 CO 0.45 0.41 1.33 -0.89 -0.92 0.00 0.00 175.35 175.73 3kjx n ILE 332 N -0.68 3.32 -3.88 2.17 5.41 -1.26 -4.34 119.36 120.11 3kjx n ILE 332 Ca -0.08 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 62.82 3kjx n ILE 332 Cb 0.57 -1.65 -0.13 0.00 -0.71 0.00 0.00 39.64 37.72 3kjx n ILE 332 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3kjx s SER 333 N -0.75 4.98 0.00 4.38 0.15 0.20 -5.00 113.70 117.65 3kjx s SER 333 Ca 0.67 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.79 3kjx s SER 333 Cb -0.44 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 3kjx s SER 333 CO 0.53 -0.34 0.00 -1.22 1.20 0.00 0.00 173.24 173.41 3kjx n TYR 334 N 4.59 0.00 -0.57 3.44 4.01 -1.26 -1.18 117.16 126.19 3kjx n TYR 334 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3kjx n TYR 334 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3kjx n TYR 334 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kjx n GLY 335 N 5.00 -1.66 4.34 2.72 0.00 -1.26 -4.49 105.19 109.83 3kjx n GLY 335 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.34 3kjx n GLY 335 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjx n ASP 336 N 0.00 -7.22 0.00 1.61 9.92 -1.26 -4.27 116.55 115.33 3kjx n ASP 336 Ca 0.00 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 3kjx n ASP 336 Cb 0.00 -2.11 0.00 0.00 -0.64 0.00 0.00 41.12 38.37 3kjx n ASP 336 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3kjx n THR 337 N -3.07 0.00 0.01 -3.53 -2.24 -1.26 -4.01 114.28 100.18 3kjx n THR 337 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kjx n THR 337 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3kjx n THR 337 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kjx n LEU 338 N 0.00 -0.01 0.00 3.22 0.00 -1.26 -0.17 117.00 118.78 3kjx n LEU 338 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.06 3kjx n LEU 338 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.46 3kjx n LEU 338 CO 0.00 -0.53 0.05 0.29 0.00 0.00 0.00 177.39 177.21 3kjx n LYS 339 N -2.60 0.00 -0.87 1.96 4.76 -1.26 -4.90 118.16 115.25 3kjx n LYS 339 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3kjx n LYS 339 Cb 0.00 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 3kjx n LYS 339 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90