#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjx n LEU 9 N 0.00 0.00 0.00 2.45 0.00 -1.26 -5.04 117.00 113.15 3kjx n LEU 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3kjx n LEU 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3kjx n LEU 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.39 177.74 3kjx n THR 10 N 0.04 0.00 -0.16 1.96 -2.24 -1.26 -5.05 114.28 107.58 3kjx n THR 10 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kjx n THR 10 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 3kjx n THR 10 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kjx h LEU 11 N 0.00 0.11 -0.08 3.22 3.38 -2.01 -0.38 115.31 119.55 3kjx h LEU 11 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kjx h LEU 11 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kjx h LEU 11 CO 0.00 0.09 0.00 -1.14 0.09 0.00 0.00 178.44 177.48 3kjx n ARG 12 N -5.05 0.07 -0.01 1.13 3.00 -1.26 -0.81 116.66 113.73 3kjx n ARG 12 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3kjx n ARG 12 Cb 0.23 -1.00 -0.01 0.00 0.00 0.00 0.00 32.46 31.68 3kjx n ARG 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3kjx n ASP 13 N -0.42 4.71 0.25 6.15 -0.08 -0.16 -4.43 116.55 122.57 3kjx n ASP 13 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 3kjx n ASP 13 Cb 0.00 0.56 0.61 0.00 2.34 0.00 0.00 41.12 44.63 3kjx n ASP 13 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3kjx h VAL 14 N 0.00 0.38 0.12 5.18 2.07 -0.91 -2.97 116.25 120.12 3kjx h VAL 14 Ca -0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3kjx h VAL 14 Cb 1.01 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3kjx h VAL 14 CO 0.00 0.13 -0.06 -1.28 0.02 0.00 0.00 177.57 176.38 3kjx h SER 15 N 0.00 -0.14 -0.23 0.57 0.87 -1.75 0.38 113.55 113.25 3kjx h SER 15 Ca -0.00 -0.35 0.07 0.00 -1.23 0.00 0.00 61.79 60.28 3kjx h SER 15 Cb 0.57 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3kjx h SER 15 CO 0.02 0.30 0.26 -0.33 -0.53 0.00 0.00 176.83 176.55 3kjx h GLU 16 N -0.61 0.00 0.00 2.24 5.08 -1.73 6.35 114.58 125.91 3kjx h GLU 16 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kjx h GLU 16 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kjx h GLU 16 CO 0.03 0.00 -0.60 0.00 -1.00 0.00 0.00 179.01 177.44 3kjx n ALA 17 N -2.34 0.53 0.23 3.43 0.00 -1.19 -4.07 120.51 117.11 3kjx n ALA 17 Ca 0.03 -0.51 0.17 0.00 0.00 0.00 0.00 53.44 53.12 3kjx n ALA 17 Cb 0.39 0.02 0.86 0.00 0.00 0.00 0.00 19.45 20.72 3kjx n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kjx h SER 18 N -0.88 0.00 -0.10 0.00 0.87 -0.15 -3.45 113.55 109.84 3kjx h SER 18 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3kjx h SER 18 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3kjx h SER 18 CO 0.00 0.00 -0.04 0.61 -0.53 0.00 0.00 176.83 176.87 3kjx n GLY 19 N -1.37 0.40 3.85 5.77 0.00 2.05 -4.96 105.19 110.92 3kjx n GLY 19 Ca 0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3kjx n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjx s VAL 20 N -1.58 5.18 0.01 1.61 1.01 -1.09 -4.97 120.40 120.58 3kjx s VAL 20 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3kjx s VAL 20 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3kjx s VAL 20 CO 0.00 0.43 0.18 -1.54 0.00 0.00 0.00 175.10 174.17 3kjx n SER 21 N 1.38 -0.10 0.00 3.32 3.41 -1.26 -4.59 113.62 115.77 3kjx n SER 21 Ca -0.14 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3kjx n SER 21 Cb 0.53 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3kjx n SER 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kjx n GLU 22 N -3.57 0.00 0.00 4.33 2.13 -1.26 -5.02 120.64 117.25 3kjx n GLU 22 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kjx n GLU 22 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 3kjx n GLU 22 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3kjx n THR 24 N 0.00 0.00 0.00 6.31 -1.04 -1.26 -4.39 114.28 113.90 3kjx n THR 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kjx n THR 24 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3kjx n THR 24 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kjx n VAL 25 N 0.00 0.00 0.43 12.58 0.31 -1.26 0.99 118.33 131.37 3kjx n VAL 25 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3kjx n VAL 25 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3kjx n VAL 25 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3kjx h SER 26 N 0.00 -0.93 -0.41 4.52 0.87 -2.00 -1.61 113.55 113.98 3kjx h SER 26 Ca 0.00 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.71 3kjx h SER 26 Cb 0.00 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3kjx h SER 26 CO 0.00 -0.58 0.88 0.03 -0.53 0.00 0.00 176.83 176.63 3kjx h ARG 27 N -1.27 0.00 0.01 2.24 2.47 0.25 -1.55 114.38 116.52 3kjx h ARG 27 Ca -0.11 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.19 3kjx h ARG 27 Cb 0.84 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.10 3kjx h ARG 27 CO 0.18 0.00 -2.42 0.28 0.56 0.00 0.00 179.97 178.58 3kjx n VAL 28 N -2.99 1.53 -0.16 2.04 0.31 -1.15 -1.05 118.33 116.85 3kjx n VAL 28 Ca 0.09 -0.46 0.17 0.00 -0.01 0.00 0.00 64.34 64.12 3kjx n VAL 28 Cb 1.02 -1.69 0.52 0.00 -0.91 0.00 0.00 33.84 32.79 3kjx n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kjx h LEU 29 N -0.52 0.36 -3.36 7.52 4.07 -0.26 -2.03 115.31 121.09 3kjx h LEU 29 Ca -0.62 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.22 3kjx h LEU 29 Cb 1.74 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 43.35 3kjx h LEU 29 CO -0.24 0.18 -0.01 -2.11 -1.08 0.00 0.00 178.44 175.18 3kjx n ARG 30 N -4.47 2.21 -3.54 1.13 1.85 -1.14 -4.99 116.66 107.71 3kjx n ARG 30 Ca 0.15 -3.06 -0.25 0.00 -1.00 0.00 0.00 57.85 53.69 3kjx n ARG 30 Cb 0.57 -1.85 0.01 0.00 -1.05 0.00 0.00 32.46 30.15 3kjx n ARG 30 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kjx n ASN 31 N -0.93 -5.67 0.00 2.89 3.02 -0.76 -4.97 115.26 108.84 3kjx n ASN 31 Ca 0.31 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3kjx n ASN 31 Cb 1.03 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 3kjx n ASN 31 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3kjx n ARG 32 N -1.54 0.00 0.00 3.52 0.63 -0.21 -5.03 116.66 114.03 3kjx n ARG 32 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 3kjx n ARG 32 Cb 0.65 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.42 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 2.58 1.07 0.00 5.14 0.00 -1.16 -5.07 105.19 107.75 3kjx n GLY 33 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3kjx n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kjx n ASP 34 N 0.00 0.00 -2.23 1.61 4.64 -1.26 -5.04 116.55 114.27 3kjx n ASP 34 Ca 0.00 0.14 0.00 0.00 -1.38 0.00 0.00 54.79 53.55 3kjx n ASP 34 Cb 0.00 -0.22 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 3kjx n ASP 34 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3kjx n VAL 35 N -1.44 -9.87 -1.26 5.18 0.31 -1.26 -4.87 118.33 105.12 3kjx n VAL 35 Ca 0.00 2.35 -0.38 0.00 -0.01 0.00 0.00 64.34 66.30 3kjx n VAL 35 Cb 0.00 -4.79 0.03 0.00 -0.91 0.00 0.00 33.84 28.17 3kjx n VAL 35 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kjx n SER 36 N 1.89 -3.00 0.00 4.52 3.41 -1.26 -4.59 113.62 114.60 3kjx n SER 36 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3kjx n SER 36 Cb 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3kjx n SER 36 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kjx n ASP 37 N 1.70 0.00 -0.12 4.04 8.00 -1.26 -1.53 116.55 127.38 3kjx n ASP 37 Ca 0.08 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.61 3kjx n ASP 37 Cb 0.49 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 3kjx n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kjx n ALA 38 N -1.15 1.47 0.20 2.24 0.00 -1.26 -4.07 120.51 117.94 3kjx n ALA 38 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.39 3kjx n ALA 38 Cb 0.03 -0.10 0.33 0.00 0.00 0.00 0.00 19.45 19.70 3kjx n ALA 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kjx h THR 39 N 0.00 0.66 0.04 0.00 2.02 -1.58 -2.55 112.91 111.50 3kjx h THR 39 Ca -0.56 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.19 3kjx h THR 39 Cb 1.95 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 3kjx h THR 39 CO -0.06 0.30 -0.02 0.03 0.37 0.00 0.00 175.52 176.14 3kjx h ARG 40 N 0.00 -0.05 -0.09 6.66 2.47 -1.66 -2.78 114.38 118.93 3kjx h ARG 40 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kjx h ARG 40 Cb 0.93 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3kjx h ARG 40 CO 0.04 -0.04 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3kjx n ALA 41 N -2.04 1.78 -0.09 0.04 0.00 -1.24 -2.53 120.51 116.42 3kjx n ALA 41 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 3kjx n ALA 41 Cb 0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3kjx n ALA 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kjx h ARG 42 N 0.16 0.00 0.18 0.00 2.43 -1.18 -3.30 114.38 112.67 3kjx h ARG 42 Ca 0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 3kjx h ARG 42 Cb 0.04 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3kjx h ARG 42 CO 0.00 0.65 -1.50 -0.39 -1.51 0.00 0.00 179.97 177.22 3kjx h VAL 43 N -1.00 1.23 -0.32 0.20 -1.51 -1.36 -2.99 116.25 110.51 3kjx h VAL 43 Ca -0.21 -2.77 0.04 0.00 -1.23 0.00 0.00 66.70 62.53 3kjx h VAL 43 Cb 0.99 2.89 -0.04 0.00 -2.13 0.00 0.00 31.29 33.01 3kjx h VAL 43 CO -0.13 0.84 0.07 -0.07 -1.23 0.00 0.00 177.57 177.05 3kjx h LEU 44 N 0.10 0.03 -1.33 4.19 3.38 -1.72 0.16 115.31 120.13 3kjx h LEU 44 Ca -0.24 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kjx h LEU 44 Cb 2.08 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 3kjx h LEU 44 CO 0.21 0.05 -0.04 0.00 0.09 0.00 0.00 178.44 178.76 3kjx h ALA 45 N 1.23 1.01 0.06 1.53 0.00 -1.68 -0.89 119.26 120.52 3kjx h ALA 45 Ca 0.15 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3kjx h ALA 45 Cb 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kjx h ALA 45 CO -0.19 0.04 -1.09 0.00 0.00 0.00 0.00 179.25 178.01 3kjx h ALA 46 N 1.96 0.20 0.00 0.00 0.00 -0.88 -3.02 119.26 117.53 3kjx h ALA 46 Ca -0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 3kjx h ALA 46 Cb 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kjx h ALA 46 CO 0.00 0.82 -0.65 0.00 0.00 0.00 0.00 179.25 179.43 3kjx h ALA 47 N 0.59 0.58 0.00 0.00 0.00 -0.49 -3.16 119.26 116.79 3kjx h ALA 47 Ca -0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 3kjx h ALA 47 Cb 1.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3kjx h ALA 47 CO 0.19 0.82 -0.30 -0.22 0.00 0.00 0.00 179.25 179.74 3kjx h LYS 48 N 0.00 0.00 0.00 0.00 3.64 -1.18 0.25 116.57 119.28 3kjx h LYS 48 Ca -0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3kjx h LYS 48 Cb 1.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 3kjx h LYS 48 CO 0.08 0.30 -0.90 0.93 -2.27 0.00 0.00 179.45 177.60 3kjx h GLU 49 N 0.00 0.00 0.00 1.90 5.08 -1.50 -3.31 114.58 116.76 3kjx h GLU 49 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 3kjx h GLU 49 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3kjx h GLU 49 CO 0.04 0.90 -1.39 -0.07 -1.00 0.00 0.00 179.01 177.48 3kjx h LEU 50 N 0.00 0.00 0.00 1.33 3.38 -1.41 -3.48 115.31 115.13 3kjx h LEU 50 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kjx h LEU 50 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3kjx h LEU 50 CO 0.12 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.09 3kjx n GLY 51 N 1.44 0.95 3.72 0.83 0.00 0.76 -5.05 105.19 107.84 3kjx n GLY 51 Ca -0.10 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 3.36 -0.13 1.61 5.04 -0.55 -5.01 117.35 119.66 3kjx s TYR 52 Ca 0.00 1.19 0.03 0.00 -2.44 0.00 0.00 57.07 55.84 3kjx s TYR 52 Cb 0.00 -3.53 0.01 0.00 0.35 0.00 0.00 41.96 38.79 3kjx s TYR 52 CO 0.00 -1.70 -0.22 0.08 -1.34 0.00 0.00 175.55 172.37 3kjx s VAL 53 N 0.86 2.04 0.49 3.14 1.01 -1.26 -4.59 120.40 122.08 3kjx s VAL 53 Ca 0.60 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 3kjx s VAL 53 Cb -0.33 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 3kjx s VAL 53 CO 0.31 0.55 0.82 -2.65 0.00 0.00 0.00 175.10 174.13 3kjx n PRO 54 N 4.00 0.94 -2.67 2.72 -0.02 -1.26 -4.90 135.00 133.82 3kjx n PRO 54 Ca -0.20 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 3kjx n PRO 54 Cb 0.52 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 3kjx n PRO 54 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kjx s ASN 55 N -0.98 6.42 0.01 2.55 3.84 -1.26 -4.86 114.94 120.67 3kjx s ASN 55 Ca 0.67 -0.02 0.23 0.00 0.21 0.00 0.00 52.86 53.95 3kjx s ASN 55 Cb -0.51 -2.51 0.09 0.00 -0.55 0.00 0.00 41.25 37.76 3kjx s ASN 55 CO 0.54 -1.38 1.11 0.29 -2.79 0.00 0.00 177.10 174.87 3kjx n LYS 56 N 8.07 0.04 -0.04 0.43 4.76 -1.26 -4.39 118.16 125.78 3kjx n LYS 56 Ca 0.06 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.39 3kjx n LYS 56 Cb 0.49 -1.51 -0.14 0.00 -1.84 0.00 0.00 35.03 32.02 3kjx n LYS 56 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3kjx n ILE 57 N -1.57 1.58 -1.53 -0.18 3.06 -1.26 -4.83 119.36 114.63 3kjx n ILE 57 Ca 0.04 -0.78 -0.37 0.00 -2.50 0.00 0.00 62.75 59.14 3kjx n ILE 57 Cb 0.35 -1.01 -0.09 0.00 0.54 0.00 0.00 39.64 39.42 3kjx n ILE 57 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kjx n ALA 58 N -2.68 0.54 -3.58 1.51 0.00 -1.26 -4.75 120.51 110.29 3kjx n ALA 58 Ca -0.24 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.59 3kjx n ALA 58 Cb 1.07 -2.75 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 10.36 -0.42 0.59 0.00 0.00 -1.26 -5.13 107.32 111.46 3kjx s GLY 59 Ca 1.17 1.20 -0.10 0.00 0.00 0.00 0.00 44.72 46.99 3kjx s GLY 59 CO 0.37 0.29 0.35 0.00 0.00 0.00 0.00 173.10 174.12 3kjx n ALA 60 N -0.37 -2.08 -1.00 3.20 0.00 -1.26 -5.06 120.51 113.93 3kjx n ALA 60 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3kjx n ALA 60 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kjx n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kjx n LEU 61 N 0.00 0.00 -4.22 0.00 4.32 -1.26 -4.74 117.00 111.10 3kjx n LEU 61 Ca 0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.74 3kjx n LEU 61 Cb 0.24 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.33 3kjx n LEU 61 CO 0.16 0.00 0.35 0.00 -1.22 0.00 0.00 177.39 176.68 3kjx n ALA 62 N -3.00 -5.12 0.00 -1.18 0.00 -1.26 -3.48 120.51 106.47 3kjx n ALA 62 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.50 3kjx n ALA 62 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -5.74 0.00 -4.07 0.00 3.41 -1.26 -4.65 113.62 101.31 3kjx n SER 63 Ca 0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.39 3kjx n SER 63 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 3kjx n SER 63 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kjx s ASN 64 N 0.00 5.46 0.38 4.04 2.47 -1.23 -5.07 114.94 120.99 3kjx s ASN 64 Ca 0.00 -3.32 0.08 0.00 0.42 0.00 0.00 52.86 50.04 3kjx s ASN 64 Cb 0.00 -1.85 -0.03 0.00 -1.45 0.00 0.00 41.25 37.92 3kjx s ASN 64 CO 0.00 -0.26 0.30 -0.13 -3.72 0.00 0.00 177.10 173.29 3kjx s ARG 65 N -0.74 2.54 0.55 0.43 0.52 -1.26 -4.40 118.95 116.60 3kjx s ARG 65 Ca 0.22 -1.49 -0.07 0.00 -0.52 0.00 0.00 55.73 53.87 3kjx s ARG 65 Cb -0.14 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 3kjx s ARG 65 CO -0.08 -0.06 0.89 0.14 0.02 0.00 0.00 175.30 176.22 3kjx s VAL 66 N -2.43 4.62 -0.18 3.52 -7.23 -0.85 -4.94 120.40 112.92 3kjx s VAL 66 Ca 0.44 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 3kjx s VAL 66 Cb -0.03 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3kjx s VAL 66 CO 0.26 -0.89 0.84 -0.46 -0.31 0.00 0.00 175.10 174.54 3kjx n ASN 67 N -2.49 2.42 -4.71 4.85 6.94 -1.26 -3.02 115.26 117.99 3kjx n ASN 67 Ca 0.03 -1.83 -0.38 0.00 -0.02 0.00 0.00 54.58 52.37 3kjx n ASN 67 Cb 0.55 -0.46 -0.06 0.00 -2.36 0.00 0.00 39.78 37.45 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 4.26 -0.28 -4.53 0.20 -1.26 0.96 118.68 118.03 3kjx s LEU 68 Ca 0.00 0.85 -0.04 0.00 0.69 0.00 0.00 54.13 55.63 3kjx s LEU 68 Cb 0.00 -2.76 0.02 0.00 -0.43 0.00 0.00 46.19 43.02 3kjx s LEU 68 CO 0.00 -0.06 0.02 -0.69 -0.29 0.00 0.00 176.35 175.33 3kjx s VAL 69 N 0.86 3.48 -0.20 1.68 1.01 -0.11 -0.58 120.40 126.54 3kjx s VAL 69 Ca 0.28 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3kjx s VAL 69 Cb -0.16 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3kjx s VAL 69 CO 0.11 0.11 1.14 0.00 0.00 0.00 0.00 175.10 176.47 3kjx s ALA 70 N 1.42 3.67 -0.35 5.51 0.00 0.52 -1.46 121.76 131.07 3kjx s ALA 70 Ca 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 3kjx s ALA 70 Cb -0.17 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.45 3kjx s ALA 70 CO -0.00 -1.10 0.09 0.08 0.00 0.00 0.00 175.76 174.82 3kjx s VAL 71 N 3.32 3.07 -0.33 0.00 1.01 0.23 0.66 120.40 128.37 3kjx s VAL 71 Ca 0.49 -1.72 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3kjx s VAL 71 Cb -0.18 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3kjx s VAL 71 CO 0.10 -0.38 0.11 -0.63 0.00 0.00 0.00 175.10 174.30 3kjx s ILE 72 N 1.18 3.98 0.20 2.22 1.01 -0.32 0.22 121.20 129.70 3kjx s ILE 72 Ca 0.02 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.79 3kjx s ILE 72 Cb -0.21 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3kjx s ILE 72 CO -0.03 -0.09 -0.07 0.27 0.00 0.00 0.00 174.94 175.02 3kjx s ILE 73 N 1.46 1.30 0.11 2.92 -4.36 -0.29 -1.72 121.20 120.62 3kjx s ILE 73 Ca 0.00 -2.09 -0.08 0.00 -0.26 0.00 0.00 60.65 58.23 3kjx s ILE 73 Cb -0.19 -2.14 -0.20 0.00 1.25 0.00 0.00 42.46 41.18 3kjx s ILE 73 CO 0.03 -0.51 1.26 1.55 0.24 0.00 0.00 174.94 177.51 3kjx h PRO 74 N 2.56 0.52 -2.60 0.37 0.13 -1.93 0.14 132.00 131.19 3kjx h PRO 74 Ca -0.38 -0.56 -0.08 0.00 -0.87 0.00 0.00 66.00 64.11 3kjx h PRO 74 Cb 1.21 0.16 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 3kjx h PRO 74 CO 0.64 1.19 -0.02 0.45 -0.23 0.00 0.00 178.00 180.04 3kjx s SER 75 N -7.17 -0.43 0.00 1.44 0.15 -1.26 -0.77 113.70 105.66 3kjx s SER 75 Ca -0.07 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3kjx s SER 75 Cb 0.08 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3kjx s SER 75 CO 0.89 -0.59 0.48 0.18 1.20 0.00 0.00 173.24 175.40 3kjx n LEU 76 N 0.86 0.96 0.11 3.45 4.77 -1.26 -4.58 117.00 121.32 3kjx n LEU 76 Ca -0.20 -0.97 0.12 0.00 -0.03 0.00 0.00 56.01 54.93 3kjx n LEU 76 Cb 0.58 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.88 3kjx n LEU 76 CO 0.22 0.24 0.54 0.28 -1.33 0.00 0.00 177.39 177.34 3kjx h SER 77 N 0.00 0.00 0.00 -1.43 0.02 -2.01 -3.46 113.55 106.67 3kjx h SER 77 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3kjx h SER 77 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3kjx h SER 77 CO 0.00 0.04 0.00 -0.46 -1.14 0.00 0.00 176.83 175.27 3kjx n ASN 78 N -2.46 0.00 0.00 3.07 0.23 -1.26 -5.03 115.26 109.81 3kjx n ASN 78 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 3kjx n ASN 78 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 -4.82 118.33 116.32 3kjx n VAL 80 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3kjx n VAL 80 Cb 0.00 0.00 0.57 0.00 -0.91 0.00 0.00 33.84 33.50 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 -0.57 3.52 0.04 -1.95 -2.82 116.94 115.15 3kjx h PHE 81 Ca 0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3kjx h PHE 81 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3kjx h PHE 81 CO 0.00 0.21 0.38 -1.35 -0.60 0.00 0.00 178.31 176.95 3kjx h PRO 82 N 0.00 0.43 -0.04 1.51 0.11 -1.87 0.10 132.00 132.24 3kjx h PRO 82 Ca -0.00 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.87 3kjx h PRO 82 Cb 0.48 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3kjx h PRO 82 CO 0.03 0.29 -0.86 1.49 -0.21 0.00 0.00 178.00 178.73 3kjx h GLU 83 N 0.45 0.49 -0.27 1.05 4.57 -1.87 -2.36 114.58 116.63 3kjx h GLU 83 Ca 0.26 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 3kjx h GLU 83 Cb 0.44 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3kjx h GLU 83 CO -0.07 1.10 0.09 0.28 -1.18 0.00 0.00 179.01 179.24 3kjx h VAL 84 N 0.30 1.19 -0.34 0.32 2.07 -1.06 -1.52 116.25 117.21 3kjx h VAL 84 Ca -0.07 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3kjx h VAL 84 Cb 1.48 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3kjx h VAL 84 CO 0.16 0.20 0.01 0.25 0.02 0.00 0.00 177.57 178.21 3kjx h LEU 85 N 0.28 0.48 -0.95 2.57 5.85 -0.90 -0.68 115.31 121.96 3kjx h LEU 85 Ca 0.09 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3kjx h LEU 85 Cb 0.22 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3kjx h LEU 85 CO -0.00 0.54 0.11 0.74 -0.34 0.00 0.00 178.44 179.49 3kjx h THR 86 N 0.50 1.24 -0.21 1.05 2.02 -0.99 -0.06 112.91 116.46 3kjx h THR 86 Ca 0.11 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 3kjx h THR 86 Cb 0.31 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3kjx h THR 86 CO 0.01 0.33 -0.06 1.23 0.37 0.00 0.00 175.52 177.39 3kjx h GLY 87 N 0.99 0.44 0.47 2.16 0.00 -0.39 -2.50 103.07 104.25 3kjx h GLY 87 Ca 0.18 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.22 3kjx h GLY 87 CO 0.00 0.34 0.20 -2.22 0.00 0.00 0.00 176.54 174.85 3kjx h ILE 88 N 0.12 0.81 -0.02 2.60 2.04 -0.72 -2.83 117.51 119.50 3kjx h ILE 88 Ca 0.05 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kjx h ILE 88 Cb 0.52 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3kjx h ILE 88 CO 0.02 0.07 0.01 0.78 0.00 0.00 0.00 178.15 179.03 3kjx h ASN 89 N 0.38 0.03 -0.68 1.72 -0.26 -0.92 -2.25 115.58 113.60 3kjx h ASN 89 Ca 0.26 -0.07 0.14 0.00 -0.56 0.00 0.00 56.30 56.07 3kjx h ASN 89 Cb 0.30 -0.01 -0.12 0.00 -1.06 0.00 0.00 38.32 37.43 3kjx h ASN 89 CO -0.27 0.10 -0.09 1.56 -1.06 0.00 0.00 177.43 177.67 3kjx h GLN 90 N -0.04 0.05 -0.14 0.81 4.20 -1.21 1.13 115.11 119.91 3kjx h GLN 90 Ca 0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3kjx h GLN 90 Cb 0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3kjx h GLN 90 CO -0.00 0.03 0.00 0.28 -0.67 0.00 0.00 178.83 178.47 3kjx h VAL 91 N 0.05 1.25 -0.00 -0.54 2.07 -1.43 -3.06 116.25 114.59 3kjx h VAL 91 Ca 0.34 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kjx h VAL 91 Cb 0.56 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3kjx h VAL 91 CO -0.65 0.24 -0.04 0.18 0.02 0.00 0.00 177.57 177.32 3kjx n LEU 92 N -4.77 0.05 0.31 2.57 4.77 -0.86 -3.58 117.00 115.48 3kjx n LEU 92 Ca -0.05 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.52 3kjx n LEU 92 Cb 0.21 -0.46 0.76 0.00 -2.33 0.00 0.00 43.42 41.59 3kjx n LEU 92 CO 0.36 0.01 1.12 -0.33 -1.33 0.00 0.00 177.39 177.22 3kjx h GLU 93 N 0.01 0.00 -4.61 3.23 4.39 0.14 -3.02 114.58 114.72 3kjx h GLU 93 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 3kjx h GLU 93 Cb 0.49 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3kjx h GLU 93 CO 0.00 0.00 2.30 -0.25 -1.16 0.00 0.00 179.01 179.90 3kjx n ASP 94 N -2.94 3.06 0.00 1.42 9.92 -1.23 -4.80 116.55 121.97 3kjx n ASP 94 Ca -0.01 -2.73 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 3kjx n ASP 94 Cb 0.44 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 3kjx n ASP 94 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 3kjx n THR 95 N 6.09 0.00 0.16 -3.53 5.66 -1.14 -4.61 114.28 116.91 3kjx n THR 95 Ca 0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 3kjx n THR 95 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 3kjx n THR 95 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3kjx n GLU 96 N 0.00 0.00 -4.15 1.09 4.07 -1.26 -5.13 120.64 115.27 3kjx n GLU 96 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 3kjx n GLU 96 Cb 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 3kjx n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3kjx s LEU 97 N -6.24 3.51 -0.32 4.31 1.43 -1.26 -4.86 118.68 115.24 3kjx s LEU 97 Ca 0.00 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3kjx s LEU 97 Cb 0.00 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 44.07 3kjx s LEU 97 CO 0.00 0.19 0.04 -1.58 0.23 0.00 0.00 176.35 175.23 3kjx s GLN 98 N -2.19 2.46 0.33 1.70 2.00 0.27 -4.85 119.66 119.38 3kjx s GLN 98 Ca 0.25 -1.28 -0.28 0.00 -2.00 0.00 0.00 55.36 52.06 3kjx s GLN 98 Cb -0.12 -3.29 -0.09 0.00 0.80 0.00 0.00 33.01 30.31 3kjx s GLN 98 CO 0.17 -0.66 1.16 -2.14 -0.50 0.00 0.00 175.29 173.33 3kjx s PRO 99 N 1.29 4.38 -0.01 1.67 0.02 -1.26 -0.93 135.00 140.15 3kjx s PRO 99 Ca -0.03 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 3kjx s PRO 99 Cb -0.20 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.36 3kjx s PRO 99 CO -0.00 -0.06 0.03 0.14 -0.33 0.00 0.00 177.00 176.78 3kjx s VAL 100 N -1.26 -0.00 -0.11 3.83 -7.23 -0.53 -4.88 120.40 110.21 3kjx s VAL 100 Ca 0.50 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.63 3kjx s VAL 100 Cb -0.33 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 3kjx s VAL 100 CO 0.42 0.01 0.10 -0.69 -0.31 0.00 0.00 175.10 174.63 3kjx s VAL 101 N 0.11 5.14 -0.05 1.32 1.01 -1.26 -0.60 120.40 126.07 3kjx s VAL 101 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3kjx s VAL 101 Cb -0.01 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3kjx s VAL 101 CO -0.00 0.61 -0.15 -0.83 0.00 0.00 0.00 175.10 174.72 3kjx s GLY 102 N -1.01 0.86 -0.16 4.51 0.00 0.13 -4.95 107.32 106.71 3kjx s GLY 102 Ca 0.15 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 3kjx s GLY 102 CO 0.04 -0.16 0.02 0.14 0.00 0.00 0.00 173.10 173.13 3kjx s VAL 103 N 0.29 4.39 -0.45 1.40 1.01 -1.26 -1.14 120.40 124.65 3kjx s VAL 103 Ca -0.08 -0.18 0.17 0.00 0.00 0.00 0.00 61.98 61.89 3kjx s VAL 103 Cb -0.13 -2.95 -0.22 0.00 0.00 0.00 0.00 36.38 33.08 3kjx s VAL 103 CO 0.03 0.49 0.57 0.35 0.00 0.00 0.00 175.10 176.54 3kjx n THR 104 N 3.37 0.00 -2.10 3.92 -2.24 0.04 -4.96 114.28 112.32 3kjx n THR 104 Ca -0.17 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 3kjx n THR 104 Cb 0.52 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.72 -5.67 0.00 3.42 8.00 0.05 -2.14 116.55 118.49 3kjx n ASP 105 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3kjx n ASP 105 Cb 0.35 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 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 -3.43 0.00 -2.99 1.24 4.01 -1.25 -4.98 117.16 109.76 3kjx n TYR 106 Ca -0.23 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.10 3kjx n TYR 106 Cb 0.68 -0.77 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 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 4.09 0.27 7.72 1.43 -0.91 -4.86 118.68 126.42 3kjx s LEU 107 Ca 0.00 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3kjx s LEU 107 Cb 0.00 -3.01 0.56 0.00 0.03 0.00 0.00 46.19 43.77 3kjx s LEU 107 CO 0.00 -0.53 1.76 -0.65 0.23 0.00 0.00 176.35 177.16 3kjx h PRO 108 N 8.01 0.61 -0.72 1.29 0.11 -1.93 -0.77 132.00 138.59 3kjx h PRO 108 Ca -0.25 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.84 3kjx h PRO 108 Cb 1.10 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3kjx h PRO 108 CO 0.85 0.40 0.48 1.05 -0.21 0.00 0.00 178.00 180.57 3kjx h GLU 109 N 0.62 0.94 0.00 1.05 4.11 -1.94 -1.56 114.58 117.80 3kjx h GLU 109 Ca 0.48 -0.06 -0.17 0.00 0.07 0.00 0.00 59.36 59.68 3kjx h GLU 109 Cb 0.69 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3kjx h GLU 109 CO -0.37 0.62 -0.82 -0.22 0.07 0.00 0.00 179.01 178.28 3kjx h LYS 110 N 0.97 0.00 -0.70 1.06 3.64 -1.55 -2.31 116.57 117.68 3kjx h LYS 110 Ca 0.27 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3kjx h LYS 110 Cb -0.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3kjx h LYS 110 CO -0.07 0.82 0.19 1.49 -2.27 0.00 0.00 179.45 179.62 3kjx h GLU 111 N 0.00 1.10 -0.27 1.90 4.81 -0.90 -0.47 114.58 120.75 3kjx h GLU 111 Ca -0.01 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3kjx h GLU 111 Cb 1.52 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 3kjx h GLU 111 CO 0.11 0.96 0.06 1.49 -0.73 0.00 0.00 179.01 180.90 3kjx h GLU 112 N 1.05 0.43 -0.30 1.92 4.81 -1.18 -1.93 114.58 119.37 3kjx h GLU 112 Ca 0.22 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3kjx h GLU 112 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3kjx h GLU 112 CO -0.00 0.52 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.34 3kjx h LYS 113 N 0.26 0.59 -0.12 1.92 3.11 -1.18 -2.44 116.57 118.71 3kjx h LYS 113 Ca 0.08 -0.23 -0.17 0.00 -2.81 0.00 0.00 60.65 57.52 3kjx h LYS 113 Cb 0.29 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.49 3kjx h LYS 113 CO 0.00 0.79 -0.59 0.28 -2.81 0.00 0.00 179.45 177.12 3kjx h VAL 114 N 0.52 1.34 -0.57 2.00 2.07 -1.04 -2.73 116.25 117.85 3kjx h VAL 114 Ca 0.07 -1.87 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 3kjx h VAL 114 Cb 0.70 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3kjx h VAL 114 CO 0.05 0.57 0.03 0.25 0.02 0.00 0.00 177.57 178.50 3kjx h LEU 115 N 0.26 0.92 0.11 2.57 5.85 -1.37 -2.95 115.31 120.71 3kjx h LEU 115 Ca -0.04 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3kjx h LEU 115 Cb 1.23 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3kjx h LEU 115 CO 0.12 0.96 -0.08 0.22 -0.34 0.00 0.00 178.44 179.32 3kjx h TYR 116 N 0.88 -0.20 0.00 1.25 3.20 -1.47 0.41 116.97 121.05 3kjx h TYR 116 Ca 0.17 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3kjx h TYR 116 Cb 0.47 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3kjx h TYR 116 CO 0.03 -0.12 0.00 0.39 -1.64 0.00 0.00 178.16 176.82 3kjx n GLU 117 N -5.19 0.00 0.00 1.82 -0.58 -1.03 -1.44 120.64 114.23 3kjx n GLU 117 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3kjx n GLU 117 Cb 0.11 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.30 0.00 0.07 -4.62 4.77 0.13 -3.21 117.00 114.45 3kjx n LEU 119 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3kjx n LEU 119 Cb 0.00 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 3kjx n LEU 119 CO 0.00 0.00 0.78 -1.54 -1.33 0.00 0.00 177.39 175.30 3kjx n SER 120 N 0.00 0.35 -0.42 -1.43 3.41 -0.52 -1.21 113.62 113.81 3kjx n SER 120 Ca 0.00 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 3kjx n SER 120 Cb 0.00 -0.67 0.38 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.90 0.00 -3.21 7.33 8.01 -1.20 -4.99 117.44 121.48 3kjx n TRP 121 Ca 0.02 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.11 3kjx n TRP 121 Cb 0.18 -0.05 0.04 0.00 -2.01 0.00 0.00 31.31 29.46 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 -0.12 -1.75 -1.37 -0.99 5.12 -0.35 -4.58 116.66 112.63 3kjx n ARG 122 Ca 0.15 1.11 -0.29 0.00 -1.93 0.00 0.00 57.85 56.89 3kjx n ARG 122 Cb 0.38 -5.58 0.18 0.00 -1.16 0.00 0.00 32.46 26.28 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 -3.91 0.29 -0.04 5.56 0.04 -1.26 -2.00 135.00 133.68 3kjx s PRO 123 Ca 0.25 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.49 3kjx s PRO 123 Cb -0.04 -1.75 -0.25 0.00 0.04 0.00 0.00 34.50 32.50 3kjx s PRO 123 CO 0.76 -2.75 0.67 0.77 0.04 0.00 0.00 177.00 176.49 3kjx h SER 124 N -1.90 0.24 -5.13 6.66 0.02 -0.75 -3.43 113.55 109.26 3kjx h SER 124 Ca -0.50 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 59.98 3kjx h SER 124 Cb 1.31 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.67 3kjx h SER 124 CO 0.52 1.38 -0.07 -0.83 -1.14 0.00 0.00 176.83 176.68 3kjx s GLY 125 N -5.17 0.04 -0.05 -3.77 0.00 -1.23 -4.31 107.32 92.81 3kjx s GLY 125 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3kjx s GLY 125 CO 0.82 -0.42 -0.04 0.14 0.00 0.00 0.00 173.10 173.60 3kjx s VAL 126 N -3.89 0.52 -0.24 1.40 1.01 -0.87 -0.35 120.40 117.98 3kjx s VAL 126 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3kjx s VAL 126 Cb 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.83 3kjx s VAL 126 CO -0.03 0.24 -0.09 -0.63 0.00 0.00 0.00 175.10 174.59 3kjx s ILE 127 N 1.22 2.65 0.04 2.22 1.01 0.21 -0.46 121.20 128.09 3kjx s ILE 127 Ca -0.06 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.52 3kjx s ILE 127 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3kjx s ILE 127 CO -0.02 0.20 -0.17 -0.51 0.00 0.00 0.00 174.94 174.45 3kjx s ILE 128 N 1.28 1.34 0.07 2.92 2.07 0.03 -1.17 121.20 127.74 3kjx s ILE 128 Ca -0.01 -1.06 -0.29 0.00 -1.41 0.00 0.00 60.65 57.88 3kjx s ILE 128 Cb -0.17 -1.19 -0.05 0.00 0.13 0.00 0.00 42.46 41.19 3kjx s ILE 128 CO -0.06 0.10 0.93 0.00 -1.91 0.00 0.00 174.94 174.01 3kjx s ALA 129 N -0.80 3.24 0.00 1.50 0.00 -0.70 -0.01 121.76 124.99 3kjx s ALA 129 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3kjx s ALA 129 Cb -0.08 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3kjx s ALA 129 CO 0.01 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3kjx n GLY 130 N 2.48 -1.37 0.19 0.00 0.00 -0.27 -4.82 105.19 101.39 3kjx n GLY 130 Ca 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.93 1.27 -4.63 0.99 4.77 -1.26 -4.56 117.00 111.66 3kjx n LEU 131 Ca 0.00 -0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 54.71 3kjx n LEU 131 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3kjx n LEU 131 CO 0.00 0.27 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.49 3kjx s GLU 132 N -0.65 3.98 0.15 3.23 8.01 -1.26 -4.92 118.70 127.24 3kjx s GLU 132 Ca 0.06 -0.33 -0.08 0.00 0.01 0.00 0.00 54.97 54.63 3kjx s GLU 132 Cb 0.05 -3.31 -0.01 0.00 -4.31 0.00 0.00 34.13 26.54 3kjx s GLU 132 CO 0.10 0.18 0.24 -1.01 0.01 0.00 0.00 175.26 174.77 3kjx s HIS 133 N 0.66 0.45 0.87 1.61 3.76 -1.26 -5.07 115.29 116.31 3kjx s HIS 133 Ca 0.05 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.02 3kjx s HIS 133 Cb -0.13 -0.12 0.12 0.00 1.11 0.00 0.00 32.58 33.55 3kjx s HIS 133 CO 0.01 -0.67 1.10 -1.54 -0.85 0.00 0.00 174.74 172.79 3kjx s SER 134 N -2.97 3.73 0.18 1.40 1.04 -1.26 -4.76 113.70 111.06 3kjx s SER 134 Ca 0.17 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.83 3kjx s SER 134 Cb 0.04 -2.06 0.09 0.00 0.10 0.00 0.00 66.02 64.20 3kjx s SER 134 CO -0.01 -2.46 1.83 -0.08 0.98 0.00 0.00 173.24 173.51 3kjx h GLU 135 N -1.43 0.69 -0.60 4.02 4.81 -1.99 0.10 114.58 120.18 3kjx h GLU 135 Ca -0.49 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 3kjx h GLU 135 Cb 1.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3kjx h GLU 135 CO 0.57 0.45 0.06 0.00 -0.73 0.00 0.00 179.01 179.36 3kjx h ALA 136 N 1.22 0.97 -0.34 2.92 0.00 -1.99 -1.93 119.26 120.10 3kjx h ALA 136 Ca 0.21 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3kjx h ALA 136 Cb -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kjx h ALA 136 CO -0.07 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 3kjx h ALA 137 N 1.12 0.50 -0.68 0.00 0.00 -1.81 -3.05 119.26 115.35 3kjx h ALA 137 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kjx h ALA 137 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kjx h ALA 137 CO 0.02 0.60 0.32 -0.09 0.00 0.00 0.00 179.25 180.09 3kjx h ARG 138 N 0.65 0.99 -1.18 0.00 2.43 -0.90 -2.10 114.38 114.26 3kjx h ARG 138 Ca 0.05 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3kjx h ARG 138 Cb 0.97 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3kjx h ARG 138 CO 0.09 0.79 0.00 0.00 -1.51 0.00 0.00 179.97 179.34 3kjx n ALA 139 N -2.37 1.26 0.00 2.80 0.00 -0.73 -1.42 120.51 120.04 3kjx n ALA 139 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kjx n ALA 139 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.79 0.00 0.11 0.00 4.77 -0.79 -1.33 117.00 120.54 3kjx n LEU 141 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3kjx n LEU 141 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3kjx n LEU 141 CO 0.00 0.00 -0.09 0.44 -1.33 0.00 0.00 177.39 176.41 3kjx h ASP 142 N 0.00 0.81 -0.09 -1.43 3.32 -1.52 -3.31 116.42 114.20 3kjx h ASP 142 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.27 3kjx h ASP 142 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3kjx h ASP 142 CO 0.00 1.59 0.00 0.00 -1.72 0.00 0.00 179.24 179.11 3kjx n ALA 143 N -2.67 2.56 -2.66 3.45 0.00 -0.44 -4.85 120.51 115.91 3kjx n ALA 143 Ca -0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 3kjx n ALA 143 Cb 1.01 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 3kjx n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjx s ALA 144 N -1.90 3.36 -0.34 0.00 0.00 -1.25 -4.89 121.76 116.75 3kjx s ALA 144 Ca 0.35 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3kjx s ALA 144 Cb 0.18 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.98 3kjx s ALA 144 CO 0.29 -0.54 0.98 0.41 0.00 0.00 0.00 175.76 176.89 3kjx n GLY 145 N 3.09 2.13 3.39 0.00 0.00 -1.26 -4.81 105.19 107.73 3kjx n GLY 145 Ca 0.08 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.71 1.72 0.39 -0.61 -4.36 -1.26 -5.01 121.20 111.36 3kjx s ILE 146 Ca 0.08 -2.18 -0.27 0.00 -0.26 0.00 0.00 60.65 58.02 3kjx s ILE 146 Cb 0.06 -2.25 -0.09 0.00 1.25 0.00 0.00 42.46 41.43 3kjx s ILE 146 CO 0.02 -0.44 1.30 -2.16 0.24 0.00 0.00 174.94 173.89 3kjx s PRO 147 N -3.68 4.06 -0.08 0.37 0.04 -1.26 -4.92 135.00 129.53 3kjx s PRO 147 Ca 0.26 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.47 3kjx s PRO 147 Cb 0.01 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.75 3kjx s PRO 147 CO 0.10 -0.41 -0.11 0.08 0.04 0.00 0.00 177.00 176.69 3kjx s VAL 148 N -1.24 1.14 -0.25 -0.36 1.01 -1.26 -2.05 120.40 117.39 3kjx s VAL 148 Ca 0.55 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3kjx s VAL 148 Cb -0.38 -1.07 0.06 0.00 0.00 0.00 0.00 36.38 34.99 3kjx s VAL 148 CO 0.49 0.36 -0.11 -0.69 0.00 0.00 0.00 175.10 175.16 3kjx s VAL 149 N 0.95 2.10 -0.16 2.92 1.01 0.39 -0.60 120.40 127.02 3kjx s VAL 149 Ca -0.09 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 3kjx s VAL 149 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3kjx s VAL 149 CO 0.00 -0.01 0.80 -1.61 0.00 0.00 0.00 175.10 174.28 3kjx s GLU 150 N 1.14 4.31 -0.57 2.72 2.02 -0.62 -0.79 118.70 126.92 3kjx s GLU 150 Ca -0.08 0.97 -0.02 0.00 0.02 0.00 0.00 54.97 55.85 3kjx s GLU 150 Cb -0.20 -3.56 0.15 0.00 0.10 0.00 0.00 34.13 30.62 3kjx s GLU 150 CO -0.05 -0.26 0.37 0.96 0.02 0.00 0.00 175.26 176.29 3kjx s ILE 151 N 1.93 3.54 0.13 -1.63 -4.36 0.98 -1.94 121.20 119.85 3kjx s ILE 151 Ca 0.37 -2.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.01 3kjx s ILE 151 Cb -0.17 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.20 3kjx s ILE 151 CO 0.13 -0.83 0.00 -0.67 0.24 0.00 0.00 174.94 173.82 3kjx n ASP 153 N 3.74 -2.68 -0.70 4.36 2.03 -1.26 -1.12 116.55 120.92 3kjx n ASP 153 Ca 0.05 0.86 0.05 0.00 0.52 0.00 0.00 54.79 56.27 3kjx n ASP 153 Cb 0.38 -2.57 0.19 0.00 -0.72 0.00 0.00 41.12 38.41 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 0.00 1.79 -3.42 1.67 3.41 -0.66 -4.65 113.62 111.76 3kjx n SER 154 Ca 0.00 -3.81 -0.38 0.00 -0.26 0.00 0.00 58.87 54.42 3kjx n SER 154 Cb 0.00 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.03 6.68 0.00 4.04 8.00 -1.26 -4.82 116.55 128.15 3kjx n ASP 155 Ca 0.19 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.99 3kjx n ASP 155 Cb 0.72 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3kjx n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kjx n GLY 156 N -0.14 -0.60 3.24 0.44 0.00 -1.26 -5.07 105.19 101.81 3kjx n GLY 156 Ca 0.44 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3kjx n GLY 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kjx s LYS 157 N -0.16 2.67 0.54 1.61 2.20 -1.26 -5.10 119.74 120.25 3kjx s LYS 157 Ca 0.00 -1.12 -0.18 0.00 -0.36 0.00 0.00 55.97 54.31 3kjx s LYS 157 Cb 0.00 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.98 3kjx s LYS 157 CO 0.00 -0.57 1.06 -1.25 -0.36 0.00 0.00 175.35 174.23 3kjx s PRO 158 N 1.36 3.52 -0.02 4.03 0.04 -1.26 -4.98 135.00 137.68 3kjx s PRO 158 Ca -0.02 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 3kjx s PRO 158 Cb -0.19 -2.05 -0.16 0.00 0.04 0.00 0.00 34.50 32.13 3kjx s PRO 158 CO 0.00 -0.66 1.09 0.28 0.04 0.00 0.00 177.00 177.75 3kjx h VAL 159 N 0.99 0.81 0.00 -0.36 2.07 -1.97 -3.47 116.25 114.32 3kjx h VAL 159 Ca -0.48 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3kjx h VAL 159 Cb 1.23 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3kjx h VAL 159 CO 0.58 0.17 0.00 -0.67 0.02 0.00 0.00 177.57 177.67 3kjx n ASP 160 N -5.02 0.00 -3.26 0.57 4.64 -1.26 -5.04 116.55 107.18 3kjx n ASP 160 Ca -0.09 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.23 3kjx n ASP 160 Cb 0.26 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.38 3kjx n ASP 160 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kjx n ALA 161 N -2.61 0.37 0.00 -1.67 0.00 0.23 -4.79 120.51 112.04 3kjx n ALA 161 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3kjx n ALA 161 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.76 0.00 -2.85 0.00 0.31 -0.82 -1.58 118.33 111.62 3kjx n VAL 163 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3kjx n VAL 163 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 1.42 3.38 2.92 0.00 -0.97 -4.21 105.19 107.72 3kjx n GLY 164 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.36 1.29 -0.40 -0.61 -5.25 -1.26 -0.20 121.20 112.41 3kjx s ILE 165 Ca 0.00 -2.06 -0.20 0.00 -0.99 0.00 0.00 60.65 57.40 3kjx s ILE 165 Cb 0.00 -2.44 0.01 0.00 2.95 0.00 0.00 42.46 42.98 3kjx s ILE 165 CO 0.00 -0.27 0.58 -0.55 -1.79 0.00 0.00 174.94 172.91 3kjx s SER 166 N -3.38 6.32 0.43 4.36 0.15 -1.26 -1.66 113.70 118.66 3kjx s SER 166 Ca 0.30 -0.23 0.23 0.00 0.70 0.00 0.00 55.95 56.95 3kjx s SER 166 Cb 0.05 -2.29 0.85 0.00 -1.71 0.00 0.00 66.02 62.92 3kjx s SER 166 CO 0.11 -0.65 1.80 0.45 1.20 0.00 0.00 173.24 176.15 3kjx h HIS 167 N 8.68 0.00 -0.03 3.44 -0.00 -1.94 -1.73 115.15 123.58 3kjx h HIS 167 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3kjx h HIS 167 Cb 1.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3kjx h HIS 167 CO 0.72 0.24 0.01 -0.09 -0.00 0.00 0.00 177.93 178.81 3kjx h ARG 168 N 0.00 0.05 0.04 2.45 9.65 -1.91 -2.27 114.38 122.39 3kjx h ARG 168 Ca -0.00 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3kjx h ARG 168 Cb 0.80 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 3kjx h ARG 168 CO 0.03 0.23 -0.02 -0.09 2.80 0.00 0.00 179.97 182.92 3kjx h ARG 169 N -0.13 -0.05 -0.80 0.20 2.43 -1.85 -1.99 114.38 112.19 3kjx h ARG 169 Ca 0.01 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.37 3kjx h ARG 169 Cb 0.19 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.62 3kjx h ARG 169 CO -0.00 -0.01 0.02 0.00 -1.51 0.00 0.00 179.97 178.47 3kjx h ALA 170 N 0.89 0.86 -0.19 2.80 0.00 -1.19 0.10 119.26 122.52 3kjx h ALA 170 Ca -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kjx h ALA 170 Cb 0.06 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kjx h ALA 170 CO 0.01 -0.44 0.03 0.78 0.00 0.00 0.00 179.25 179.63 3kjx h GLY 171 N 0.10 0.35 0.95 0.00 0.00 -1.02 -3.25 103.07 100.20 3kjx h GLY 171 Ca 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3kjx h GLY 171 CO -0.70 0.22 -0.13 3.21 0.00 0.00 0.00 176.54 179.14 3kjx h ARG 172 N 0.11 -0.31 -0.23 4.80 3.08 -0.48 -1.77 114.38 119.58 3kjx h ARG 172 Ca 0.06 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3kjx h ARG 172 Cb 0.32 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kjx h ARG 172 CO 0.00 -0.21 0.00 0.39 -1.07 0.00 0.00 179.97 179.08 3kjx n GLU 173 N -5.24 0.00 0.00 0.04 -0.58 0.23 -0.84 120.64 114.25 3kjx n GLU 173 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3kjx n GLU 173 Cb 0.16 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.43 0.00 -0.13 0.62 0.00 -0.67 -1.41 120.51 119.35 3kjx n ALA 175 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3kjx n ALA 175 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.63 -0.35 0.00 4.20 -1.25 -0.87 115.11 117.47 3kjx h GLN 176 Ca 0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3kjx h GLN 176 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3kjx h GLN 176 CO 0.00 0.69 0.01 0.00 -0.67 0.00 0.00 178.83 178.86 3kjx h ALA 177 N 0.92 1.37 -0.15 3.87 0.00 -1.50 0.17 119.26 123.93 3kjx h ALA 177 Ca 0.12 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 3kjx h ALA 177 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kjx h ALA 177 CO 0.01 0.44 -0.72 0.82 0.00 0.00 0.00 179.25 179.79 3kjx h ILE 178 N 0.52 1.31 -0.33 0.00 2.04 -1.79 0.11 117.51 119.37 3kjx h ILE 178 Ca 0.11 -1.98 -0.11 0.00 1.00 0.00 0.00 64.86 63.89 3kjx h ILE 178 Cb 0.32 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3kjx h ILE 178 CO 0.01 0.62 -0.23 -0.07 0.00 0.00 0.00 178.15 178.47 3kjx h LEU 179 N 0.48 0.77 -0.32 1.44 3.38 -0.75 -1.80 115.31 118.52 3kjx h LEU 179 Ca -0.04 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kjx h LEU 179 Cb 1.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3kjx h LEU 179 CO 0.14 1.05 0.19 0.50 0.09 0.00 0.00 178.44 180.41 3kjx h LYS 180 N 0.51 0.44 -0.02 1.13 3.64 -0.61 -1.40 116.57 120.26 3kjx h LYS 180 Ca 0.06 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3kjx h LYS 180 Cb 0.79 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3kjx h LYS 180 CO 0.06 0.34 0.06 0.00 -2.27 0.00 0.00 179.45 177.64 3kjx h ALA 181 N 1.07 1.23 0.00 5.00 0.00 -0.67 -3.46 119.26 122.44 3kjx h ALA 181 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kjx h ALA 181 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kjx h ALA 181 CO -0.02 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3kjx n GLY 182 N -1.18 1.22 3.80 0.00 0.00 -0.53 -4.85 105.19 103.65 3kjx n GLY 182 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3kjx n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kjx s TYR 183 N -2.00 3.67 0.09 1.61 1.51 -0.71 -5.03 117.35 116.49 3kjx s TYR 183 Ca 0.00 1.55 0.02 0.00 -1.01 0.00 0.00 57.07 57.63 3kjx s TYR 183 Cb 0.00 -2.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 3kjx s TYR 183 CO 0.00 0.28 -0.06 1.03 -1.11 0.00 0.00 175.55 175.69 3kjx s ARG 184 N -2.01 0.82 -0.71 -0.62 1.81 -1.26 -4.62 118.95 112.35 3kjx s ARG 184 Ca 0.46 -1.32 -0.01 0.00 -1.72 0.00 0.00 55.73 53.15 3kjx s ARG 184 Cb -0.17 -0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.13 3kjx s ARG 184 CO 0.22 -0.02 0.67 0.54 -0.68 0.00 0.00 175.30 176.03 3kjx n ARG 185 N -0.00 -1.31 0.00 3.54 1.74 -1.26 -3.98 116.66 115.38 3kjx n ARG 185 Ca -0.12 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 3kjx n ARG 185 Cb 0.61 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 3kjx n ARG 185 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kjx n ILE 186 N -1.86 0.00 0.00 0.55 -0.00 -1.26 -2.36 119.36 114.42 3kjx n ILE 186 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 3kjx n ILE 186 Cb 0.51 -0.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 3kjx n ILE 186 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kjx n GLY 187 N 2.32 2.41 1.57 7.39 0.00 -1.24 -4.08 105.19 113.56 3kjx n GLY 187 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 3kjx n GLY 187 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kjx n PHE 188 N 2.06 -0.11 0.00 1.61 7.35 -0.17 -2.34 117.46 125.86 3kjx n PHE 188 Ca 0.00 -1.28 0.00 0.00 -0.76 0.00 0.00 57.45 55.41 3kjx n PHE 188 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.88 3kjx n PHE 188 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kjx n GLY 190 N 0.37 2.86 3.71 7.13 0.00 -0.69 -0.48 105.19 118.09 3kjx n GLY 190 Ca -0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 3kjx n GLY 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjx s THR 191 N -2.00 1.43 -0.08 2.61 -4.23 -1.26 -1.13 115.64 110.98 3kjx s THR 191 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3kjx s THR 191 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3kjx s THR 191 CO 0.00 0.00 0.01 1.17 -0.54 0.00 0.00 174.62 175.26 3kjx n LYS 192 N -1.17 -1.41 0.00 3.99 3.00 0.68 -4.84 118.16 118.41 3kjx n LYS 192 Ca -0.15 1.46 0.00 0.00 -0.00 0.00 0.00 58.31 59.63 3kjx n LYS 192 Cb 0.67 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 33.48 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 1.35 0.00 -0.09 1.64 -0.04 -1.26 -0.56 135.00 136.04 3kjx n PRO 194 Ca -0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 3kjx n PRO 194 Cb 0.32 -1.02 0.17 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.00 0.72 -8.38 1.53 3.38 -1.91 -3.40 115.31 107.24 3kjx h LEU 195 Ca 0.00 -0.18 -0.56 0.00 0.09 0.00 0.00 57.88 57.23 3kjx h LEU 195 Cb 0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3kjx h LEU 195 CO 0.00 0.80 0.93 -0.62 0.09 0.00 0.00 178.44 179.64 3kjx s ASP 196 N -6.67 6.22 0.42 -0.43 -1.08 0.28 -4.90 116.67 110.51 3kjx s ASP 196 Ca -0.09 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 51.61 3kjx s ASP 196 Cb 0.15 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.99 3kjx s ASP 196 CO 0.81 -1.68 1.96 1.88 0.52 0.00 0.00 175.17 178.66 3kjx h TYR 197 N 9.83 0.11 -0.23 -5.34 -1.99 -1.89 -2.84 116.97 114.62 3kjx h TYR 197 Ca -0.28 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.28 3kjx h TYR 197 Cb 1.06 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.76 3kjx h TYR 197 CO 1.07 0.26 -0.49 0.00 -0.00 0.00 0.00 178.16 179.00 3kjx h ARG 198 N 0.10 0.74 -0.73 4.88 3.08 -1.97 -1.89 114.38 118.59 3kjx h ARG 198 Ca 0.02 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3kjx h ARG 198 Cb 0.33 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3kjx h ARG 198 CO 0.02 1.11 0.36 0.00 -1.07 0.00 0.00 179.97 180.39 3kjx h ALA 199 N 0.62 1.25 -0.70 0.04 0.00 -1.91 -0.49 119.26 118.07 3kjx h ALA 199 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3kjx h ALA 199 Cb 1.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3kjx h ALA 199 CO 0.11 0.58 0.18 0.00 0.00 0.00 0.00 179.25 180.12 3kjx h ARG 200 N 1.03 1.12 -0.31 0.00 3.08 -1.42 -1.55 114.38 116.33 3kjx h ARG 200 Ca 0.25 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kjx h ARG 200 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3kjx h ARG 200 CO -0.03 0.98 0.05 0.87 -1.07 0.00 0.00 179.97 180.77 3kjx h LYS 201 N 1.06 0.52 -0.98 0.04 1.57 -0.58 -1.36 116.57 116.84 3kjx h LYS 201 Ca 0.22 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3kjx h LYS 201 Cb 0.35 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 3kjx h LYS 201 CO -0.00 0.61 0.62 0.00 -0.57 0.00 0.00 179.45 180.11 3kjx h ARG 202 N 0.34 1.06 -0.19 3.15 3.08 -0.88 -0.51 114.38 120.44 3kjx h ARG 202 Ca 0.10 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3kjx h ARG 202 Cb 0.34 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kjx h ARG 202 CO 0.01 0.70 -0.24 0.35 -1.07 0.00 0.00 179.97 179.71 3kjx h PHE 203 N 1.09 0.37 -0.16 3.04 3.57 -0.95 -1.66 116.94 122.24 3kjx h PHE 203 Ca 0.44 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.69 3kjx h PHE 203 Cb 0.25 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3kjx h PHE 203 CO -0.01 0.56 -0.62 0.93 -2.23 0.00 0.00 178.31 176.94 3kjx h GLU 204 N 0.31 0.55 -0.25 1.11 5.08 -0.01 -0.50 114.58 120.88 3kjx h GLU 204 Ca 0.05 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3kjx h GLU 204 Cb 0.60 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3kjx h GLU 204 CO 0.04 1.00 0.06 0.78 -1.00 0.00 0.00 179.01 179.90 3kjx h GLY 205 N 1.05 0.42 0.49 -3.84 0.00 -0.89 0.17 103.07 100.48 3kjx h GLY 205 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.07 3kjx h GLY 205 CO 0.12 0.25 -0.34 -2.75 0.00 0.00 0.00 176.54 173.81 3kjx h PHE 206 N 0.23 -0.94 -0.95 5.60 3.57 -1.23 -2.78 116.94 120.45 3kjx h PHE 206 Ca 0.08 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.68 3kjx h PHE 206 Cb 0.27 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 3kjx h PHE 206 CO 0.01 -0.46 0.59 1.15 -2.23 0.00 0.00 178.31 177.37 3kjx h THR 207 N -0.63 1.01 -0.14 4.41 2.02 -0.97 -2.66 112.91 115.95 3kjx h THR 207 Ca 0.01 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kjx h THR 207 Cb 0.62 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3kjx h THR 207 CO -0.15 0.19 0.05 -0.33 0.37 0.00 0.00 175.52 175.65 3kjx h GLU 208 N 1.03 0.12 -0.39 6.66 5.08 -0.69 -2.16 114.58 124.23 3kjx h GLU 208 Ca 0.43 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 3kjx h GLU 208 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kjx h GLU 208 CO -0.21 0.08 -0.01 0.28 -1.00 0.00 0.00 179.01 178.16 3kjx h VAL 209 N 0.13 1.26 -0.34 3.13 2.07 -1.35 -1.67 116.25 119.49 3kjx h VAL 209 Ca 0.06 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3kjx h VAL 209 Cb 0.02 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3kjx h VAL 209 CO -0.05 0.34 0.22 -0.07 0.02 0.00 0.00 177.57 178.03 3kjx h LEU 210 N 0.52 0.37 -0.40 2.57 3.38 -1.41 -1.72 115.31 118.62 3kjx h LEU 210 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kjx h LEU 210 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kjx h LEU 210 CO 0.02 0.27 0.17 1.23 0.09 0.00 0.00 178.44 180.22 3kjx h GLY 211 N 0.44 0.63 0.11 0.83 0.00 -1.17 0.59 103.07 104.52 3kjx h GLY 211 Ca 0.13 -0.34 0.23 0.00 0.00 0.00 0.00 47.33 47.35 3kjx h GLY 211 CO -0.03 0.32 0.63 1.70 0.00 0.00 0.00 176.54 179.16 3kjx h LYS 212 N 0.50 0.40 -0.66 4.80 3.64 -0.94 0.53 116.57 124.84 3kjx h LYS 212 Ca 0.13 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3kjx h LYS 212 Cb 0.17 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3kjx h LYS 212 CO -0.01 0.26 0.05 0.09 -2.27 0.00 0.00 179.45 177.57 3kjx n ASN 213 N -4.55 5.09 -0.79 4.20 3.02 -0.68 -4.92 115.26 116.63 3kjx n ASN 213 Ca 0.22 -2.88 -0.10 0.00 -0.03 0.00 0.00 54.58 51.78 3kjx n ASN 213 Cb 0.77 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.42 1.15 3.70 7.41 0.00 0.19 -5.01 105.19 113.04 3kjx n GLY 214 Ca 0.27 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.30 4.42 -0.11 1.61 1.01 0.20 -4.96 120.40 120.27 3kjx s VAL 215 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3kjx s VAL 215 Cb 0.00 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3kjx s VAL 215 CO 0.00 0.60 -0.22 -1.61 0.00 0.00 0.00 175.10 173.87 3kjx s GLU 216 N -0.85 3.09 0.13 2.72 2.02 -1.26 -2.69 118.70 121.86 3kjx s GLU 216 Ca 0.13 -0.85 -0.34 0.00 0.02 0.00 0.00 54.97 53.92 3kjx s GLU 216 Cb -0.11 -2.36 -0.14 0.00 0.10 0.00 0.00 34.13 31.61 3kjx s GLU 216 CO 0.02 0.15 1.56 -0.89 0.02 0.00 0.00 175.26 176.12 3kjx n ILE 217 N 3.61 0.03 0.09 -1.63 5.41 -1.26 -4.64 119.36 120.98 3kjx n ILE 217 Ca -0.19 -0.01 -0.06 0.00 1.00 0.00 0.00 62.75 63.49 3kjx n ILE 217 Cb 0.53 -1.43 0.05 0.00 -0.71 0.00 0.00 39.64 38.07 3kjx n ILE 217 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kjx h GLU 218 N 5.87 0.17 -2.68 0.38 4.81 -1.87 -3.46 114.58 117.79 3kjx h GLU 218 Ca -0.46 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 58.55 3kjx h GLU 218 Cb 1.27 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 30.51 3kjx h GLU 218 CO 0.87 0.85 0.02 0.34 -0.73 0.00 0.00 179.01 180.36 3kjx s ASP 219 N -6.89 -0.44 -0.10 1.04 -1.08 -1.26 -4.96 116.67 102.98 3kjx s ASP 219 Ca -0.03 0.25 -0.12 0.00 -0.52 0.00 0.00 52.55 52.13 3kjx s ASP 219 Cb 0.11 0.47 0.03 0.00 -1.46 0.00 0.00 42.92 42.07 3kjx s ASP 219 CO 0.81 -0.66 0.33 0.00 0.52 0.00 0.00 175.17 176.16 3kjx s ARG 220 N -2.09 0.47 -0.09 4.34 1.70 -1.26 -1.00 118.95 121.02 3kjx s ARG 220 Ca -0.07 0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.48 3kjx s ARG 220 Cb -0.01 0.22 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 3kjx s ARG 220 CO 0.01 -0.08 -0.07 -2.00 -1.08 0.00 0.00 175.30 172.08 3kjx s GLU 221 N -0.23 1.35 -0.12 3.89 2.56 0.37 -4.96 118.70 121.55 3kjx s GLU 221 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 54.97 54.75 3kjx s GLU 221 Cb -0.03 -1.38 0.00 0.00 2.00 0.00 0.00 34.13 34.72 3kjx s GLU 221 CO 0.01 -0.20 -0.22 -0.06 -0.56 0.00 0.00 175.26 174.24 3kjx s PHE 222 N 1.46 2.64 -0.11 5.30 0.08 -1.26 -1.70 117.98 124.39 3kjx s PHE 222 Ca -0.01 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.92 3kjx s PHE 222 Cb -0.13 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3kjx s PHE 222 CO -0.05 -0.48 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.02 3kjx s TYR 223 N 0.57 2.85 -0.59 0.36 5.04 -0.28 -5.00 117.35 120.30 3kjx s TYR 223 Ca -0.13 -0.35 0.25 0.00 -2.44 0.00 0.00 57.07 54.40 3kjx s TYR 223 Cb -0.17 -1.80 0.50 0.00 0.35 0.00 0.00 41.96 40.85 3kjx s TYR 223 CO 0.04 0.01 1.56 0.66 -1.34 0.00 0.00 175.55 176.47 3kjx h SER 224 N 6.15 0.00 -2.55 4.32 4.64 -1.91 0.33 113.55 124.53 3kjx h SER 224 Ca -0.35 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kjx h SER 224 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kjx h SER 224 CO 0.55 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 3kjx n GLY 225 N 1.25 -0.23 3.82 -0.77 0.00 -1.26 -4.07 105.19 103.93 3kjx n GLY 225 Ca 0.04 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.67 1.80 0.66 -0.02 0.00 -1.26 -0.23 107.32 105.59 3kjx s GLY 226 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.73 3kjx s GLY 226 CO 0.00 0.47 1.12 -0.45 0.00 0.00 0.00 173.10 174.24 3kjx s SER 227 N -3.51 5.10 -0.28 1.64 0.15 -1.26 -4.81 113.70 110.72 3kjx s SER 227 Ca 0.59 2.03 -0.33 0.00 0.70 0.00 0.00 55.95 58.94 3kjx s SER 227 Cb -0.14 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.79 3kjx s SER 227 CO 0.49 -1.64 1.36 0.00 1.20 0.00 0.00 173.24 174.65 3kjx s ALA 228 N -2.29 -2.15 0.13 5.45 0.00 -1.26 -4.96 121.76 116.67 3kjx s ALA 228 Ca 0.68 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 54.35 3kjx s ALA 228 Cb -0.21 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3kjx s ALA 228 CO 0.41 -0.39 1.72 1.25 0.00 0.00 0.00 175.76 178.75 3kjx h LEU 229 N 2.03 0.43 -0.67 0.00 5.85 -1.96 -2.75 115.31 118.25 3kjx h LEU 229 Ca -0.06 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kjx h LEU 229 Cb 1.16 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3kjx h LEU 229 CO 0.21 0.42 0.39 0.00 -0.34 0.00 0.00 178.44 179.12 3kjx h ALA 230 N 1.03 0.88 -0.13 1.25 0.00 -1.96 -1.36 119.26 118.98 3kjx h ALA 230 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kjx h ALA 230 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kjx h ALA 230 CO -0.02 0.11 0.06 -0.22 0.00 0.00 0.00 179.25 179.19 3kjx h LYS 231 N 0.75 0.17 -0.17 0.00 1.63 -1.90 -0.89 116.57 116.16 3kjx h LYS 231 Ca 0.28 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.90 3kjx h LYS 231 Cb 0.10 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3kjx h LYS 231 CO -0.14 0.14 -0.59 0.78 -3.45 0.00 0.00 179.45 176.18 3kjx h GLY 232 N 0.23 0.62 0.74 5.01 0.00 -0.97 -3.18 103.07 105.53 3kjx h GLY 232 Ca 0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 3kjx h GLY 232 CO -0.01 0.68 -0.08 -0.09 0.00 0.00 0.00 176.54 177.04 3kjx h ARG 233 N 0.43 0.31 0.00 4.80 2.43 -0.94 -2.57 114.38 118.84 3kjx h ARG 233 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kjx h ARG 233 Cb 1.15 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3kjx h ARG 233 CO 0.11 0.65 0.00 -1.91 -1.51 0.00 0.00 179.97 177.31 3kjx n GLU 234 N -4.64 0.00 0.00 0.20 2.13 -0.42 -1.63 120.64 116.28 3kjx n GLU 234 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3kjx n GLU 234 Cb 0.30 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.03 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 -0.05 0.00 -0.13 6.31 -1.04 -0.97 -1.59 114.28 116.82 3kjx n THR 236 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3kjx n THR 236 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 3kjx n THR 236 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 3kjx h GLN 237 N 0.00 0.85 -0.39 -2.82 -0.00 -1.55 -1.00 115.11 110.20 3kjx h GLN 237 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 3kjx h GLN 237 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.40 3kjx h GLN 237 CO 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 178.83 179.72 3kjx n ALA 238 N -2.48 1.46 0.00 0.06 0.00 -0.62 -2.26 120.51 116.67 3kjx n ALA 238 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kjx n ALA 238 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.39 0.00 0.08 0.00 4.77 -0.38 -2.02 117.00 119.83 3kjx n LEU 240 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3kjx n LEU 240 Cb 0.08 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3kjx n LEU 240 CO 0.00 0.00 0.32 -0.08 -1.33 0.00 0.00 177.39 176.30 3kjx h GLU 241 N 0.00 0.28 0.01 3.23 4.81 -1.70 -1.35 114.58 119.85 3kjx h GLU 241 Ca 0.00 -0.25 -0.23 0.00 -0.13 0.00 0.00 59.36 58.75 3kjx h GLU 241 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kjx h GLU 241 CO 0.00 0.93 -0.97 -0.09 -0.73 0.00 0.00 179.01 178.15 3kjx h ARG 242 N 0.18 0.42 -2.36 1.92 2.43 -1.68 -3.39 114.38 111.90 3kjx h ARG 242 Ca -0.03 -0.47 -0.58 0.00 -0.81 0.00 0.00 59.98 58.09 3kjx h ARG 242 Cb 1.37 0.14 -0.38 0.00 -0.42 0.00 0.00 29.97 30.67 3kjx h ARG 242 CO 0.12 1.13 -0.96 -1.12 -1.51 0.00 0.00 179.97 177.64 3kjx s SER 243 N -7.10 1.51 0.62 -3.80 0.01 -1.21 -5.01 113.70 98.72 3kjx s SER 243 Ca -0.06 -2.94 0.36 0.00 1.31 0.00 0.00 55.95 54.62 3kjx s SER 243 Cb 0.09 -0.38 2.08 0.00 0.21 0.00 0.00 66.02 68.01 3kjx s SER 243 CO 0.87 -0.18 2.31 1.55 0.41 0.00 0.00 173.24 178.20 3kjx h PRO 244 N 5.78 0.00 -0.62 12.44 0.13 -1.45 -3.18 132.00 145.10 3kjx h PRO 244 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 3kjx h PRO 244 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3kjx h PRO 244 CO 0.35 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.87 3kjx n ASP 245 N -3.53 5.18 -4.77 1.44 8.00 -1.26 -4.98 116.55 116.63 3kjx n ASP 245 Ca -0.03 -2.72 -0.39 0.00 0.71 0.00 0.00 54.79 52.36 3kjx n ASP 245 Cb 0.08 -0.64 -0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3kjx n ASP 245 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kjx s LEU 246 N -2.32 4.12 0.00 0.64 1.43 -1.20 -4.93 118.68 116.42 3kjx s LEU 246 Ca 0.51 2.56 0.10 0.00 -1.03 0.00 0.00 54.13 56.27 3kjx s LEU 246 Cb 0.37 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3kjx s LEU 246 CO 0.18 -0.94 0.60 -0.90 0.23 0.00 0.00 176.35 175.52 3kjx n ASP 247 N -0.17 1.10 -3.72 2.29 5.68 -0.99 -4.78 116.55 115.95 3kjx n ASP 247 Ca 0.05 -1.05 -0.12 0.00 -0.50 0.00 0.00 54.79 53.17 3kjx n ASP 247 Cb 0.45 0.56 -0.10 0.00 -1.14 0.00 0.00 41.12 40.88 3kjx n ASP 247 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3kjx s PHE 248 N -1.46 -0.49 -0.17 2.11 5.36 -1.24 -0.75 117.98 121.34 3kjx s PHE 248 Ca 0.08 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.19 3kjx s PHE 248 Cb 0.08 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.97 3kjx s PHE 248 CO 0.28 -0.26 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.11 3kjx s LEU 249 N 0.64 2.05 -0.20 6.12 1.43 -0.21 -3.69 118.68 124.84 3kjx s LEU 249 Ca -0.04 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3kjx s LEU 249 Cb -0.05 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3kjx s LEU 249 CO -0.04 -0.04 -0.00 -0.47 0.23 0.00 0.00 176.35 176.02 3kjx s TYR 250 N 1.36 3.04 0.05 0.29 5.04 -0.99 -2.57 117.35 123.57 3kjx s TYR 250 Ca 0.04 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 3kjx s TYR 250 Cb -0.14 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 3kjx s TYR 250 CO -0.11 -0.23 0.05 0.71 -1.34 0.00 0.00 175.55 174.62 3kjx s TYR 251 N 0.96 3.14 0.10 4.97 2.02 -0.61 -4.35 117.35 123.59 3kjx s TYR 251 Ca 0.01 0.08 0.34 0.00 -0.37 0.00 0.00 57.07 57.13 3kjx s TYR 251 Cb -0.14 -1.63 1.52 0.00 -0.40 0.00 0.00 41.96 41.30 3kjx s TYR 251 CO 0.02 0.50 2.00 0.66 -1.57 0.00 0.00 175.55 177.16 3kjx h SER 252 N 3.69 0.00 -5.01 2.29 4.64 -1.93 -3.38 113.55 113.85 3kjx h SER 252 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3kjx h SER 252 Cb 1.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3kjx h SER 252 CO 0.62 0.00 0.16 0.54 -0.87 0.00 0.00 176.83 177.28 3kjx s ASN 253 N -5.21 -0.51 0.00 4.97 2.20 -1.26 -4.47 114.94 110.65 3kjx s ASN 253 Ca 0.00 -0.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.88 3kjx s ASN 253 Cb 0.10 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 3kjx s ASN 253 CO 0.46 -0.94 0.00 0.47 -2.94 0.00 0.00 177.10 174.15 3kjx n ASP 254 N -0.32 0.00 0.00 3.54 8.00 -0.51 -2.45 116.55 124.81 3kjx n ASP 254 Ca -0.17 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3kjx n ASP 254 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.28 0.00 -0.22 0.53 -5.35 -1.26 0.14 119.36 114.48 3kjx n ILE 256 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3kjx n ILE 256 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.82 -0.84 -1.28 0.00 -1.84 -1.02 119.26 115.10 3kjx h ALA 257 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kjx h ALA 257 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3kjx h ALA 257 CO 0.00 0.50 0.55 0.00 0.00 0.00 0.00 179.25 180.30 3kjx h ALA 258 N 1.07 1.09 -0.69 0.00 0.00 -0.58 0.14 119.26 120.28 3kjx h ALA 258 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kjx h ALA 258 Cb 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kjx h ALA 258 CO -0.01 0.43 0.31 0.78 0.00 0.00 0.00 179.25 180.76 3kjx h GLY 259 N 1.10 1.08 1.33 0.00 0.00 -1.55 -1.93 103.07 103.11 3kjx h GLY 259 Ca 0.32 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3kjx h GLY 259 CO -0.09 0.53 -0.12 -1.33 0.00 0.00 0.00 176.54 175.53 3kjx h GLY 260 N 0.97 0.86 0.92 4.60 0.00 -0.51 -2.63 103.07 107.28 3kjx h GLY 260 Ca 0.23 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3kjx h GLY 260 CO -0.03 0.60 -0.17 -2.00 0.00 0.00 0.00 176.54 174.95 3kjx h LEU 261 N 0.72 -0.43 -1.77 3.11 5.85 -0.25 0.16 115.31 122.70 3kjx h LEU 261 Ca 0.12 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3kjx h LEU 261 Cb 0.60 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3kjx h LEU 261 CO 0.04 -0.28 0.19 -0.07 -0.34 0.00 0.00 178.44 177.99 3kjx h LEU 262 N -0.43 0.26 -0.04 2.25 3.38 -1.32 0.04 115.31 119.44 3kjx h LEU 262 Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3kjx h LEU 262 Cb 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kjx h LEU 262 CO 0.03 0.18 -0.08 0.22 0.09 0.00 0.00 178.44 178.88 3kjx h TYR 263 N 0.31 0.16 -0.19 1.13 3.20 -1.04 -1.70 116.97 118.83 3kjx h TYR 263 Ca 0.11 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3kjx h TYR 263 Cb 0.09 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3kjx h TYR 263 CO -0.00 0.67 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.11 3kjx h LEU 264 N -0.40 -0.09 -0.70 2.82 4.07 -0.48 -0.53 115.31 120.00 3kjx h LEU 264 Ca 0.00 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.02 3kjx h LEU 264 Cb 0.66 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.44 3kjx h LEU 264 CO 0.02 -0.02 0.46 -0.07 -1.08 0.00 0.00 178.44 177.75 3kjx h LEU 265 N 0.05 0.78 -1.29 1.67 3.38 -1.05 -1.61 115.31 117.25 3kjx h LEU 265 Ca 0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kjx h LEU 265 Cb 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3kjx h LEU 265 CO -0.16 0.56 0.49 -0.08 0.09 0.00 0.00 178.44 179.35 3kjx h GLU 266 N 0.93 0.92 0.00 1.13 4.81 -0.87 0.10 114.58 121.60 3kjx h GLU 266 Ca 0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kjx h GLU 266 Cb -0.08 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.10 3kjx h GLU 266 CO -0.07 0.61 0.00 1.04 -0.73 0.00 0.00 179.01 179.86 3kjx n GLN 267 N -4.44 0.91 -1.30 1.92 1.13 -0.24 -4.88 117.38 110.47 3kjx n GLN 267 Ca 0.09 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.05 3kjx n GLN 267 Cb 0.09 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 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 0.72 1.16 3.74 1.08 0.00 0.35 -4.99 105.19 107.25 3kjx n GLY 268 Ca 0.17 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3kjx n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjx s ILE 269 N -2.30 3.76 -0.22 -0.61 1.01 -0.87 -4.99 121.20 116.98 3kjx s ILE 269 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 3kjx s ILE 269 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3kjx s ILE 269 CO 0.00 0.31 1.39 -0.62 0.00 0.00 0.00 174.94 176.02 3kjx s ASP 270 N -0.39 6.69 -0.17 3.58 -1.08 -1.26 -4.63 116.67 119.40 3kjx s ASP 270 Ca 0.47 1.53 -0.01 0.00 -0.52 0.00 0.00 52.55 54.02 3kjx s ASP 270 Cb -0.30 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.62 3kjx s ASP 270 CO 0.37 -1.01 -0.11 -0.63 0.52 0.00 0.00 175.17 174.30 3kjx s ILE 271 N 4.28 2.94 -2.18 4.11 -1.09 -1.26 -0.10 121.20 127.89 3kjx s ILE 271 Ca 0.61 -0.66 0.18 0.00 -2.23 0.00 0.00 60.65 58.54 3kjx s ILE 271 Cb -0.21 -2.28 0.43 0.00 -1.58 0.00 0.00 42.46 38.82 3kjx s ILE 271 CO 0.22 0.49 1.43 -0.81 -1.23 0.00 0.00 174.94 175.04 3kjx n PRO 272 N 4.22 2.05 -0.33 2.79 -0.04 -1.26 -4.91 135.00 137.52 3kjx n PRO 272 Ca -0.19 -1.61 -0.04 0.00 -0.04 0.00 0.00 63.50 61.62 3kjx n PRO 272 Cb 0.51 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 4.90 -0.15 0.09 0.55 0.00 -1.93 -3.13 103.07 103.41 3kjx h GLY 273 Ca 0.00 0.55 -0.37 0.00 0.00 0.00 0.00 47.33 47.51 3kjx h GLY 273 CO 0.00 -0.16 -2.07 -0.18 0.00 0.00 0.00 176.54 174.13 3kjx n GLN 274 N -5.43 0.62 -4.14 4.80 7.27 0.86 -4.97 117.38 116.38 3kjx n GLN 274 Ca 0.07 0.34 -0.19 0.00 0.07 0.00 0.00 57.00 57.28 3kjx n GLN 274 Cb 0.37 -1.61 -0.16 0.00 2.41 0.00 0.00 30.24 31.25 3kjx n GLN 274 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3kjx s ILE 275 N -2.47 0.48 0.30 1.69 1.01 -0.92 -4.51 121.20 116.76 3kjx s ILE 275 Ca -0.33 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3kjx s ILE 275 Cb 0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3kjx s ILE 275 CO 0.58 0.21 0.47 -0.83 0.00 0.00 0.00 174.94 175.38 3kjx s GLY 276 N 0.89 1.36 0.03 6.18 0.00 0.07 -4.11 107.32 111.74 3kjx s GLY 276 Ca -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 3kjx s GLY 276 CO 0.00 -0.95 0.05 1.08 0.00 0.00 0.00 173.10 173.28 3kjx s LEU 277 N -4.09 1.95 -0.17 0.66 1.02 0.25 -1.04 118.68 117.27 3kjx s LEU 277 Ca 0.38 -0.50 -0.25 0.00 0.02 0.00 0.00 54.13 53.77 3kjx s LEU 277 Cb -0.10 0.42 0.06 0.00 0.02 0.00 0.00 46.19 46.60 3kjx s LEU 277 CO 0.33 -0.42 0.65 0.00 0.02 0.00 0.00 176.35 176.92 3kjx s ALA 278 N -2.13 -1.63 0.00 4.21 0.00 -1.06 -3.84 121.76 117.30 3kjx s ALA 278 Ca -0.09 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3kjx s ALA 278 Cb -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3kjx s ALA 278 CO -0.03 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3kjx n GLY 279 N 2.00 5.29 3.43 0.00 0.00 0.66 -1.57 105.19 115.00 3kjx n GLY 279 Ca -0.16 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 1.58 -0.52 0.00 1.61 5.36 -1.26 -4.47 117.98 120.28 3kjx s PHE 280 Ca 0.00 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3kjx s PHE 280 Cb 0.00 0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 3kjx s PHE 280 CO 0.00 -0.43 0.00 0.09 -1.46 0.00 0.00 175.22 173.42 3kjx n ASN 281 N 1.74 0.00 -3.64 6.13 3.02 -1.26 -1.43 115.26 119.82 3kjx n ASN 281 Ca -0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.14 3kjx n ASN 281 Cb 0.56 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.09 -3.27 -4.80 6.41 5.15 -1.26 -2.90 115.26 114.69 3kjx n ASN 282 Ca 0.00 -0.87 -0.31 0.00 -0.60 0.00 0.00 54.58 52.79 3kjx n ASN 282 Cb 0.00 -3.97 0.06 0.00 -0.53 0.00 0.00 39.78 35.34 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 -3.58 3.75 0.25 3.44 -7.23 -1.26 -4.92 120.40 110.85 3kjx s VAL 283 Ca 0.22 0.59 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 3kjx s VAL 283 Cb -0.06 -3.22 0.24 0.00 0.56 0.00 0.00 36.38 33.90 3kjx s VAL 283 CO 0.82 -0.72 1.88 -0.08 -0.31 0.00 0.00 175.10 176.69 3kjx h GLU 284 N -0.77 1.09 -1.31 4.82 4.22 -2.04 -2.34 114.58 118.25 3kjx h GLU 284 Ca -0.44 -0.07 0.38 0.00 0.08 0.00 0.00 59.36 59.32 3kjx h GLU 284 Cb 1.22 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3kjx h GLU 284 CO 0.55 0.72 1.05 1.25 -2.18 0.00 0.00 179.01 180.40 3kjx h LEU 285 N 1.12 0.00 -1.90 1.64 6.46 -2.02 0.58 115.31 121.19 3kjx h LEU 285 Ca 0.40 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.13 3kjx h LEU 285 Cb 0.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3kjx h LEU 285 CO -0.16 0.00 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.48 3kjx h LEU 286 N 0.00 0.00 -0.73 2.25 4.07 -1.79 -2.70 115.31 116.40 3kjx h LEU 286 Ca 0.62 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.58 3kjx h LEU 286 Cb 2.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.47 3kjx h LEU 286 CO -0.01 0.11 0.00 1.56 -1.08 0.00 0.00 178.44 179.03 3kjx h GLN 287 N 0.00 0.00 -0.70 1.13 1.08 -0.02 -3.16 115.11 113.43 3kjx h GLN 287 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kjx h GLN 287 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3kjx h GLN 287 CO 0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.30 3kjx n GLY 288 N 0.41 2.64 3.93 3.46 0.00 -1.02 -4.97 105.19 109.64 3kjx n GLY 288 Ca 0.02 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.48 4.27 0.43 0.99 1.43 -1.20 -5.00 118.68 118.12 3kjx s LEU 289 Ca 0.51 0.36 0.29 0.00 -1.03 0.00 0.00 54.13 54.26 3kjx s LEU 289 Cb 0.30 -3.11 1.54 0.00 0.03 0.00 0.00 46.19 44.95 3kjx s LEU 289 CO 0.29 0.01 1.88 1.55 0.23 0.00 0.00 176.35 180.32 3kjx h PRO 290 N 2.26 0.00 -4.18 1.29 0.13 -1.93 -3.42 132.00 126.15 3kjx h PRO 290 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 3kjx h PRO 290 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 3kjx h PRO 290 CO 0.70 0.00 -0.72 1.03 -0.23 0.00 0.00 178.00 178.78 3kjx s ARG 291 N -3.71 0.37 -0.49 0.86 1.81 -1.26 -5.11 118.95 111.41 3kjx s ARG 291 Ca -0.03 -0.60 -0.22 0.00 -1.72 0.00 0.00 55.73 53.17 3kjx s ARG 291 Cb 0.08 -0.06 0.04 0.00 -0.45 0.00 0.00 34.95 34.56 3kjx s ARG 291 CO 0.28 -0.01 0.76 0.15 -0.68 0.00 0.00 175.30 175.81 3kjx s LYS 292 N -1.34 3.29 0.13 3.54 1.02 -1.26 -5.00 119.74 120.12 3kjx s LYS 292 Ca -0.12 -0.39 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 3kjx s LYS 292 Cb -0.09 -4.01 -0.08 0.00 -0.52 0.00 0.00 37.83 33.13 3kjx s LYS 292 CO -0.00 -1.22 1.38 -0.51 -0.92 0.00 0.00 175.35 174.07 3kjx s LEU 293 N 3.22 4.38 0.34 3.17 1.43 -1.26 -0.65 118.68 129.31 3kjx s LEU 293 Ca 0.25 2.36 -0.28 0.00 -1.03 0.00 0.00 54.13 55.42 3kjx s LEU 293 Cb -0.14 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 3kjx s LEU 293 CO 0.18 -0.64 1.30 0.00 0.23 0.00 0.00 176.35 177.43 3kjx s ALA 294 N 0.89 3.45 0.00 4.21 0.00 -1.25 -4.59 121.76 124.47 3kjx s ALA 294 Ca 0.63 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3kjx s ALA 294 Cb -0.37 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3kjx s ALA 294 CO 0.32 -0.65 0.00 -2.37 0.00 0.00 0.00 175.76 173.06 3kjx n THR 295 N 0.69 0.00 -4.63 0.00 5.66 -0.16 -0.25 114.28 115.59 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 0.42 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.04 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 3.24 0.00 1.09 -1.08 -1.25 0.20 116.67 120.87 3kjx s ASP 297 Ca 0.00 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.73 3kjx s ASP 297 Cb 0.00 -1.47 1.56 0.00 -1.46 0.00 0.00 42.92 41.54 3kjx s ASP 297 CO 0.00 0.08 1.98 0.00 0.52 0.00 0.00 175.17 177.75 3kjx n ALA 298 N 4.08 2.47 -3.49 3.66 0.00 -1.14 -4.64 120.51 121.45 3kjx n ALA 298 Ca -0.20 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 3kjx n ALA 298 Cb 0.52 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.38 0.33 -0.03 0.00 0.11 -1.90 -1.57 114.38 108.95 3kjx h ARG 300 Ca -0.56 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 59.50 3kjx h ARG 300 Cb 1.37 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 3kjx h ARG 300 CO 0.57 0.22 0.02 1.25 0.10 0.00 0.00 179.97 182.13 3kjx h LEU 301 N 0.34 0.04 -0.61 0.08 5.85 -1.91 -2.51 115.31 116.59 3kjx h LEU 301 Ca 0.10 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kjx h LEU 301 Cb -0.03 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3kjx h LEU 301 CO -0.02 0.13 0.37 -0.33 -0.34 0.00 0.00 178.44 178.24 3kjx h GLU 302 N -0.05 0.83 -0.93 1.25 3.07 -1.91 -1.31 114.58 115.54 3kjx h GLU 302 Ca 0.01 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3kjx h GLU 302 Cb 0.10 -0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 3kjx h GLU 302 CO -0.00 0.60 0.60 0.82 -1.40 0.00 0.00 179.01 179.63 3kjx h ILE 303 N 0.83 1.16 -0.19 3.13 2.04 -1.23 0.16 117.51 123.41 3kjx h ILE 303 Ca 0.22 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3kjx h ILE 303 Cb -0.02 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 35.94 3kjx h ILE 303 CO -0.04 0.21 -0.02 1.23 0.00 0.00 0.00 178.15 179.53 3kjx h GLY 304 N 1.18 0.38 0.94 5.37 0.00 -0.99 -0.91 103.07 109.04 3kjx h GLY 304 Ca 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kjx h GLY 304 CO -0.12 0.27 0.11 3.21 0.00 0.00 0.00 176.54 180.02 3kjx h ARG 305 N 0.09 0.30 -0.29 4.80 3.08 -0.83 -2.67 114.38 118.86 3kjx h ARG 305 Ca 0.05 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3kjx h ARG 305 Cb 0.43 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kjx h ARG 305 CO 0.01 0.30 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.91 3kjx h LYS 306 N 0.23 0.47 -0.51 0.04 3.64 -0.69 -0.85 116.57 118.90 3kjx h LYS 306 Ca 0.07 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 3kjx h LYS 306 Cb 0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kjx h LYS 306 CO -0.01 0.56 -0.09 0.00 -2.27 0.00 0.00 179.45 177.64 3kjx h ALA 307 N 1.48 0.70 0.00 5.00 0.00 -1.03 -1.87 119.26 123.54 3kjx h ALA 307 Ca 0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3kjx h ALA 307 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kjx h ALA 307 CO 0.02 0.59 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 3kjx h ALA 308 N 0.91 0.97 -0.10 0.00 0.00 -1.24 -2.95 119.26 116.84 3kjx h ALA 308 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kjx h ALA 308 Cb 0.65 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kjx h ALA 308 CO 0.04 0.22 -0.03 1.49 0.00 0.00 0.00 179.25 180.97 3kjx h GLU 309 N 0.00 0.20 0.16 0.00 4.81 -0.63 -0.95 114.58 118.18 3kjx h GLU 309 Ca -0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3kjx h GLU 309 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3kjx h GLU 309 CO 0.02 0.52 -0.09 0.82 -0.73 0.00 0.00 179.01 179.55 3kjx h ILE 310 N -0.13 0.00 -1.30 2.32 5.03 -1.23 -1.75 117.51 120.45 3kjx h ILE 310 Ca 0.03 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.17 3kjx h ILE 310 Cb 0.45 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.12 3kjx h ILE 310 CO 0.01 0.00 0.85 0.40 -0.68 0.00 0.00 178.15 178.73 3kjx h ILE 311 N -0.24 0.22 0.07 -0.67 2.04 -1.60 0.12 117.51 117.46 3kjx h ILE 311 Ca -0.02 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kjx h ILE 311 Cb 0.19 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3kjx h ILE 311 CO 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.17 3kjx h ALA 312 N 1.55 -0.10 0.26 1.87 0.00 -0.85 -2.69 119.26 119.31 3kjx h ALA 312 Ca 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 3kjx h ALA 312 Cb 2.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.24 3kjx h ALA 312 CO -0.34 -0.40 -0.12 0.87 0.00 0.00 0.00 179.25 179.26 3kjx h LYS 313 N -0.40 -0.33 -0.98 0.00 1.57 0.07 -2.44 116.57 114.05 3kjx h LYS 313 Ca -0.01 0.02 0.33 0.00 -1.87 0.00 0.00 60.65 59.12 3kjx h LYS 313 Cb 0.35 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.57 3kjx h LYS 313 CO 0.02 -0.10 0.47 0.00 -0.57 0.00 0.00 179.45 179.26 3kjx h ARG 314 N -0.52 0.19 0.00 3.15 2.47 -1.19 0.31 114.38 118.79 3kjx h ARG 314 Ca -0.04 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3kjx h ARG 314 Cb 0.39 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3kjx h ARG 314 CO 0.06 0.12 -0.28 -0.07 0.56 0.00 0.00 179.97 180.36 3kjx h LEU 315 N 0.19 0.00 0.08 3.04 4.07 -1.32 -3.21 115.31 118.16 3kjx h LEU 315 Ca 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.68 3kjx h LEU 315 Cb 1.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.45 3kjx h LEU 315 CO -0.68 0.25 -0.04 -0.33 -1.08 0.00 0.00 178.44 176.56 3kjx h GLU 316 N 0.00 -0.10 -4.29 1.13 5.08 0.04 -3.42 114.58 113.02 3kjx h GLU 316 Ca -0.00 0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.68 3kjx h GLU 316 Cb 1.19 0.02 -0.36 0.00 0.50 0.00 0.00 28.75 30.11 3kjx h GLU 316 CO 0.03 -0.07 -0.55 0.34 -1.00 0.00 0.00 179.01 177.77 3kjx s ASP 317 N -5.29 5.12 0.28 1.42 -1.08 -0.31 -4.97 116.67 111.84 3kjx s ASP 317 Ca -0.02 -2.26 0.02 0.00 -0.52 0.00 0.00 52.55 49.77 3kjx s ASP 317 Cb 0.00 -1.79 0.68 0.00 -1.46 0.00 0.00 42.92 40.35 3kjx s ASP 317 CO 0.05 -0.47 1.68 -0.65 0.52 0.00 0.00 175.17 176.30 3kjx h PRO 318 N 7.70 0.32 -0.84 4.34 0.11 -1.80 1.65 132.00 143.49 3kjx h PRO 318 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3kjx h PRO 318 Cb 1.02 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kjx h PRO 318 CO 0.67 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 179.07 3kjx n GLU 319 N -5.11 0.90 0.00 1.05 -0.58 -1.26 -4.67 120.64 110.98 3kjx n GLU 319 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3kjx n GLU 319 Cb 0.63 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.01 0.00 -2.08 0.62 0.00 0.56 -4.87 120.51 114.75 3kjx n ALA 320 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3kjx n ALA 320 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.07 -0.61 -4.15 0.00 4.07 -1.26 -5.07 120.64 112.55 3kjx n GLU 321 Ca 0.00 0.62 -0.13 0.00 -0.06 0.00 0.00 57.16 57.60 3kjx n GLU 321 Cb 0.00 -3.03 -0.08 0.00 -0.06 0.00 0.00 31.44 28.27 3kjx n GLU 321 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kjx s ILE 322 N -3.06 0.00 0.29 6.31 1.10 -1.26 -5.14 121.20 119.44 3kjx s ILE 322 Ca 0.07 -1.82 -0.30 0.00 -0.51 0.00 0.00 60.65 58.09 3kjx s ILE 322 Cb -0.01 -2.45 -0.11 0.00 0.15 0.00 0.00 42.46 40.04 3kjx s ILE 322 CO 0.27 0.00 1.54 -0.70 -2.11 0.00 0.00 174.94 173.93 3kjx s GLU 323 N -3.90 4.16 -0.04 3.50 2.12 -1.26 -4.94 118.70 118.36 3kjx s GLU 323 Ca 0.34 2.50 0.02 0.00 0.36 0.00 0.00 54.97 58.19 3kjx s GLU 323 Cb 0.04 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 3kjx s GLU 323 CO 0.14 -0.55 -0.00 0.25 -0.54 0.00 0.00 175.26 174.56 3kjx n THR 324 N 2.01 0.24 -3.50 -1.70 -2.24 -1.26 -4.94 114.28 102.89 3kjx n THR 324 Ca 0.07 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 3kjx n THR 324 Cb 0.38 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.08 2.74 -0.19 -0.78 0.52 -1.26 -4.58 118.95 113.32 3kjx s ARG 325 Ca -0.03 -1.95 -0.07 0.00 -0.52 0.00 0.00 55.73 53.16 3kjx s ARG 325 Cb 0.01 -4.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 3kjx s ARG 325 CO 0.13 -1.23 0.06 0.42 0.02 0.00 0.00 175.30 174.70 3kjx s ILE 326 N 1.06 4.74 -0.22 1.52 1.09 -1.26 -5.00 121.20 123.12 3kjx s ILE 326 Ca 0.08 -0.05 -0.01 0.00 -1.10 0.00 0.00 60.65 59.58 3kjx s ILE 326 Cb -0.24 -3.14 0.02 0.00 -1.06 0.00 0.00 42.46 38.04 3kjx s ILE 326 CO -0.02 0.45 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.27 3kjx s THR 327 N 0.48 2.63 0.19 2.92 2.01 -1.26 -2.29 115.64 120.32 3kjx s THR 327 Ca 0.03 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 3kjx s THR 327 Cb -0.13 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 3kjx s THR 327 CO 0.01 0.35 0.41 -0.76 -0.69 0.00 0.00 174.62 173.94 3kjx s LEU 328 N 1.33 4.22 -0.43 4.42 1.43 0.72 -5.00 118.68 125.36 3kjx s LEU 328 Ca 0.02 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3kjx s LEU 328 Cb -0.15 -3.30 0.13 0.00 0.03 0.00 0.00 46.19 42.91 3kjx s LEU 328 CO -0.07 -0.03 0.23 -1.61 0.23 0.00 0.00 176.35 175.10 3kjx s GLU 329 N -3.06 1.25 0.77 1.70 2.02 -1.26 -4.17 118.70 115.94 3kjx s GLU 329 Ca 0.41 -1.96 -0.11 0.00 0.02 0.00 0.00 54.97 53.33 3kjx s GLU 329 Cb -0.11 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3kjx s GLU 329 CO 0.27 -1.15 1.09 -1.25 0.02 0.00 0.00 175.26 174.24 3kjx s PRO 330 N 0.42 2.32 0.23 0.39 0.04 -1.26 -5.07 135.00 132.07 3kjx s PRO 330 Ca 0.17 0.65 0.07 0.00 0.04 0.00 0.00 61.00 61.93 3kjx s PRO 330 Cb -0.24 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3kjx s PRO 330 CO -0.00 -1.46 0.17 0.15 0.04 0.00 0.00 177.00 175.90 3kjx s LYS 331 N -5.17 2.89 -0.09 4.56 1.02 -1.26 -4.96 119.74 116.73 3kjx s LYS 331 Ca 0.60 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 3kjx s LYS 331 Cb -0.14 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3kjx s LYS 331 CO 0.54 0.42 1.19 0.42 -0.92 0.00 0.00 175.35 177.00 3kjx s ILE 332 N -2.04 4.32 -0.47 2.17 1.01 -1.26 -3.95 121.20 120.99 3kjx s ILE 332 Ca 0.32 1.63 -0.24 0.00 0.00 0.00 0.00 60.65 62.37 3kjx s ILE 332 Cb -0.08 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.36 3kjx s ILE 332 CO 0.24 -0.03 0.84 -0.44 0.00 0.00 0.00 174.94 175.55 3kjx s SER 333 N 1.53 6.42 0.31 3.58 0.01 0.13 -4.93 113.70 120.75 3kjx s SER 333 Ca 0.55 -0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.80 3kjx s SER 333 Cb -0.23 -2.41 0.51 0.00 0.21 0.00 0.00 66.02 64.10 3kjx s SER 333 CO 0.20 -0.99 1.73 1.88 0.41 0.00 0.00 173.24 176.46 3kjx h TYR 334 N 9.05 0.20 -0.39 2.43 0.05 -1.90 -0.40 116.97 126.01 3kjx h TYR 334 Ca -0.25 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.48 3kjx h TYR 334 Cb 1.08 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3kjx h TYR 334 CO 0.83 0.56 0.00 0.41 -1.05 0.00 0.00 178.16 178.91 3kjx n GLY 335 N -0.24 0.82 0.68 3.88 0.00 -1.26 -3.94 105.19 105.13 3kjx n GLY 335 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.29 3kjx n GLY 335 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kjx n ASP 336 N -3.43 3.03 -0.38 1.61 5.68 0.18 -4.63 116.55 118.61 3kjx n ASP 336 Ca 0.00 -3.24 0.04 0.00 -0.50 0.00 0.00 54.79 51.09 3kjx n ASP 336 Cb 0.00 -0.53 0.11 0.00 -1.14 0.00 0.00 41.12 39.56 3kjx n ASP 336 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kjx n THR 337 N -0.94 1.23 0.09 2.12 -2.24 -1.20 -4.31 114.28 109.04 3kjx n THR 337 Ca 0.22 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3kjx n THR 337 Cb 0.83 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.17 0.42 -4.75 3.22 0.00 -1.26 -0.58 117.00 113.88 3kjx n LEU 338 Ca 0.09 0.30 -0.41 0.00 0.00 0.00 0.00 56.01 55.99 3kjx n LEU 338 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.87 3kjx n LEU 338 CO 0.05 -0.73 0.93 -0.54 0.00 0.00 0.00 177.39 177.10 3kjx s LYS 339 N -2.00 4.44 0.00 1.96 1.02 -1.26 -4.96 119.74 118.94 3kjx s LYS 339 Ca 0.00 2.04 0.11 0.00 0.02 0.00 0.00 55.97 58.14 3kjx s LYS 339 Cb 0.00 -3.15 0.08 0.00 -0.52 0.00 0.00 37.83 34.24 3kjx s LYS 339 CO 0.00 -0.11 0.84 0.54 -0.92 0.00 0.00 175.35 175.70