#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi h TRP 14 N 0.00 0.68 -0.22 1.61 5.08 -2.05 -1.86 115.95 119.19 3kzi h TRP 14 Ca 0.00 0.04 0.04 0.00 1.08 0.00 0.00 58.89 60.06 3kzi h TRP 14 Cb 0.00 -0.15 -0.07 0.00 -3.00 0.00 0.00 29.16 25.94 3kzi h TRP 14 CO 0.00 -0.08 -0.48 0.35 -1.28 0.00 0.00 178.44 176.94 3kzi h PHE 15 N 0.37 -1.42 0.00 0.12 3.57 -2.04 1.29 116.94 118.83 3kzi h PHE 15 Ca 0.59 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 62.15 3kzi h PHE 15 Cb 1.17 0.65 -0.00 0.00 2.79 0.00 0.00 35.95 40.56 3kzi h PHE 15 CO -0.13 -0.50 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.00 3kzi h ASP 16 N -0.49 0.00 0.40 0.41 5.19 -1.77 0.41 116.42 120.57 3kzi h ASP 16 Ca 0.07 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.17 3kzi h ASP 16 Cb 0.64 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.17 3kzi h ASP 16 CO -0.47 0.01 -1.44 0.40 -3.12 0.00 0.00 179.24 174.63 3kzi h ILE 17 N 0.00 1.31 -0.28 0.35 2.04 0.01 -0.02 117.51 120.92 3kzi h ILE 17 Ca -0.00 -2.81 -0.02 0.00 1.00 0.00 0.00 64.86 63.03 3kzi h ILE 17 Cb 0.13 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 3kzi h ILE 17 CO 0.00 0.84 0.11 0.25 0.00 0.00 0.00 178.15 179.36 3kzi h LEU 18 N 0.11 0.38 0.00 1.44 5.85 0.32 -1.58 115.31 121.83 3kzi h LEU 18 Ca -0.22 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3kzi h LEU 18 Cb 2.09 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.02 3kzi h LEU 18 CO 0.23 0.44 0.00 -0.67 -0.34 0.00 0.00 178.44 178.11 3kzi n ASP 19 N -4.76 0.00 -0.14 1.25 -0.08 0.13 -1.98 116.55 110.96 3kzi n ASP 19 Ca -0.02 0.96 -0.04 0.00 -1.51 0.00 0.00 54.79 54.18 3kzi n ASP 19 Cb 0.13 -0.46 -0.03 0.00 2.34 0.00 0.00 41.12 43.10 3kzi n ASP 19 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3kzi n ASP 20 N -2.11 -0.36 0.16 1.67 9.92 -0.02 0.29 116.55 126.10 3kzi n ASP 20 Ca 0.00 0.61 -0.15 0.00 -0.53 0.00 0.00 54.79 54.73 3kzi n ASP 20 Cb 0.00 -0.08 -0.07 0.00 -0.64 0.00 0.00 41.12 40.33 3kzi n ASP 20 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 3kzi h TRP 21 N 0.00 -1.02 0.14 1.24 7.01 -1.12 -2.89 115.95 119.30 3kzi h TRP 21 Ca 0.06 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3kzi h TRP 21 Cb 0.15 0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 3kzi h TRP 21 CO -0.35 -0.49 -0.42 -0.07 -2.79 0.00 0.00 178.44 174.32 3kzi h LEU 22 N -0.66 -1.23 -0.40 0.65 3.38 0.49 -1.73 115.31 115.80 3kzi h LEU 22 Ca 0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kzi h LEU 22 Cb 0.65 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kzi h LEU 22 CO -0.16 -0.49 0.00 0.29 0.09 0.00 0.00 178.44 178.16 3kzi n LYS 23 N -5.47 0.54 -2.42 1.13 5.02 -0.63 -2.67 118.16 113.67 3kzi n LYS 23 Ca -0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 3kzi n LYS 23 Cb 0.38 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.25 3kzi n LYS 23 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kzi s ARG 24 N -1.60 4.54 -0.93 1.97 3.52 -0.65 -4.93 118.95 120.86 3kzi s ARG 24 Ca 0.00 1.84 -0.24 0.00 -0.13 0.00 0.00 55.73 57.19 3kzi s ARG 24 Cb 0.00 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3kzi s ARG 24 CO 0.00 -0.00 1.70 0.34 -0.81 0.00 0.00 175.30 176.53 3kzi s ASP 25 N -0.11 5.77 0.04 -2.12 2.15 -1.26 -4.64 116.67 116.50 3kzi s ASP 25 Ca 0.50 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.54 3kzi s ASP 25 Cb -0.32 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 3kzi s ASP 25 CO 0.37 -2.16 0.00 0.54 -0.17 0.00 0.00 175.17 173.75 3kzi n ARG 26 N 8.91 2.16 0.00 4.34 1.74 -1.26 -5.03 116.66 127.52 3kzi n ARG 26 Ca 0.35 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.25 3kzi n ARG 26 Cb 0.49 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.82 3kzi n ARG 26 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3kzi h PHE 27 N -0.04 0.57 -3.42 -1.55 3.57 -2.05 -3.38 116.94 110.64 3kzi h PHE 27 Ca 0.00 -0.31 -0.66 0.00 3.53 0.00 0.00 57.97 60.52 3kzi h PHE 27 Cb 0.00 -0.06 -0.39 0.00 2.79 0.00 0.00 35.95 38.29 3kzi h PHE 27 CO 0.00 1.14 -0.49 0.08 -2.23 0.00 0.00 178.31 176.81 3kzi s VAL 28 N -3.14 3.17 -0.25 1.41 1.01 -1.26 -5.08 120.40 116.27 3kzi s VAL 28 Ca -0.14 -3.31 -0.42 0.00 0.00 0.00 0.00 61.98 58.11 3kzi s VAL 28 Cb 0.03 -3.11 -0.18 0.00 0.00 0.00 0.00 36.38 33.12 3kzi s VAL 28 CO 0.81 -0.87 1.50 0.33 0.00 0.00 0.00 175.10 176.88 3kzi n PHE 29 N 3.09 1.59 0.00 5.22 7.35 -1.26 -4.93 117.46 128.52 3kzi n PHE 29 Ca 0.08 0.88 0.00 0.00 -0.76 0.00 0.00 57.45 57.65 3kzi n PHE 29 Cb 0.35 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3kzi n PHE 29 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3kzi n VAL 30 N 3.46 0.00 0.00 -2.13 0.31 -1.26 -4.96 118.33 113.75 3kzi n VAL 30 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 3kzi n VAL 30 Cb 0.06 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3kzi n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kzi n GLY 31 N 2.66 -1.15 0.14 2.92 0.00 -1.09 -3.52 105.19 105.15 3kzi n GLY 31 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 3kzi n GLY 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kzi h TRP 32 N 0.00 0.19 -0.87 1.61 4.06 -1.95 -2.33 115.95 116.65 3kzi h TRP 32 Ca 0.00 0.02 0.22 0.00 2.06 0.00 0.00 58.89 61.18 3kzi h TRP 32 Cb 0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 27.99 3kzi h TRP 32 CO 0.00 0.09 0.33 0.66 -3.56 0.00 0.00 178.44 175.95 3kzi h SER 33 N 0.24 0.21 -0.89 -3.49 4.64 -1.91 -0.15 113.55 112.19 3kzi h SER 33 Ca 0.13 0.17 0.25 0.00 -0.47 0.00 0.00 61.79 61.87 3kzi h SER 33 Cb 0.10 0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 3kzi h SER 33 CO -0.14 -0.05 0.63 1.23 -0.87 0.00 0.00 176.83 177.64 3kzi h GLY 34 N 0.33 0.16 1.87 -0.77 0.00 -1.46 0.27 103.07 103.47 3kzi h GLY 34 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3kzi h GLY 34 CO -0.56 -0.01 0.06 -2.22 0.00 0.00 0.00 176.54 173.81 3kzi h ILE 35 N 0.07 0.07 0.00 2.60 2.04 -1.11 -2.39 117.51 118.79 3kzi h ILE 35 Ca 0.43 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.97 3kzi h ILE 35 Cb 1.62 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3kzi h ILE 35 CO -0.04 0.00 -2.09 -0.11 0.00 0.00 0.00 178.15 175.91 3kzi n LEU 36 N -3.15 1.38 0.00 1.44 7.94 0.81 -4.60 117.00 120.81 3kzi n LEU 36 Ca -0.03 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 3kzi n LEU 36 Cb 0.13 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.51 3kzi n LEU 36 CO 0.20 0.41 0.47 -0.11 -1.11 0.00 0.00 177.39 177.25 3kzi n LEU 37 N -3.87 0.00 -0.27 -1.96 7.94 -0.43 -2.90 117.00 115.52 3kzi n LEU 37 Ca -0.38 0.95 0.07 0.00 -1.11 0.00 0.00 56.01 55.53 3kzi n LEU 37 Cb 0.77 -0.45 0.22 0.00 0.53 0.00 0.00 43.42 44.49 3kzi n LEU 37 CO 0.02 -0.45 1.03 -0.26 -1.11 0.00 0.00 177.39 176.62 3kzi h PHE 38 N 0.00 0.56 0.27 1.96 0.04 -1.70 0.41 116.94 118.47 3kzi h PHE 38 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kzi h PHE 38 Cb 0.00 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3kzi h PHE 38 CO -0.18 0.05 -0.26 -1.35 -0.60 0.00 0.00 178.31 175.96 3kzi h PRO 39 N 0.45 -0.55 0.22 1.51 0.11 -1.72 -2.36 132.00 129.66 3kzi h PRO 39 Ca 0.45 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 3kzi h PRO 39 Cb 0.73 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kzi h PRO 39 CO -0.43 -0.36 -0.11 0.00 -0.21 0.00 0.00 178.00 176.89 3kzi n ALA 41 N -2.20 0.87 0.01 0.00 0.00 0.14 0.11 120.51 119.45 3kzi n ALA 41 Ca -0.04 0.86 -0.18 0.00 0.00 0.00 0.00 53.44 54.08 3kzi n ALA 41 Cb 0.12 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 3kzi n ALA 41 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3kzi h TYR 42 N 0.00 0.82 -0.73 0.00 3.20 -1.46 -2.46 116.97 116.34 3kzi h TYR 42 Ca 0.72 -0.44 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3kzi h TYR 42 Cb 1.91 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 40.05 3kzi h TYR 42 CO -0.01 1.26 0.27 -0.07 -1.64 0.00 0.00 178.16 177.97 3kzi h LEU 43 N 0.15 1.03 0.77 2.82 4.07 0.15 0.33 115.31 124.64 3kzi h LEU 43 Ca -0.09 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 3kzi h LEU 43 Cb 1.46 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.94 3kzi h LEU 43 CO 0.16 0.94 -0.37 0.00 -1.08 0.00 0.00 178.44 178.09 3kzi h ALA 44 N 1.13 -1.03 -0.97 1.53 0.00 -0.85 0.31 119.26 119.38 3kzi h ALA 44 Ca 0.24 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3kzi h ALA 44 Cb 0.25 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 3kzi h ALA 44 CO -0.01 -1.03 0.61 1.25 0.00 0.00 0.00 179.25 180.07 3kzi h LEU 45 N -1.14 0.85 -0.04 0.00 5.85 -1.32 -2.13 115.31 117.39 3kzi h LEU 45 Ca -0.11 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kzi h LEU 45 Cb 0.81 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3kzi h LEU 45 CO 0.17 0.45 -0.00 1.23 -0.34 0.00 0.00 178.44 179.96 3kzi h GLY 46 N 0.92 0.07 0.80 3.75 0.00 -0.04 -2.09 103.07 106.47 3kzi h GLY 46 Ca 0.48 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.82 3kzi h GLY 46 CO -0.24 0.05 0.61 -1.33 0.00 0.00 0.00 176.54 175.63 3kzi h GLY 47 N -0.24 1.40 0.69 4.60 0.00 0.08 0.90 103.07 110.50 3kzi h GLY 47 Ca 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3kzi h GLY 47 CO 0.00 0.30 -0.33 -0.25 0.00 0.00 0.00 176.54 176.27 3kzi h TRP 48 N 1.07 -0.85 -0.96 5.60 7.01 -1.33 -0.50 115.95 125.98 3kzi h TRP 48 Ca 0.41 -0.02 0.28 0.00 2.11 0.00 0.00 58.89 61.67 3kzi h TRP 48 Cb 0.21 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 3kzi h TRP 48 CO -0.00 -0.53 0.71 -0.07 -2.79 0.00 0.00 178.44 175.76 3kzi h LEU 49 N -1.03 0.00 0.23 0.65 3.38 -1.11 0.99 115.31 118.42 3kzi h LEU 49 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kzi h LEU 49 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kzi h LEU 49 CO 0.15 0.00 -0.11 0.74 0.09 0.00 0.00 178.44 179.31 3kzi h THR 50 N 0.00 0.00 -0.75 0.22 2.02 -0.40 -3.25 112.91 110.74 3kzi h THR 50 Ca 0.46 -0.37 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3kzi h THR 50 Cb 1.88 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.19 3kzi h THR 50 CO -0.00 0.00 0.29 1.23 0.37 0.00 0.00 175.52 177.41 3kzi h GLY 51 N -0.68 1.14 -0.28 2.16 0.00 -0.48 0.16 103.07 105.09 3kzi h GLY 51 Ca -0.03 -0.14 0.29 0.00 0.00 0.00 0.00 47.33 47.46 3kzi h GLY 51 CO 0.05 -0.11 0.71 -0.84 0.00 0.00 0.00 176.54 176.35 3kzi h THR 52 N 0.43 0.46 0.00 4.70 2.02 -0.94 -2.78 112.91 116.79 3kzi h THR 52 Ca 0.42 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 67.34 3kzi h THR 52 Cb 0.64 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3kzi h THR 52 CO -0.41 0.06 -1.83 0.35 0.37 0.00 0.00 175.52 174.05 3kzi n THR 53 N -4.59 0.57 -0.03 3.16 -2.24 -0.53 -1.09 114.28 109.54 3kzi n THR 53 Ca 0.27 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 3kzi n THR 53 Cb 0.98 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3kzi n THR 53 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3kzi n PHE 54 N -2.31 0.00 -2.80 4.78 3.72 0.46 -1.44 117.46 119.88 3kzi n PHE 54 Ca -0.15 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.90 3kzi n PHE 54 Cb 0.73 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 39.02 3kzi n PHE 54 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kzi s VAL 55 N -2.09 4.27 0.38 -4.37 1.01 -1.08 -4.87 120.40 113.64 3kzi s VAL 55 Ca -0.07 1.72 0.07 0.00 0.00 0.00 0.00 61.98 63.71 3kzi s VAL 55 Cb 0.02 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kzi s VAL 55 CO 0.10 0.01 0.41 0.28 0.00 0.00 0.00 175.10 175.91 3kzi s THR 56 N -1.77 3.26 -0.18 3.92 -1.32 -1.26 -4.08 115.64 114.21 3kzi s THR 56 Ca 0.53 -1.21 0.14 0.00 -1.21 0.00 0.00 61.69 59.94 3kzi s THR 56 Cb -0.16 -3.13 0.38 0.00 -1.51 0.00 0.00 72.50 68.08 3kzi s THR 56 CO 0.21 -0.08 1.20 -1.20 -2.21 0.00 0.00 174.62 172.53 3kzi n SER 57 N -1.58 1.82 0.13 8.08 7.64 -0.96 -4.80 113.62 123.94 3kzi n SER 57 Ca 0.02 -3.59 -0.12 0.00 1.01 0.00 0.00 58.87 56.20 3kzi n SER 57 Cb 0.60 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 3kzi n SER 57 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3kzi h TRP 58 N 0.72 -0.34 0.00 1.43 -0.00 -1.83 0.36 115.95 116.30 3kzi h TRP 58 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3kzi h TRP 58 Cb 1.04 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 3kzi h TRP 58 CO 0.53 0.02 0.00 0.66 -0.00 0.00 0.00 178.44 179.65 3kzi n TYR 59 N -5.06 0.00 -0.10 2.65 4.01 -1.26 -0.79 117.16 116.60 3kzi n TYR 59 Ca -0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.44 3kzi n TYR 59 Cb 0.26 -0.48 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 3kzi n TYR 59 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3kzi n THR 60 N -1.48 1.14 -0.49 -0.72 5.66 -1.16 -4.81 114.28 112.41 3kzi n THR 60 Ca 0.03 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 3kzi n THR 60 Cb 0.15 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.22 3kzi n THR 60 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3kzi n HIS 61 N -3.83 0.00 -3.57 1.09 8.25 0.12 -4.59 115.22 112.70 3kzi n HIS 61 Ca -0.40 -0.22 -0.23 0.00 -0.26 0.00 0.00 57.72 56.61 3kzi n HIS 61 Cb 0.80 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.97 3kzi n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kzi n GLY 62 N -0.22 -0.52 2.96 -1.41 0.00 0.03 -4.94 105.19 101.09 3kzi n GLY 62 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 3kzi n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kzi s LEU 63 N -7.16 2.03 0.05 0.99 1.43 -0.91 -4.91 118.68 110.22 3kzi s LEU 63 Ca 0.49 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.18 3kzi s LEU 63 Cb -0.22 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 3kzi s LEU 63 CO 0.73 0.03 0.92 0.00 0.23 0.00 0.00 176.35 178.27 3kzi s ALA 64 N -0.23 3.24 -0.01 4.21 0.00 -1.26 -2.27 121.76 125.44 3kzi s ALA 64 Ca 0.01 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.47 3kzi s ALA 64 Cb -0.03 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3kzi s ALA 64 CO -0.00 -0.09 0.80 -1.13 0.00 0.00 0.00 175.76 175.34 3kzi n SER 65 N 3.22 0.21 -4.14 0.00 3.41 -1.26 -4.87 113.62 110.19 3kzi n SER 65 Ca 0.03 -1.63 -0.09 0.00 -0.26 0.00 0.00 58.87 56.91 3kzi n SER 65 Cb 0.50 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3kzi n SER 65 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kzi s SER 66 N -0.67 0.79 0.19 4.04 1.04 -1.26 -1.37 113.70 116.47 3kzi s SER 66 Ca 0.02 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.30 3kzi s SER 66 Cb 0.01 0.16 0.19 0.00 0.10 0.00 0.00 66.02 66.48 3kzi s SER 66 CO 0.00 -0.55 1.74 1.88 0.98 0.00 0.00 173.24 177.29 3kzi h TYR 67 N 3.03 0.28 -0.55 5.02 0.05 -1.13 -0.37 116.97 123.29 3kzi h TYR 67 Ca -0.35 0.03 0.16 0.00 0.05 0.00 0.00 58.73 58.62 3kzi h TYR 67 Cb 1.16 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.83 3kzi h TYR 67 CO 0.55 0.07 0.65 1.25 -1.05 0.00 0.00 178.16 179.63 3kzi h LEU 68 N 0.32 0.00 0.00 3.88 5.85 -1.53 0.39 115.31 124.22 3kzi h LEU 68 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3kzi h LEU 68 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kzi h LEU 68 CO -0.27 0.00 -1.42 -0.62 -0.34 0.00 0.00 178.44 175.79 3kzi n GLU 69 N -3.52 0.43 0.00 1.25 1.02 -0.19 -4.97 120.64 114.66 3kzi n GLU 69 Ca 0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3kzi n GLU 69 Cb 0.86 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3kzi n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kzi n GLY 70 N 1.32 0.61 3.80 0.62 0.00 0.14 -5.01 105.19 106.67 3kzi n GLY 70 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kzi n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kzi s ASN 72 N -1.91 5.45 0.62 0.00 2.20 -1.26 -4.10 114.94 115.95 3kzi s ASN 72 Ca 0.62 -0.47 0.20 0.00 -0.94 0.00 0.00 52.86 52.27 3kzi s ASN 72 Cb -0.16 -0.88 0.77 0.00 -2.00 0.00 0.00 41.25 38.98 3kzi s ASN 72 CO 0.20 -0.52 1.32 0.15 -2.94 0.00 0.00 177.10 175.31 3kzi h PHE 73 N 1.00 0.00 0.10 1.54 3.57 -1.97 0.50 116.94 121.68 3kzi h PHE 73 Ca -0.43 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.74 3kzi h PHE 73 Cb 1.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3kzi h PHE 73 CO 0.48 0.00 -1.77 -0.07 -2.23 0.00 0.00 178.31 174.72 3kzi h LEU 74 N 0.00 0.34 0.00 0.59 3.38 -2.00 -3.39 115.31 114.23 3kzi h LEU 74 Ca 0.30 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3kzi h LEU 74 Cb 2.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.01 3kzi h LEU 74 CO -0.00 1.76 -0.25 0.35 0.09 0.00 0.00 178.44 180.38 3kzi n THR 75 N -3.74 0.20 -1.57 0.22 -2.24 0.05 -1.20 114.28 106.00 3kzi n THR 75 Ca -0.31 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 3kzi n THR 75 Cb 0.96 -0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.98 3kzi n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kzi s VAL 76 N -3.06 3.98 0.00 2.28 -7.23 -0.51 -4.83 120.40 111.03 3kzi s VAL 76 Ca 0.11 0.64 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 3kzi s VAL 76 Cb 0.16 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.71 3kzi s VAL 76 CO 0.63 -0.84 0.00 0.00 -0.31 0.00 0.00 175.10 174.58 3kzi n ALA 77 N -3.14 0.00 -3.35 1.32 0.00 -0.47 -3.92 120.51 110.95 3kzi n ALA 77 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 3kzi n ALA 77 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3kzi n ALA 77 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kzi s VAL 78 N -2.00 5.26 0.55 0.00 1.01 0.22 -4.62 120.40 120.82 3kzi s VAL 78 Ca 0.00 -1.98 -0.18 0.00 0.00 0.00 0.00 61.98 59.81 3kzi s VAL 78 Cb 0.00 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3kzi s VAL 78 CO 0.00 -0.93 1.08 -0.44 0.00 0.00 0.00 175.10 174.81 3kzi s SER 79 N 2.83 5.86 1.16 3.32 0.01 -1.26 -1.86 113.70 123.76 3kzi s SER 79 Ca 0.10 2.00 -0.13 0.00 1.31 0.00 0.00 55.95 59.24 3kzi s SER 79 Cb -0.21 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.74 3kzi s SER 79 CO -0.03 -1.12 1.03 0.42 0.41 0.00 0.00 173.24 173.96 3kzi s THR 80 N -2.04 2.01 0.89 1.44 -4.23 -1.26 -4.65 115.64 107.80 3kzi s THR 80 Ca 0.68 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.07 3kzi s THR 80 Cb -0.19 -2.09 0.13 0.00 1.34 0.00 0.00 72.50 71.68 3kzi s THR 80 CO 0.28 -0.00 1.16 -2.84 -0.54 0.00 0.00 174.62 172.68 3kzi s PRO 81 N -4.50 1.28 1.20 3.99 0.02 -1.26 -4.78 135.00 130.94 3kzi s PRO 81 Ca 0.68 0.17 -0.13 0.00 0.02 0.00 0.00 61.00 61.74 3kzi s PRO 81 Cb -0.25 -1.87 0.29 0.00 0.02 0.00 0.00 34.50 32.70 3kzi s PRO 81 CO 0.64 -2.08 0.94 0.00 -0.33 0.00 0.00 177.00 176.18 3kzi n ALA 82 N -3.66 -3.17 0.23 -1.55 0.00 -1.26 -3.95 120.51 107.15 3kzi n ALA 82 Ca 0.08 -1.25 0.12 0.00 0.00 0.00 0.00 53.44 52.39 3kzi n ALA 82 Cb 0.60 -1.95 0.15 0.00 0.00 0.00 0.00 19.45 18.24 3kzi n ALA 82 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3kzi h ASN 83 N -2.73 0.00 -0.76 0.00 -1.24 -1.93 -3.23 115.58 105.69 3kzi h ASN 83 Ca -0.63 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.33 3kzi h ASN 83 Cb 1.34 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.36 3kzi h ASN 83 CO 0.49 0.00 0.31 0.28 -1.29 0.00 0.00 177.43 177.22 3kzi h SER 84 N 0.00 1.05 -0.53 1.15 0.02 -1.97 -2.19 113.55 111.08 3kzi h SER 84 Ca 0.00 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3kzi h SER 84 Cb 0.97 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3kzi h SER 84 CO 0.00 0.94 0.36 0.24 -1.14 0.00 0.00 176.83 177.23 3kzi h MET 85 N 1.10 0.20 0.00 3.45 2.86 -1.92 -3.47 114.93 117.15 3kzi h MET 85 Ca 0.25 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3kzi h MET 85 Cb 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3kzi h MET 85 CO -0.02 0.14 0.00 0.41 1.06 0.00 0.00 176.91 178.49 3kzi n GLY 86 N -1.57 1.31 1.15 8.32 0.00 -0.83 -2.66 105.19 110.91 3kzi n GLY 86 Ca 0.09 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.49 3kzi n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kzi n HIS 87 N 12.71 0.97 -1.52 1.61 8.25 -1.26 -2.39 115.22 133.58 3kzi n HIS 87 Ca 0.00 -0.41 -0.48 0.00 -0.26 0.00 0.00 57.72 56.57 3kzi n HIS 87 Cb 0.00 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 3kzi n HIS 87 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kzi n SER 88 N 0.86 0.46 0.21 0.41 2.88 -1.09 -4.84 113.62 112.52 3kzi n SER 88 Ca 0.19 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 59.03 3kzi n SER 88 Cb 0.61 -1.14 0.59 0.00 -0.75 0.00 0.00 64.21 63.51 3kzi n SER 88 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3kzi h LEU 89 N 2.12 0.00 -3.20 2.46 3.38 -1.94 -3.48 115.31 114.66 3kzi h LEU 89 Ca -0.38 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.26 3kzi h LEU 89 Cb 1.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.15 3kzi h LEU 89 CO 0.62 0.00 -0.72 0.18 0.09 0.00 0.00 178.44 178.61 3kzi n LEU 90 N -2.70 -3.58 -4.80 1.67 4.77 -1.26 -4.77 117.00 106.32 3kzi n LEU 90 Ca 0.01 -0.72 -0.36 0.00 -0.03 0.00 0.00 56.01 54.91 3kzi n LEU 90 Cb 0.28 -2.34 -0.06 0.00 -2.33 0.00 0.00 43.42 38.97 3kzi n LEU 90 CO 0.24 -0.04 0.57 -0.76 -1.33 0.00 0.00 177.39 176.07 3kzi s LEU 91 N -5.14 4.30 0.41 2.23 1.02 -1.26 -4.83 118.68 115.41 3kzi s LEU 91 Ca 0.14 1.67 0.19 0.00 0.02 0.00 0.00 54.13 56.15 3kzi s LEU 91 Cb -0.05 -3.92 1.13 0.00 0.02 0.00 0.00 46.19 43.37 3kzi s LEU 91 CO 0.85 -0.06 1.78 0.25 0.02 0.00 0.00 176.35 179.18 3kzi h LEU 92 N 3.12 0.42 -3.33 1.79 5.85 -1.93 0.77 115.31 122.00 3kzi h LEU 92 Ca -0.47 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3kzi h LEU 92 Cb 1.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3kzi h LEU 92 CO 0.65 0.08 0.00 -2.67 -0.34 0.00 0.00 178.44 176.16 3kzi n TRP 93 N -4.60 1.47 -2.30 1.25 2.14 -1.26 -0.54 117.44 113.60 3kzi n TRP 93 Ca 0.25 -0.73 -0.25 0.00 2.07 0.00 0.00 57.50 58.83 3kzi n TRP 93 Cb 0.89 -0.36 0.09 0.00 -0.81 0.00 0.00 31.31 31.12 3kzi n TRP 93 CO 0.00 0.00 0.00 0.20 2.07 0.00 0.00 177.69 179.96 3kzi s GLY 94 N -1.20 1.73 0.59 -1.67 0.00 0.26 -4.29 107.32 102.74 3kzi s GLY 94 Ca 0.48 -1.18 0.31 0.00 0.00 0.00 0.00 44.72 44.33 3kzi s GLY 94 CO 0.16 -0.71 1.56 -2.55 0.00 0.00 0.00 173.10 171.55 3kzi h PRO 95 N -0.63 0.00 0.00 2.90 0.11 -1.95 0.28 132.00 132.71 3kzi h PRO 95 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kzi h PRO 95 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kzi h PRO 95 CO 0.52 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.24 3kzi h GLU 96 N 0.00 -0.00 -0.18 1.05 3.07 -1.92 -3.39 114.58 113.20 3kzi h GLU 96 Ca 0.47 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.18 3kzi h GLU 96 Cb 2.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.35 3kzi h GLU 96 CO -0.00 -0.00 -0.52 0.00 -1.40 0.00 0.00 179.01 177.09 3kzi h ALA 97 N -1.92 0.76 -5.40 3.43 0.00 -1.76 -3.48 119.26 110.89 3kzi h ALA 97 Ca -0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 54.13 3kzi h ALA 97 Cb 0.00 -0.09 0.17 0.00 0.00 0.00 0.00 17.79 17.87 3kzi h ALA 97 CO 0.00 0.68 -0.76 1.04 0.00 0.00 0.00 179.25 180.21 3kzi n GLN 98 N -3.97 -4.78 0.00 0.00 6.02 0.97 -2.77 117.38 112.86 3kzi n GLN 98 Ca -0.03 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 3kzi n GLN 98 Cb 0.58 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.19 3kzi n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kzi n GLY 99 N -1.17 1.83 3.78 1.08 0.00 0.29 -4.94 105.19 106.07 3kzi n GLY 99 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3kzi n GLY 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kzi s ASP 100 N -0.26 6.50 -0.18 1.61 -1.08 -1.11 -4.80 116.67 117.35 3kzi s ASP 100 Ca 0.00 2.92 -0.17 0.00 -0.52 0.00 0.00 52.55 54.77 3kzi s ASP 100 Cb 0.00 -2.66 -0.14 0.00 -1.46 0.00 0.00 42.92 38.66 3kzi s ASP 100 CO 0.00 -0.75 0.10 0.15 0.52 0.00 0.00 175.17 175.20 3kzi h PHE 101 N 3.14 0.00 -0.51 -5.34 3.57 -1.88 -3.28 116.94 112.63 3kzi h PHE 101 Ca -0.50 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.09 3kzi h PHE 101 Cb 1.23 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 3kzi h PHE 101 CO 0.54 0.96 0.10 1.15 -2.23 0.00 0.00 178.31 178.84 3kzi h THR 102 N -1.00 0.71 -0.15 4.41 2.02 -1.98 -0.54 112.91 116.39 3kzi h THR 102 Ca -0.22 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3kzi h THR 102 Cb 1.01 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3kzi h THR 102 CO -0.13 0.04 -0.06 0.03 0.37 0.00 0.00 175.52 175.78 3kzi h ARG 103 N 0.24 -0.03 -0.71 6.66 2.47 -1.91 -1.17 114.38 119.93 3kzi h ARG 103 Ca 0.26 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.12 3kzi h ARG 103 Cb 0.35 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.54 3kzi h ARG 103 CO -0.33 -0.02 -0.18 2.35 0.56 0.00 0.00 179.97 182.35 3kzi h TRP 104 N -0.03 -0.39 -0.24 3.04 7.01 -1.36 0.14 115.95 124.13 3kzi h TRP 104 Ca 0.08 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3kzi h TRP 104 Cb 0.15 0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 3kzi h TRP 104 CO -0.20 -0.31 0.05 0.00 -2.79 0.00 0.00 178.44 175.19 3kzi h GLN 106 N 0.15 0.00 -0.64 0.00 4.20 0.31 -2.07 115.11 117.05 3kzi h GLN 106 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3kzi h GLN 106 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3kzi h GLN 106 CO -0.14 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.30 3kzi n LEU 107 N -2.32 3.99 -2.40 1.46 4.77 0.09 -4.30 117.00 118.29 3kzi n LEU 107 Ca 0.02 -2.13 -0.13 0.00 -0.03 0.00 0.00 56.01 53.73 3kzi n LEU 107 Cb 0.21 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3kzi n LEU 107 CO 0.19 0.90 0.12 0.61 -1.33 0.00 0.00 177.39 177.88 3kzi n GLY 108 N 1.28 0.01 0.13 -0.72 0.00 -0.78 -4.32 105.19 100.80 3kzi n GLY 108 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kzi n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kzi h GLY 109 N -1.45 0.00 2.00 -0.02 0.00 -0.93 -3.04 103.07 99.63 3kzi h GLY 109 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kzi h GLY 109 CO 0.32 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.27 3kzi h LEU 110 N 0.00 0.00 0.05 3.11 3.38 -1.84 -2.24 115.31 117.77 3kzi h LEU 110 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kzi h LEU 110 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3kzi h LEU 110 CO 0.08 0.00 -0.02 -0.25 0.09 0.00 0.00 178.44 178.34 3kzi h TRP 111 N 0.00 -0.06 0.00 1.13 7.01 -1.80 -2.09 115.95 120.14 3kzi h TRP 111 Ca 0.00 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3kzi h TRP 111 Cb 0.11 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3kzi h TRP 111 CO 0.00 0.46 -0.09 1.79 -2.79 0.00 0.00 178.44 177.81 3kzi h THR 112 N -0.96 0.45 0.51 2.65 1.35 -1.70 0.39 112.91 115.61 3kzi h THR 112 Ca -0.01 -0.43 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 3kzi h THR 112 Cb 0.55 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3kzi h THR 112 CO 0.01 0.08 -0.25 0.15 -0.25 0.00 0.00 175.52 175.27 3kzi h PHE 113 N 0.00 -0.64 -0.46 4.73 3.57 -1.44 -0.50 116.94 122.20 3kzi h PHE 113 Ca -0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kzi h PHE 113 Cb 0.29 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3kzi h PHE 113 CO 0.00 -0.40 0.22 0.82 -2.23 0.00 0.00 178.31 176.72 3kzi h ILE 114 N -0.95 0.94 0.04 1.41 2.04 -0.97 -0.78 117.51 119.24 3kzi h ILE 114 Ca -0.07 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3kzi h ILE 114 Cb 0.53 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3kzi h ILE 114 CO 0.12 0.08 -0.05 0.00 0.00 0.00 0.00 178.15 178.30 3kzi h ALA 115 N 1.26 -0.76 -0.90 1.87 0.00 -0.27 0.25 119.26 120.71 3kzi h ALA 115 Ca 0.21 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3kzi h ALA 115 Cb 0.13 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3kzi h ALA 115 CO -0.16 -0.76 0.58 -0.07 0.00 0.00 0.00 179.25 178.84 3kzi h LEU 116 N -0.09 0.78 0.38 0.00 3.38 -1.08 -0.07 115.31 118.60 3kzi h LEU 116 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kzi h LEU 116 Cb 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kzi h LEU 116 CO -0.01 0.45 -0.18 0.45 0.09 0.00 0.00 178.44 179.24 3kzi h HIS 117 N 0.86 -0.47 -0.88 1.13 3.86 -1.10 -2.70 115.15 115.84 3kzi h HIS 117 Ca 0.43 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.83 3kzi h HIS 117 Cb 0.48 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 3kzi h HIS 117 CO -0.00 -0.15 0.59 0.78 0.86 0.00 0.00 177.93 180.01 3kzi h GLY 118 N -0.97 0.80 0.81 2.45 0.00 -0.77 0.47 103.07 105.87 3kzi h GLY 118 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3kzi h GLY 118 CO 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.55 3kzi h ALA 119 N 1.61 -0.08 -0.31 3.60 0.00 -0.87 -0.36 119.26 122.85 3kzi h ALA 119 Ca 0.46 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 3kzi h ALA 119 Cb 1.17 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3kzi h ALA 119 CO -0.16 -0.57 -0.08 0.74 0.00 0.00 0.00 179.25 179.19 3kzi h PHE 120 N -0.13 0.54 -0.05 0.00 0.04 -0.78 -2.20 116.94 114.36 3kzi h PHE 120 Ca 0.03 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3kzi h PHE 120 Cb 0.16 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 3kzi h PHE 120 CO -0.14 0.58 0.02 0.78 -0.60 0.00 0.00 178.31 178.95 3kzi h GLY 121 N 0.89 0.07 2.00 -1.45 0.00 0.18 0.14 103.07 104.89 3kzi h GLY 121 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 3kzi h GLY 121 CO 0.02 0.02 -0.64 1.41 0.00 0.00 0.00 176.54 177.35 3kzi h LEU 122 N 0.06 0.00 0.11 3.11 3.38 -0.48 -2.12 115.31 119.38 3kzi h LEU 122 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kzi h LEU 122 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kzi h LEU 122 CO -0.00 0.64 -0.05 0.40 0.09 0.00 0.00 178.44 179.52 3kzi h ILE 123 N 0.00 1.11 -0.28 1.22 2.04 -0.88 -2.50 117.51 118.22 3kzi h ILE 123 Ca -0.01 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.78 3kzi h ILE 123 Cb 1.44 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 39.25 3kzi h ILE 123 CO 0.08 0.26 -0.13 1.23 0.00 0.00 0.00 178.15 179.60 3kzi h GLY 124 N -0.70 0.11 0.70 5.37 0.00 -0.84 -0.50 103.07 107.21 3kzi h GLY 124 Ca -0.01 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.52 3kzi h GLY 124 CO 0.02 -0.15 0.23 -2.75 0.00 0.00 0.00 176.54 173.90 3kzi h PHE 125 N -0.09 0.42 -0.60 5.60 3.57 -1.44 0.37 116.94 124.78 3kzi h PHE 125 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 3kzi h PHE 125 Cb 0.31 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3kzi h PHE 125 CO -0.32 0.20 0.11 1.98 -2.23 0.00 0.00 178.31 178.05 3kzi h MET 126 N 0.46 0.95 -0.25 1.11 4.05 -1.00 -1.18 114.93 119.07 3kzi h MET 126 Ca 0.22 -0.23 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3kzi h MET 126 Cb 0.15 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3kzi h MET 126 CO -0.17 0.87 0.15 -0.07 0.23 0.00 0.00 176.91 177.93 3kzi h LEU 127 N 0.90 0.26 -0.13 3.39 3.38 -0.25 -1.54 115.31 121.32 3kzi h LEU 127 Ca 0.19 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3kzi h LEU 127 Cb 0.38 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3kzi h LEU 127 CO 0.01 0.19 -0.45 -0.09 0.09 0.00 0.00 178.44 178.19 3kzi h ARG 128 N 0.31 -0.45 -0.81 1.13 2.43 0.55 0.63 114.38 118.18 3kzi h ARG 128 Ca 0.09 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.45 3kzi h ARG 128 Cb -0.02 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 29.48 3kzi h ARG 128 CO -0.03 -0.30 -0.25 1.96 -1.51 0.00 0.00 179.97 179.84 3kzi h GLN 129 N -0.47 -0.02 -0.56 0.20 4.20 -0.96 0.59 115.11 118.08 3kzi h GLN 129 Ca 0.03 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.80 3kzi h GLN 129 Cb 0.55 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3kzi h GLN 129 CO -0.37 -0.02 0.26 0.74 -0.67 0.00 0.00 178.83 178.78 3kzi h PHE 130 N -0.03 0.47 0.03 2.96 0.05 0.05 0.36 116.94 120.84 3kzi h PHE 130 Ca 0.37 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.18 3kzi h PHE 130 Cb 0.60 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.42 3kzi h PHE 130 CO -0.68 0.20 -0.01 1.49 -0.18 0.00 0.00 178.31 179.13 3kzi h GLU 131 N 0.50 -0.04 -0.72 1.51 4.81 0.43 -2.40 114.58 118.66 3kzi h GLU 131 Ca 0.26 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3kzi h GLU 131 Cb 0.21 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3kzi h GLU 131 CO -0.21 0.38 0.28 0.82 -0.73 0.00 0.00 179.01 179.55 3kzi h ILE 132 N -0.46 1.25 0.31 2.32 2.04 0.06 -1.85 117.51 121.17 3kzi h ILE 132 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3kzi h ILE 132 Cb 0.43 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3kzi h ILE 132 CO 0.01 0.32 -0.43 0.00 0.00 0.00 0.00 178.15 178.04 3kzi h ALA 133 N 1.26 -0.88 -0.43 1.87 0.00 -0.25 -0.82 119.26 120.01 3kzi h ALA 133 Ca 0.24 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3kzi h ALA 133 Cb 0.21 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 3kzi h ALA 133 CO -0.02 -1.04 -0.31 -0.09 0.00 0.00 0.00 179.25 177.78 3kzi h ARG 134 N -0.79 -0.22 0.46 0.00 9.65 -1.16 0.28 114.38 122.60 3kzi h ARG 134 Ca -0.02 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3kzi h ARG 134 Cb 0.74 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 3kzi h ARG 134 CO -0.13 -0.15 -0.46 -0.07 2.80 0.00 0.00 179.97 181.96 3kzi h LEU 135 N -0.23 -1.27 0.00 3.80 3.38 -1.05 -1.15 115.31 118.79 3kzi h LEU 135 Ca 0.18 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3kzi h LEU 135 Cb 0.53 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3kzi h LEU 135 CO -0.55 -0.61 0.00 0.52 0.09 0.00 0.00 178.44 177.89 3kzi n VAL 136 N -5.23 1.77 -2.66 1.22 0.31 -0.34 -4.86 118.33 108.54 3kzi n VAL 136 Ca -0.11 0.44 -0.12 0.00 -0.01 0.00 0.00 64.34 64.54 3kzi n VAL 136 Cb 0.42 -1.40 0.02 0.00 -0.91 0.00 0.00 33.84 31.97 3kzi n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kzi n GLY 137 N -1.25 0.03 3.70 2.92 0.00 0.94 -5.05 105.19 106.49 3kzi n GLY 137 Ca 0.01 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3kzi n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzi s VAL 138 N -2.88 2.74 0.40 1.61 0.11 -0.90 -5.02 120.40 116.47 3kzi s VAL 138 Ca 0.16 -1.78 -0.24 0.00 -2.93 0.00 0.00 61.98 57.19 3kzi s VAL 138 Cb -0.07 -2.93 -0.09 0.00 -1.53 0.00 0.00 36.38 31.77 3kzi s VAL 138 CO 0.20 -0.15 1.10 -0.13 -3.33 0.00 0.00 175.10 172.79 3kzi s ARG 139 N -3.82 4.10 -0.02 1.54 0.52 -1.26 -4.44 118.95 115.57 3kzi s ARG 139 Ca 0.38 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 3kzi s ARG 139 Cb -0.00 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.90 3kzi s ARG 139 CO 0.22 -0.23 1.35 -0.35 0.02 0.00 0.00 175.30 176.30 3kzi n PRO 140 N -0.03 1.04 0.00 3.54 -0.04 -1.26 -4.43 135.00 133.81 3kzi n PRO 140 Ca 0.05 -0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 3kzi n PRO 140 Cb 0.48 -1.04 0.51 0.00 -0.04 0.00 0.00 33.50 33.42 3kzi n PRO 140 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kzi n TYR 141 N 0.77 0.00 0.08 0.54 0.53 -1.26 -1.37 117.16 116.46 3kzi n TYR 141 Ca 0.02 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.92 3kzi n TYR 141 Cb 0.52 -0.15 -0.03 0.00 -1.03 0.00 0.00 39.34 38.66 3kzi n TYR 141 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 3kzi h ASN 142 N 0.00 0.00 0.17 7.72 -0.73 -1.98 -3.05 115.58 117.71 3kzi h ASN 142 Ca 0.00 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.91 3kzi h ASN 142 Cb 0.09 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.70 3kzi h ASN 142 CO 0.00 0.48 -1.19 0.00 -0.37 0.00 0.00 177.43 176.35 3kzi h ALA 143 N 1.52 -0.04 -0.10 1.57 0.00 -1.57 -2.99 119.26 117.64 3kzi h ALA 143 Ca -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.00 3kzi h ALA 143 Cb 1.44 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 3kzi h ALA 143 CO 0.05 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.59 3kzi h ILE 144 N -0.18 0.66 -0.46 0.00 1.08 -1.59 -2.36 117.51 114.66 3kzi h ILE 144 Ca -0.22 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.34 3kzi h ILE 144 Cb 1.84 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 36.17 3kzi h ILE 144 CO 0.17 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.52 3kzi h ALA 145 N 0.89 0.32 0.00 1.87 0.00 -1.62 -0.69 119.26 120.02 3kzi h ALA 145 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kzi h ALA 145 Cb 0.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kzi h ALA 145 CO -0.19 -0.44 0.00 0.34 0.00 0.00 0.00 179.25 178.95 3kzi n PHE 146 N -5.33 0.00 -0.01 0.00 7.35 -0.90 -1.60 117.46 116.98 3kzi n PHE 146 Ca 0.04 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.62 3kzi n PHE 146 Cb 0.25 -0.03 0.04 0.00 0.35 0.00 0.00 39.48 40.08 3kzi n PHE 146 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3kzi h SER 147 N 0.00 0.68 0.03 -2.13 4.64 -1.03 -2.97 113.55 112.77 3kzi h SER 147 Ca 0.00 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 60.98 3kzi h SER 147 Cb 0.01 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 3kzi h SER 147 CO 0.00 1.10 -0.43 0.00 -0.87 0.00 0.00 176.83 176.63 3kzi h ALA 148 N 0.91 -0.71 0.00 5.18 0.00 -1.46 0.24 119.26 123.43 3kzi h ALA 148 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kzi h ALA 148 Cb 1.12 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3kzi h ALA 148 CO 0.11 -0.97 -0.15 -1.35 0.00 0.00 0.00 179.25 176.89 3kzi h PRO 149 N -0.60 0.00 0.68 0.00 0.11 -1.74 -2.36 132.00 128.09 3kzi h PRO 149 Ca 0.04 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3kzi h PRO 149 Cb 0.66 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.78 3kzi h PRO 149 CO -0.30 0.15 -0.32 0.82 -0.21 0.00 0.00 178.00 178.13 3kzi h ILE 150 N 0.00 0.27 -0.85 4.15 1.08 -1.15 -1.73 117.51 119.28 3kzi h ILE 150 Ca -0.00 -0.17 0.20 0.00 -0.39 0.00 0.00 64.86 64.50 3kzi h ILE 150 Cb 0.27 0.32 -0.15 0.00 -3.07 0.00 0.00 36.82 34.18 3kzi h ILE 150 CO 0.02 0.02 -0.05 0.00 -0.69 0.00 0.00 178.15 177.45 3kzi h ALA 151 N -0.79 0.83 0.67 1.87 0.00 -0.64 0.31 119.26 121.51 3kzi h ALA 151 Ca -0.09 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kzi h ALA 151 Cb 0.73 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kzi h ALA 151 CO 0.15 -0.45 -0.36 0.28 0.00 0.00 0.00 179.25 178.87 3kzi h VAL 152 N 0.05 0.26 -0.27 0.00 2.07 -1.26 0.29 116.25 117.40 3kzi h VAL 152 Ca 0.46 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.04 3kzi h VAL 152 Cb 0.83 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3kzi h VAL 152 CO -0.80 0.00 -0.07 0.15 0.02 0.00 0.00 177.57 176.88 3kzi h PHE 153 N -0.95 -0.15 0.11 1.57 3.57 -0.10 -0.96 116.94 120.03 3kzi h PHE 153 Ca -0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3kzi h PHE 153 Cb 0.75 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3kzi h PHE 153 CO -0.06 -0.12 -0.18 0.28 -2.23 0.00 0.00 178.31 176.00 3kzi h VAL 154 N -0.00 0.59 -0.55 1.41 2.07 -0.33 0.50 116.25 119.94 3kzi h VAL 154 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 3kzi h VAL 154 Cb 0.20 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3kzi h VAL 154 CO -0.28 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.08 3kzi h SER 155 N -0.36 0.95 0.13 0.57 4.64 -0.83 0.16 113.55 118.82 3kzi h SER 155 Ca 0.02 -0.31 -0.17 0.00 -0.47 0.00 0.00 61.79 60.87 3kzi h SER 155 Cb 0.37 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3kzi h SER 155 CO -0.09 1.02 -0.74 0.58 -0.87 0.00 0.00 176.83 176.73 3kzi h VAL 156 N 0.85 1.54 -0.01 0.95 2.07 -1.14 0.51 116.25 121.02 3kzi h VAL 156 Ca 0.16 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3kzi h VAL 156 Cb 0.54 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3kzi h VAL 156 CO 0.03 0.71 -0.47 0.49 0.02 0.00 0.00 177.57 178.34 3kzi n PHE 157 N -4.17 0.00 0.01 1.57 3.72 0.16 -4.37 117.46 114.38 3kzi n PHE 157 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3kzi n PHE 157 Cb 0.79 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 3kzi n PHE 157 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kzi n LEU 158 N -0.91 0.06 -0.20 4.37 4.77 -0.87 -4.81 117.00 119.41 3kzi n LEU 158 Ca 0.09 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3kzi n LEU 158 Cb 0.36 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.57 3kzi n LEU 158 CO 0.31 -0.53 0.95 0.40 -1.33 0.00 0.00 177.39 177.19 3kzi h ILE 159 N 0.00 0.69 0.00 -0.08 2.04 -0.68 -1.84 117.51 117.64 3kzi h ILE 159 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3kzi h ILE 159 Cb 0.00 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3kzi h ILE 159 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.21 3kzi n TYR 160 N -5.07 0.00 0.25 1.37 9.36 0.18 -1.99 117.16 121.26 3kzi n TYR 160 Ca 0.09 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.47 3kzi n TYR 160 Cb 0.31 -0.25 0.73 0.00 -0.63 0.00 0.00 39.34 39.50 3kzi n TYR 160 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3kzi h PRO 161 N 0.00 0.00 0.00 2.98 0.13 -1.77 0.68 132.00 134.02 3kzi h PRO 161 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kzi h PRO 161 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kzi h PRO 161 CO 0.00 0.00 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.70 3kzi h LEU 162 N 0.00 0.00 0.00 1.56 3.38 -0.68 -2.35 115.31 117.22 3kzi h LEU 162 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kzi h LEU 162 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3kzi h LEU 162 CO -0.00 0.00 -1.37 0.61 0.09 0.00 0.00 178.44 177.77 3kzi n GLY 163 N -0.09 -1.29 0.00 0.83 0.00 0.24 -4.94 105.19 99.94 3kzi n GLY 163 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3kzi n GLY 163 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kzi n GLN 164 N -2.61 0.66 0.20 1.61 1.13 -0.88 -4.73 117.38 112.76 3kzi n GLN 164 Ca -0.04 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.07 3kzi n GLN 164 Cb 0.63 0.00 0.41 0.00 0.11 0.00 0.00 30.24 31.38 3kzi n GLN 164 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3kzi h SER 165 N 0.00 0.00 -1.97 1.08 4.64 -1.92 -3.48 113.55 111.90 3kzi h SER 165 Ca 0.00 0.00 0.41 0.00 -0.47 0.00 0.00 61.79 61.73 3kzi h SER 165 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 3kzi h SER 165 CO 0.00 0.34 1.01 -1.54 -0.87 0.00 0.00 176.83 175.77 3kzi n SER 166 N -3.86 -0.99 0.26 4.97 3.41 -1.26 -4.50 113.62 111.66 3kzi n SER 166 Ca -0.01 -1.00 0.17 0.00 -0.26 0.00 0.00 58.87 57.76 3kzi n SER 166 Cb 0.41 1.48 0.89 0.00 -0.26 0.00 0.00 64.21 66.73 3kzi n SER 166 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3kzi h TRP 167 N 1.98 0.00 -0.64 7.33 -0.00 -1.70 -2.64 115.95 120.28 3kzi h TRP 167 Ca -0.19 0.00 0.19 0.00 -0.00 0.00 0.00 58.89 58.89 3kzi h TRP 167 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.28 3kzi h TRP 167 CO 0.00 0.00 0.58 0.35 -0.00 0.00 0.00 178.44 179.37 3kzi h PHE 168 N 0.00 0.00 -0.65 0.49 3.57 -1.76 -0.19 116.94 118.40 3kzi h PHE 168 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kzi h PHE 168 Cb 0.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3kzi h PHE 168 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 3kzi n PHE 169 N -3.90 1.50 -3.01 0.41 3.72 -0.99 -4.86 117.46 110.34 3kzi n PHE 169 Ca 0.13 -0.61 -0.26 0.00 -0.05 0.00 0.00 57.45 56.65 3kzi n PHE 169 Cb 0.82 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 3kzi n PHE 169 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kzi s ALA 170 N -1.87 3.54 0.09 4.37 0.00 -0.08 -4.73 121.76 123.08 3kzi s ALA 170 Ca 0.52 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.50 3kzi s ALA 170 Cb 0.33 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 3kzi s ALA 170 CO 0.25 -0.15 1.48 -1.25 0.00 0.00 0.00 175.76 176.09 3kzi s PRO 171 N -4.43 4.27 0.34 0.00 0.04 -1.26 -4.86 135.00 129.10 3kzi s PRO 171 Ca 0.44 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.37 3kzi s PRO 171 Cb -0.10 -3.39 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 3kzi s PRO 171 CO 0.39 -0.56 1.03 -1.12 0.04 0.00 0.00 177.00 176.78 3kzi s SER 172 N 1.58 7.08 -0.50 6.66 0.01 -1.26 -4.91 113.70 122.36 3kzi s SER 172 Ca 0.67 2.05 -0.28 0.00 1.31 0.00 0.00 55.95 59.70 3kzi s SER 172 Cb -0.37 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.26 3kzi s SER 172 CO 0.30 -0.27 1.52 -0.36 0.41 0.00 0.00 173.24 174.85 3kzi s PHE 173 N -1.49 2.17 0.00 2.43 0.08 -0.78 -4.36 117.98 116.03 3kzi s PHE 173 Ca 0.52 0.58 0.00 0.00 0.12 0.00 0.00 56.93 58.15 3kzi s PHE 173 Cb -0.24 -4.30 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 3kzi s PHE 173 CO 0.30 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.68 3kzi n GLY 174 N 5.29 1.70 0.05 4.36 0.00 -1.26 0.68 105.19 116.01 3kzi n GLY 174 Ca 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 3kzi n GLY 174 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kzi h VAL 175 N 0.48 0.00 -0.49 1.61 2.07 -1.70 -3.03 116.25 115.19 3kzi h VAL 175 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kzi h VAL 175 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3kzi h VAL 175 CO 0.00 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.91 3kzi h ALA 176 N -1.90 0.62 0.00 1.67 0.00 -1.42 -1.38 119.26 116.85 3kzi h ALA 176 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kzi h ALA 176 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kzi h ALA 176 CO 0.02 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.49 3kzi n ALA 177 N -2.24 0.72 -0.09 0.00 0.00 -1.25 0.74 120.51 118.39 3kzi n ALA 177 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3kzi n ALA 177 Cb 0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 3kzi n ALA 177 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kzi n ILE 178 N -1.23 1.18 -0.09 0.00 2.08 -0.53 -4.06 119.36 116.70 3kzi n ILE 178 Ca 0.00 -0.72 -0.02 0.00 0.56 0.00 0.00 62.75 62.57 3kzi n ILE 178 Cb 0.14 -0.56 0.23 0.00 -0.75 0.00 0.00 39.64 38.70 3kzi n ILE 178 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 3kzi h PHE 179 N 0.00 0.76 0.00 1.39 0.04 0.47 -0.77 116.94 118.83 3kzi h PHE 179 Ca -0.47 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.17 3kzi h PHE 179 Cb 2.05 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.97 3kzi h PHE 179 CO 0.00 0.65 -0.32 0.07 -0.60 0.00 0.00 178.31 178.11 3kzi h ARG 180 N 0.72 0.00 -0.44 1.51 0.11 -1.67 -0.18 114.38 114.43 3kzi h ARG 180 Ca 0.16 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.13 3kzi h ARG 180 Cb 0.28 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 3kzi h ARG 180 CO -0.00 0.32 -0.15 0.35 0.10 0.00 0.00 179.97 180.59 3kzi h PHE 181 N 0.00 0.93 0.55 4.08 3.57 -1.32 0.48 116.94 125.24 3kzi h PHE 181 Ca -0.00 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3kzi h PHE 181 Cb 0.78 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.29 3kzi h PHE 181 CO 0.00 0.93 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.67 3kzi h LEU 182 N 0.74 -0.63 -1.25 0.59 3.38 -0.45 -2.29 115.31 115.41 3kzi h LEU 182 Ca 0.12 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.21 3kzi h LEU 182 Cb 0.66 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 3kzi h LEU 182 CO 0.05 -0.25 0.60 -0.07 0.09 0.00 0.00 178.44 178.86 3kzi h LEU 183 N -1.09 0.65 0.44 1.67 3.38 -1.05 -1.42 115.31 117.89 3kzi h LEU 183 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kzi h LEU 183 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kzi h LEU 183 CO 0.12 0.29 -0.21 0.15 0.09 0.00 0.00 178.44 178.88 3kzi h PHE 184 N 0.67 -0.55 -0.50 1.13 3.57 -0.85 -0.95 116.94 119.46 3kzi h PHE 184 Ca 0.49 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.09 3kzi h PHE 184 Cb 0.85 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3kzi h PHE 184 CO -0.00 -0.30 0.35 0.74 -2.23 0.00 0.00 178.31 176.86 3kzi h PHE 185 N -0.67 0.18 0.12 0.41 -1.00 -0.68 0.48 116.94 115.77 3kzi h PHE 185 Ca -0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 3kzi h PHE 185 Cb 0.50 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.00 3kzi h PHE 185 CO -0.03 0.08 -0.06 0.37 -1.61 0.00 0.00 178.31 177.07 3kzi h GLN 186 N 0.17 -0.15 -0.80 1.51 5.75 -1.03 0.02 115.11 120.57 3kzi h GLN 186 Ca 0.24 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.93 3kzi h GLN 186 Cb 0.71 0.03 -0.14 0.00 1.07 0.00 0.00 27.48 29.15 3kzi h GLN 186 CO -0.04 -0.10 -0.02 0.78 -2.65 0.00 0.00 178.83 176.80 3kzi h GLY 187 N -0.28 0.87 0.44 2.39 0.00 -0.68 0.58 103.07 106.39 3kzi h GLY 187 Ca -0.02 0.14 -0.37 0.00 0.00 0.00 0.00 47.33 47.09 3kzi h GLY 187 CO 0.03 -0.32 -2.08 0.69 0.00 0.00 0.00 176.54 174.85 3kzi n PHE 188 N -5.39 0.95 0.98 5.60 3.72 0.16 -4.53 117.46 118.96 3kzi n PHE 188 Ca 0.15 0.21 0.10 0.00 -0.05 0.00 0.00 57.45 57.86 3kzi n PHE 188 Cb 0.51 -1.12 -0.09 0.00 -0.94 0.00 0.00 39.48 37.84 3kzi n PHE 188 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kzi n HIS 189 N -3.49 0.00 -4.07 1.38 8.25 -0.67 -4.97 115.22 111.65 3kzi n HIS 189 Ca -0.35 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.82 3kzi n HIS 189 Cb 1.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.09 3kzi n HIS 189 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3kzi n ASN 190 N -1.12 -0.93 -0.27 0.41 5.15 0.20 -4.31 115.26 114.39 3kzi n ASN 190 Ca 0.05 -1.04 0.06 0.00 -0.60 0.00 0.00 54.58 53.05 3kzi n ASN 190 Cb 0.36 -2.80 0.30 0.00 -0.53 0.00 0.00 39.78 37.11 3kzi n ASN 190 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3kzi h TRP 191 N -1.74 0.93 -0.07 1.20 -0.00 -1.57 -2.49 115.95 112.21 3kzi h TRP 191 Ca -0.62 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.31 3kzi h TRP 191 Cb 1.38 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 30.23 3kzi h TRP 191 CO 0.53 0.46 0.12 1.79 -0.00 0.00 0.00 178.44 181.34 3kzi h THR 192 N 0.89 0.28 -0.33 2.65 1.35 -1.88 -0.43 112.91 115.45 3kzi h THR 192 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3kzi h THR 192 Cb 0.33 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3kzi h THR 192 CO -0.15 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.01 3kzi n LEU 193 N -3.48 1.87 -4.68 3.87 7.94 -0.94 -4.76 117.00 116.83 3kzi n LEU 193 Ca -0.01 -0.91 -0.40 0.00 -1.11 0.00 0.00 56.01 53.58 3kzi n LEU 193 Cb 0.21 -0.22 -0.05 0.00 0.53 0.00 0.00 43.42 43.89 3kzi n LEU 193 CO 0.23 0.46 0.40 0.21 -1.11 0.00 0.00 177.39 177.58 3kzi s ASN 194 N -1.10 6.78 0.31 1.96 3.84 -0.17 -4.93 114.94 121.64 3kzi s ASN 194 Ca 0.25 0.95 0.08 0.00 0.21 0.00 0.00 52.86 54.36 3kzi s ASN 194 Cb 0.13 -2.37 0.84 0.00 -0.55 0.00 0.00 41.25 39.30 3kzi s ASN 194 CO 0.18 -0.24 1.74 1.55 -2.79 0.00 0.00 177.10 177.54 3kzi h PRO 195 N 7.25 0.59 -0.22 0.43 0.13 -1.90 -0.78 132.00 137.50 3kzi h PRO 195 Ca -0.34 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 3kzi h PRO 195 Cb 1.15 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3kzi h PRO 195 CO 0.78 0.39 -0.54 0.74 -0.23 0.00 0.00 178.00 179.14 3kzi h PHE 196 N 0.61 0.83 -0.51 1.56 -1.00 -1.93 -2.08 116.94 114.43 3kzi h PHE 196 Ca 0.62 -0.29 -0.07 0.00 2.81 0.00 0.00 57.97 61.04 3kzi h PHE 196 Cb 1.14 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 3kzi h PHE 196 CO -0.01 1.06 0.02 1.25 -1.61 0.00 0.00 178.31 179.01 3kzi h HIS 197 N 0.51 0.90 0.26 -0.55 2.76 -1.45 -0.40 115.15 117.17 3kzi h HIS 197 Ca 0.01 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 3kzi h HIS 197 Cb 1.10 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3kzi h HIS 197 CO 0.05 0.82 -0.16 0.52 -1.30 0.00 0.00 177.93 177.86 3kzi h MET 198 N 0.79 -0.40 -0.62 5.26 2.86 -1.13 -0.38 114.93 121.32 3kzi h MET 198 Ca 0.15 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.93 3kzi h MET 198 Cb 0.45 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.12 3kzi h MET 198 CO 0.02 -0.26 0.19 0.52 1.06 0.00 0.00 176.91 178.44 3kzi h MET 199 N -0.41 0.33 -0.18 1.72 2.86 -1.18 0.17 114.93 118.24 3kzi h MET 199 Ca -0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kzi h MET 199 Cb 0.35 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3kzi h MET 199 CO 0.02 0.22 -0.20 0.78 1.06 0.00 0.00 176.91 178.79 3kzi h GLY 200 N 0.34 -1.72 0.86 8.32 0.00 0.20 -0.80 103.07 110.27 3kzi h GLY 200 Ca 0.32 0.85 0.07 0.00 0.00 0.00 0.00 47.33 48.57 3kzi h GLY 200 CO -0.36 -0.55 0.58 -0.24 0.00 0.00 0.00 176.54 175.96 3kzi h VAL 201 N -0.11 1.05 -0.76 4.60 3.04 -0.14 0.09 116.25 124.02 3kzi h VAL 201 Ca 0.03 -0.34 0.13 0.00 -1.01 0.00 0.00 66.70 65.51 3kzi h VAL 201 Cb 0.19 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.40 3kzi h VAL 201 CO -0.23 0.18 0.50 0.00 -1.01 0.00 0.00 177.57 177.01 3kzi h ALA 202 N 1.52 1.97 0.01 3.17 0.00 0.45 0.73 119.26 127.11 3kzi h ALA 202 Ca 0.38 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 3kzi h ALA 202 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kzi h ALA 202 CO -0.14 -0.15 -0.22 0.78 0.00 0.00 0.00 179.25 179.51 3kzi h GLY 203 N 0.53 0.15 0.84 0.00 0.00 0.34 0.30 103.07 105.24 3kzi h GLY 203 Ca 0.36 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3kzi h GLY 203 CO -0.13 0.25 -0.12 -2.08 0.00 0.00 0.00 176.54 174.47 3kzi h VAL 204 N -0.59 1.30 -0.11 4.60 2.07 -0.94 1.27 116.25 123.86 3kzi h VAL 204 Ca -0.03 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3kzi h VAL 204 Cb 1.01 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3kzi h VAL 204 CO 0.04 0.37 -0.01 0.25 0.02 0.00 0.00 177.57 178.24 3kzi h LEU 205 N 0.20 0.19 -1.62 2.57 5.85 0.34 -1.17 115.31 121.68 3kzi h LEU 205 Ca 0.05 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3kzi h LEU 205 Cb 0.62 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3kzi h LEU 205 CO 0.03 0.49 -0.20 1.23 -0.34 0.00 0.00 178.44 179.65 3kzi h GLY 206 N -0.10 0.00 1.58 3.75 0.00 -0.30 -2.73 103.07 105.27 3kzi h GLY 206 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 3kzi h GLY 206 CO 0.01 0.00 -0.97 -1.33 0.00 0.00 0.00 176.54 174.25 3kzi h GLY 207 N 1.10 0.41 1.73 4.60 0.00 0.19 -2.61 103.07 108.48 3kzi h GLY 207 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3kzi h GLY 207 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 176.54 177.24 3kzi n ALA 208 N -2.53 2.07 -0.09 3.60 0.00 -0.46 -1.97 120.51 121.12 3kzi n ALA 208 Ca -0.07 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 3kzi n ALA 208 Cb 0.86 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 3kzi n ALA 208 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kzi h LEU 209 N 0.00 0.00 -0.62 0.00 6.46 -1.26 -3.11 115.31 116.78 3kzi h LEU 209 Ca 0.00 -0.38 0.11 0.00 -0.12 0.00 0.00 57.88 57.49 3kzi h LEU 209 Cb 0.26 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.10 3kzi h LEU 209 CO 0.00 1.24 0.16 -0.07 -0.62 0.00 0.00 178.44 179.15 3kzi h LEU 210 N -1.00 0.06 -0.00 2.25 3.38 -1.39 0.63 115.31 119.24 3kzi h LEU 210 Ca -0.23 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kzi h LEU 210 Cb 1.04 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3kzi h LEU 210 CO -0.14 0.03 -0.10 0.00 0.09 0.00 0.00 178.44 178.33 3kzi h ALA 212 N -1.29 -0.11 -0.68 0.00 0.00 -1.30 -1.91 119.26 113.97 3kzi h ALA 212 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kzi h ALA 212 Cb 0.13 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3kzi h ALA 212 CO -0.07 -0.63 0.44 0.97 0.00 0.00 0.00 179.25 179.96 3kzi h ILE 213 N -0.22 1.12 -0.47 0.00 2.10 0.43 -1.91 117.51 118.56 3kzi h ILE 213 Ca 0.09 -0.30 -0.09 0.00 1.08 0.00 0.00 64.86 65.64 3kzi h ILE 213 Cb 0.35 0.18 -0.02 0.00 -1.09 0.00 0.00 36.82 36.24 3kzi h ILE 213 CO -0.24 0.16 -0.08 -0.74 -1.08 0.00 0.00 178.15 176.18 3kzi h HIS 214 N 0.87 0.98 0.12 2.19 2.76 -0.35 -1.14 115.15 120.58 3kzi h HIS 214 Ca 0.27 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3kzi h HIS 214 Cb -0.03 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 3kzi h HIS 214 CO -0.04 0.95 -0.19 0.78 -1.30 0.00 0.00 177.93 178.14 3kzi h GLY 215 N 0.73 -0.35 1.03 5.26 0.00 -1.05 -1.69 103.07 106.99 3kzi h GLY 215 Ca 0.12 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 3kzi h GLY 215 CO 0.04 -0.18 0.28 0.00 0.00 0.00 0.00 176.54 176.68 3kzi h ALA 216 N 0.44 0.94 -0.80 3.60 0.00 -1.32 -1.85 119.26 120.26 3kzi h ALA 216 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kzi h ALA 216 Cb 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3kzi h ALA 216 CO -0.09 0.56 0.52 1.15 0.00 0.00 0.00 179.25 181.40 3kzi h THR 217 N 1.03 1.01 0.11 0.00 2.02 -0.91 -1.94 112.91 114.23 3kzi h THR 217 Ca 0.24 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3kzi h THR 217 Cb 0.22 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3kzi h THR 217 CO -0.02 0.15 -0.05 0.58 0.37 0.00 0.00 175.52 176.55 3kzi h VAL 218 N 0.83 1.07 -0.05 3.16 2.07 -0.73 -2.96 116.25 119.64 3kzi h VAL 218 Ca 0.35 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3kzi h VAL 218 Cb 0.31 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3kzi h VAL 218 CO -0.13 0.28 0.06 -0.33 0.02 0.00 0.00 177.57 177.46 3kzi h GLU 219 N -0.78 0.00 -0.35 1.57 4.39 -1.14 -2.06 114.58 116.22 3kzi h GLU 219 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kzi h GLU 219 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3kzi h GLU 219 CO 0.02 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.96 3kzi n ASN 220 N -3.87 3.90 -0.34 1.42 3.02 -0.75 -4.26 115.26 114.38 3kzi n ASN 220 Ca -0.02 -2.69 0.04 0.00 -0.03 0.00 0.00 54.58 51.88 3kzi n ASN 220 Cb 0.15 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.89 3kzi n ASN 220 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3kzi n THR 221 N 0.03 0.69 -2.68 3.41 5.66 -0.79 -5.04 114.28 115.57 3kzi n THR 221 Ca 0.20 -0.83 -0.34 0.00 -3.05 0.00 0.00 64.05 60.03 3kzi n THR 221 Cb 0.80 0.23 -0.05 0.00 -1.55 0.00 0.00 70.33 69.76 3kzi n THR 221 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3kzi s LEU 222 N -1.06 3.94 0.58 1.09 1.43 -1.14 0.39 118.68 123.91 3kzi s LEU 222 Ca 0.12 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 54.97 3kzi s LEU 222 Cb 0.10 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 3kzi s LEU 222 CO 0.01 -0.53 0.93 -0.36 0.23 0.00 0.00 176.35 176.62 3kzi s PHE 223 N -2.03 3.44 -0.29 0.29 0.08 -1.07 -4.81 117.98 113.59 3kzi s PHE 223 Ca 0.63 0.90 -0.16 0.00 0.12 0.00 0.00 56.93 58.42 3kzi s PHE 223 Cb -0.14 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 3kzi s PHE 223 CO 0.18 -0.69 0.43 -1.14 -0.10 0.00 0.00 175.22 173.89 3kzi s GLN 224 N -5.02 3.93 -0.06 0.44 0.74 -1.26 -4.87 119.66 113.55 3kzi s GLN 224 Ca 0.53 0.04 0.09 0.00 0.05 0.00 0.00 55.36 56.07 3kzi s GLN 224 Cb -0.11 -3.69 0.14 0.00 1.10 0.00 0.00 33.01 30.45 3kzi s GLN 224 CO 0.48 -0.38 1.02 -0.25 -0.55 0.00 0.00 175.29 175.62 3kzi n ASP 225 N 5.45 1.69 -3.60 6.67 9.92 -1.26 -5.05 116.55 130.37 3kzi n ASP 225 Ca -0.07 -2.42 -0.10 0.00 -0.53 0.00 0.00 54.79 51.67 3kzi n ASP 225 Cb 0.50 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 3kzi n ASP 225 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3kzi s GLY 226 N -1.79 0.68 0.00 0.44 0.00 -1.26 -4.79 107.32 100.60 3kzi s GLY 226 Ca 0.15 -0.96 0.16 0.00 0.00 0.00 0.00 44.72 44.07 3kzi s GLY 226 CO 0.01 -0.61 0.94 1.18 0.00 0.00 0.00 173.10 174.63 3kzi n GLU 227 N -0.46 1.39 -2.38 2.90 -0.58 -1.26 -5.00 120.64 115.25 3kzi n GLU 227 Ca -0.02 -1.23 -0.25 0.00 -0.42 0.00 0.00 57.16 55.24 3kzi n GLU 227 Cb 0.61 -1.28 0.09 0.00 -0.57 0.00 0.00 31.44 30.28 3kzi n GLU 227 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kzi s GLY 228 N -1.49 1.75 -0.15 0.62 0.00 -1.26 -5.02 107.32 101.77 3kzi s GLY 228 Ca 0.17 -1.27 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 3kzi s GLY 228 CO 0.26 -0.81 0.37 0.00 0.00 0.00 0.00 173.10 172.92 3kzi h ALA 229 N -0.55 0.27 -0.76 3.20 0.00 -2.06 -3.40 119.26 115.95 3kzi h ALA 229 Ca -0.42 -1.20 -0.35 0.00 0.00 0.00 0.00 54.91 52.94 3kzi h ALA 229 Cb 1.29 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 3kzi h ALA 229 CO 0.50 0.87 0.91 -1.12 0.00 0.00 0.00 179.25 180.41 3kzi s SER 230 N -6.93 5.38 0.00 0.00 0.01 -1.26 -4.79 113.70 106.11 3kzi s SER 230 Ca -0.24 -0.91 0.10 0.00 1.31 0.00 0.00 55.95 56.22 3kzi s SER 230 Cb 0.05 -2.56 0.63 0.00 0.21 0.00 0.00 66.02 64.35 3kzi s SER 230 CO 0.69 -2.54 1.05 0.35 0.41 0.00 0.00 173.24 173.20 3kzi n THR 231 N 7.69 0.00 -0.09 1.44 -2.24 -1.26 -3.76 114.28 116.06 3kzi n THR 231 Ca 0.39 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.07 3kzi n THR 231 Cb 0.48 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3kzi n THR 231 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3kzi h PHE 232 N 0.00 0.43 -0.27 4.78 0.04 -1.97 -2.87 116.94 117.08 3kzi h PHE 232 Ca 0.00 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.74 3kzi h PHE 232 Cb 0.00 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3kzi h PHE 232 CO 0.00 0.45 0.18 0.00 -0.60 0.00 0.00 178.31 178.34 3kzi h ARG 233 N 0.28 0.33 -0.38 1.51 3.08 -2.00 -3.08 114.38 114.11 3kzi h ARG 233 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kzi h ARG 233 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kzi h ARG 233 CO -0.00 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3kzi n ALA 234 N -2.50 1.23 -2.80 0.04 0.00 -1.08 -4.77 120.51 110.62 3kzi n ALA 234 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 3kzi n ALA 234 Cb 0.09 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 3kzi n ALA 234 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kzi s PHE 235 N -0.71 3.12 -0.83 0.00 5.36 -1.17 -4.68 117.98 119.08 3kzi s PHE 235 Ca 0.00 -0.01 -0.23 0.00 -0.96 0.00 0.00 56.93 55.72 3kzi s PHE 235 Cb 0.00 -1.90 0.06 0.00 -0.34 0.00 0.00 43.02 40.84 3kzi s PHE 235 CO 0.00 0.22 1.23 0.54 -1.46 0.00 0.00 175.22 175.75 3kzi s ASN 236 N -0.20 6.33 0.64 6.13 4.22 -1.26 -4.85 114.94 125.95 3kzi s ASN 236 Ca 0.05 -1.12 0.33 0.00 -2.14 0.00 0.00 52.86 49.98 3kzi s ASN 236 Cb -0.13 -2.50 1.84 0.00 1.28 0.00 0.00 41.25 41.75 3kzi s ASN 236 CO 0.02 -1.52 2.10 1.55 -2.04 0.00 0.00 177.10 177.20 3kzi h PRO 237 N 9.66 0.00 -3.64 3.55 0.13 -1.97 -3.24 132.00 136.48 3kzi h PRO 237 Ca -0.08 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.27 3kzi h PRO 237 Cb 1.04 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.89 3kzi h PRO 237 CO 1.27 0.00 0.20 0.99 -0.23 0.00 0.00 178.00 180.23 3kzi s THR 238 N -4.32 5.53 0.00 1.56 2.01 -1.26 -5.06 115.64 114.10 3kzi s THR 238 Ca -0.04 -3.07 0.00 0.00 0.31 0.00 0.00 61.69 58.89 3kzi s THR 238 Cb 0.12 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.25 3kzi s THR 238 CO 0.41 -1.09 0.00 0.00 -0.69 0.00 0.00 174.62 173.25 3kzi n GLN 239 N 3.21 0.00 0.00 4.92 6.02 -1.23 -4.92 117.38 125.39 3kzi n GLN 239 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3kzi n GLN 239 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 3kzi n GLN 239 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kzi n ALA 240 N 0.00 0.00 -1.23 -1.58 0.00 -1.26 -4.87 120.51 111.58 3kzi n ALA 240 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kzi n ALA 240 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3kzi n ALA 240 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kzi s GLU 241 N 0.00 2.01 0.24 0.00 8.01 -1.26 -4.96 118.70 122.74 3kzi s GLU 241 Ca 0.00 1.58 -0.30 0.00 0.01 0.00 0.00 54.97 56.26 3kzi s GLU 241 Cb 0.00 -1.84 -0.10 0.00 -4.31 0.00 0.00 34.13 27.89 3kzi s GLU 241 CO 0.00 -1.89 1.42 -1.83 0.01 0.00 0.00 175.26 172.97 3kzi s GLU 242 N -4.22 4.29 0.02 1.61 -1.05 -1.26 -4.90 118.70 113.18 3kzi s GLU 242 Ca 0.70 2.26 0.26 0.00 -0.15 0.00 0.00 54.97 58.04 3kzi s GLU 242 Cb -0.25 -3.13 1.10 0.00 -0.44 0.00 0.00 34.13 31.42 3kzi s GLU 242 CO 0.49 -0.39 1.84 -2.37 0.95 0.00 0.00 175.26 175.78 3kzi n THR 243 N 2.44 0.22 -4.01 1.83 5.66 -1.26 -4.81 114.28 114.35 3kzi n THR 243 Ca 0.07 0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 3kzi n THR 243 Cb 0.41 -0.59 -0.11 0.00 -1.55 0.00 0.00 70.33 68.48 3kzi n THR 243 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3kzi s TYR 244 N -3.01 0.40 -0.92 1.09 -0.85 -1.26 -2.61 117.35 110.18 3kzi s TYR 244 Ca 0.12 -0.54 -0.24 0.00 -0.52 0.00 0.00 57.07 55.89 3kzi s TYR 244 Cb 0.17 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 3kzi s TYR 244 CO 0.49 -0.16 1.80 0.45 -1.52 0.00 0.00 175.55 176.61 3kzi s SER 245 N -1.56 5.52 0.49 -0.18 0.15 0.16 -4.79 113.70 113.50 3kzi s SER 245 Ca -0.13 -0.86 0.16 0.00 0.70 0.00 0.00 55.95 55.82 3kzi s SER 245 Cb -0.09 -2.56 1.20 0.00 -1.71 0.00 0.00 66.02 62.85 3kzi s SER 245 CO -0.01 -2.40 2.09 -0.03 1.20 0.00 0.00 173.24 174.10 3kzi h MET 246 N 10.97 0.13 -0.16 5.44 4.05 -1.96 -0.88 114.93 132.53 3kzi h MET 246 Ca 0.11 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.38 3kzi h MET 246 Cb 1.01 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 3kzi h MET 246 CO 1.27 0.09 -0.53 0.28 0.23 0.00 0.00 176.91 178.25 3kzi h VAL 247 N 0.14 1.33 -0.08 -5.77 2.07 -1.98 -2.34 116.25 109.62 3kzi h VAL 247 Ca 0.09 -1.78 -0.17 0.00 0.82 0.00 0.00 66.70 65.66 3kzi h VAL 247 Cb 0.20 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3kzi h VAL 247 CO -0.01 0.55 -0.62 0.74 0.02 0.00 0.00 177.57 178.25 3kzi h THR 248 N 0.36 1.36 -0.12 2.57 2.02 -1.64 -3.06 112.91 114.39 3kzi h THR 248 Ca 0.01 -1.94 0.04 0.00 0.77 0.00 0.00 66.41 65.29 3kzi h THR 248 Cb 1.04 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 69.67 3kzi h THR 248 CO 0.09 0.59 -0.16 0.00 0.37 0.00 0.00 175.52 176.41 3kzi h ALA 249 N 0.44 -0.09 -0.57 6.16 0.00 -1.19 -0.38 119.26 123.64 3kzi h ALA 249 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3kzi h ALA 249 Cb 1.27 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 3kzi h ALA 249 CO 0.13 -0.62 -0.18 -0.97 0.00 0.00 0.00 179.25 177.61 3kzi h ASN 250 N -0.21 -0.65 -0.43 0.00 -0.73 -1.44 -1.29 115.58 110.83 3kzi h ASN 250 Ca 0.09 0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.37 3kzi h ASN 250 Cb 0.34 0.40 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 3kzi h ASN 250 CO -0.24 -0.22 0.03 -0.09 -0.37 0.00 0.00 177.43 176.53 3kzi h ARG 251 N -0.04 0.82 0.00 6.67 2.43 -1.28 -0.58 114.38 122.40 3kzi h ARG 251 Ca 0.27 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3kzi h ARG 251 Cb 0.45 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kzi h ARG 251 CO -0.60 0.80 0.00 0.34 -1.51 0.00 0.00 179.97 179.00 3kzi n PHE 252 N -4.22 0.00 -0.30 2.20 7.35 -0.22 -2.31 117.46 119.96 3kzi n PHE 252 Ca 0.03 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.85 3kzi n PHE 252 Cb 0.29 -0.34 0.37 0.00 0.35 0.00 0.00 39.48 40.15 3kzi n PHE 252 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3kzi h TRP 253 N 0.00 0.88 0.00 -5.13 4.06 -1.52 0.29 115.95 114.53 3kzi h TRP 253 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3kzi h TRP 253 Cb 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 27.89 3kzi h TRP 253 CO -0.03 0.27 0.00 0.77 -3.56 0.00 0.00 178.44 175.89 3kzi h SER 254 N 0.69 0.00 0.00 -3.49 0.02 -0.97 0.61 113.55 110.42 3kzi h SER 254 Ca 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.42 3kzi h SER 254 Cb 0.86 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3kzi h SER 254 CO -0.26 0.00 -1.53 0.00 -1.14 0.00 0.00 176.83 173.89 3kzi n GLN 255 N -2.45 0.68 -0.10 3.45 6.02 0.94 -3.75 117.38 122.17 3kzi n GLN 255 Ca -0.02 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 3kzi n GLN 255 Cb 0.05 -1.26 -0.16 0.00 1.02 0.00 0.00 30.24 29.89 3kzi n GLN 255 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3kzi n ILE 256 N -1.97 1.40 -0.02 5.09 0.13 -0.68 -4.62 119.36 118.70 3kzi n ILE 256 Ca -0.05 -0.84 0.01 0.00 -1.10 0.00 0.00 62.75 60.78 3kzi n ILE 256 Cb 0.38 -0.55 -0.05 0.00 -0.84 0.00 0.00 39.64 38.58 3kzi n ILE 256 CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 3kzi n PHE 257 N -2.80 0.00 0.00 9.51 7.35 0.11 -5.01 117.46 126.62 3kzi n PHE 257 Ca -0.34 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.35 3kzi n PHE 257 Cb 1.14 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 40.74 3kzi n PHE 257 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kzi n GLY 258 N 2.28 3.22 3.24 7.13 0.00 -0.59 -5.00 105.19 115.47 3kzi n GLY 258 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3kzi n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kzi s ILE 259 N -2.83 1.51 -0.19 -0.61 1.09 -1.25 -4.79 121.20 114.12 3kzi s ILE 259 Ca 0.00 -1.39 -0.28 0.00 -1.10 0.00 0.00 60.65 57.89 3kzi s ILE 259 Cb 0.00 -1.38 0.09 0.00 -1.06 0.00 0.00 42.46 40.12 3kzi s ILE 259 CO 0.00 -0.05 0.84 0.00 -0.10 0.00 0.00 174.94 175.63 3kzi s ALA 260 N -1.10 -1.86 1.42 9.38 0.00 -1.26 -4.03 121.76 124.31 3kzi s ALA 260 Ca 0.04 1.71 -0.23 0.00 0.00 0.00 0.00 51.96 53.48 3kzi s ALA 260 Cb -0.10 -0.82 0.36 0.00 0.00 0.00 0.00 23.12 22.56 3kzi s ALA 260 CO 0.03 -0.32 0.83 1.19 0.00 0.00 0.00 175.76 177.50 3kzi n PHE 261 N 1.68 -3.50 0.00 0.00 3.72 -1.26 -4.94 117.46 113.15 3kzi n PHE 261 Ca -0.14 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 3kzi n PHE 261 Cb 0.56 -1.37 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 3kzi n PHE 261 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kzi n SER 262 N -5.33 0.00 -2.67 4.37 3.41 -1.26 -4.64 113.62 107.50 3kzi n SER 262 Ca 0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.69 3kzi n SER 262 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 3kzi n SER 262 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kzi n ASN 263 N 0.00 -1.43 -0.47 4.04 2.85 -1.26 -5.03 115.26 113.96 3kzi n ASN 263 Ca 0.00 -1.71 0.36 0.00 -0.11 0.00 0.00 54.58 53.12 3kzi n ASN 263 Cb 0.00 0.78 0.56 0.00 1.24 0.00 0.00 39.78 42.36 3kzi n ASN 263 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3kzi n LYS 264 N 1.74 -0.00 -0.21 1.20 5.02 -1.26 0.18 118.16 124.83 3kzi n LYS 264 Ca 0.04 0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 56.99 3kzi n LYS 264 Cb 0.69 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3kzi n LYS 264 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kzi h ARG 265 N 0.00 1.08 0.04 1.97 3.08 -1.99 -1.78 114.38 116.77 3kzi h ARG 265 Ca 0.64 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 60.21 3kzi h ARG 265 Cb 2.53 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 32.51 3kzi h ARG 265 CO -0.04 1.06 -0.54 2.35 -1.07 0.00 0.00 179.97 181.73 3kzi h TRP 266 N 0.98 0.46 -0.90 3.04 2.91 0.16 -2.45 115.95 120.16 3kzi h TRP 266 Ca 0.17 -0.28 0.17 0.00 1.13 0.00 0.00 58.89 60.08 3kzi h TRP 266 Cb 0.59 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.13 3kzi h TRP 266 CO 0.04 1.13 0.58 1.25 -1.03 0.00 0.00 178.44 180.42 3kzi h LEU 267 N -0.33 0.57 0.08 0.65 6.46 -1.35 0.19 115.31 121.58 3kzi h LEU 267 Ca -0.08 0.05 -0.27 0.00 -0.12 0.00 0.00 57.88 57.46 3kzi h LEU 267 Cb 1.31 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 3kzi h LEU 267 CO 0.10 0.26 -1.30 0.45 -0.62 0.00 0.00 178.44 177.34 3kzi h HIS 268 N 0.59 0.32 -0.51 1.25 3.86 -1.37 -3.09 115.15 116.20 3kzi h HIS 268 Ca 0.46 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 59.33 3kzi h HIS 268 Cb 0.89 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 3kzi h HIS 268 CO -0.00 1.22 -0.12 0.35 0.86 0.00 0.00 177.93 180.24 3kzi h PHE 269 N 0.05 1.11 -0.76 2.45 3.57 -0.77 -2.68 116.94 119.90 3kzi h PHE 269 Ca -0.15 -0.24 0.13 0.00 3.53 0.00 0.00 57.97 61.24 3kzi h PHE 269 Cb 1.94 -0.27 -0.09 0.00 2.79 0.00 0.00 35.95 40.32 3kzi h PHE 269 CO 0.04 1.05 0.35 0.35 -2.23 0.00 0.00 178.31 177.87 3kzi h PHE 270 N 0.85 0.61 0.00 0.41 3.57 -0.74 0.51 116.94 122.16 3kzi h PHE 270 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3kzi h PHE 270 Cb 0.69 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3kzi h PHE 270 CO 0.05 0.14 0.00 0.52 -2.23 0.00 0.00 178.31 176.79 3kzi h MET 271 N 0.54 0.00 0.00 1.11 2.86 -1.39 -0.86 114.93 117.19 3kzi h MET 271 Ca 0.41 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.95 3kzi h MET 271 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3kzi h MET 271 CO -0.35 0.00 -0.57 1.25 1.06 0.00 0.00 176.91 178.30 3kzi h LEU 272 N 0.00 0.00 0.18 1.22 6.46 -0.83 -3.41 115.31 118.93 3kzi h LEU 272 Ca 0.00 -0.61 0.01 0.00 -0.12 0.00 0.00 57.88 57.16 3kzi h LEU 272 Cb 0.19 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3kzi h LEU 272 CO 0.00 1.13 -0.50 0.15 -0.62 0.00 0.00 178.44 178.60 3kzi h PHE 273 N -1.00 -1.44 -0.34 1.25 3.57 -0.72 -2.93 116.94 115.32 3kzi h PHE 273 Ca -0.14 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3kzi h PHE 273 Cb 0.99 0.61 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 3kzi h PHE 273 CO 0.13 -0.60 -0.41 0.28 -2.23 0.00 0.00 178.31 175.49 3kzi h VAL 274 N -0.77 0.00 0.00 1.41 2.07 -1.40 0.31 116.25 117.87 3kzi h VAL 274 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3kzi h VAL 274 Cb 0.76 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kzi h VAL 274 CO -0.25 0.00 -0.18 1.55 0.02 0.00 0.00 177.57 178.71 3kzi h PRO 275 N -0.26 0.00 0.05 1.57 0.13 -1.71 -2.03 132.00 129.75 3kzi h PRO 275 Ca 0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.95 3kzi h PRO 275 Cb 0.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 3kzi h PRO 275 CO -0.46 0.18 -1.04 0.28 -0.23 0.00 0.00 178.00 176.73 3kzi h VAL 276 N 0.00 1.48 -0.22 1.56 2.07 -1.27 -2.74 116.25 117.12 3kzi h VAL 276 Ca -0.00 -2.77 -0.16 0.00 0.82 0.00 0.00 66.70 64.59 3kzi h VAL 276 Cb 0.80 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3kzi h VAL 276 CO 0.02 0.81 -0.50 0.74 0.02 0.00 0.00 177.57 178.66 3kzi h THR 277 N 0.13 1.30 0.20 2.57 2.02 -0.91 -2.28 112.91 115.95 3kzi h THR 277 Ca -0.09 -1.72 0.01 0.00 0.77 0.00 0.00 66.41 65.39 3kzi h THR 277 Cb 1.72 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.91 3kzi h THR 277 CO 0.17 0.54 -0.33 1.23 0.37 0.00 0.00 175.52 177.50 3kzi h GLY 278 N 0.45 -0.69 1.78 2.16 0.00 -1.39 -1.16 103.07 104.22 3kzi h GLY 278 Ca -0.00 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3kzi h GLY 278 CO 0.11 -0.26 0.13 1.41 0.00 0.00 0.00 176.54 177.92 3kzi h LEU 279 N -0.61 0.25 -0.53 3.11 -0.00 -1.52 -1.51 115.31 114.51 3kzi h LEU 279 Ca 0.01 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 3kzi h LEU 279 Cb 0.61 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 3kzi h LEU 279 CO -0.15 0.20 0.04 -0.50 -0.00 0.00 0.00 178.44 178.03 3kzi h TRP 280 N 0.30 0.97 -0.30 1.13 4.06 -0.73 -2.32 115.95 119.06 3kzi h TRP 280 Ca 0.08 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 3kzi h TRP 280 Cb -0.00 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 27.88 3kzi h TRP 280 CO 0.00 0.88 0.07 0.52 -3.56 0.00 0.00 178.44 176.35 3kzi h MET 281 N 0.78 0.48 -0.11 0.49 2.86 -0.43 -2.05 114.93 116.95 3kzi h MET 281 Ca 0.15 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3kzi h MET 281 Cb 0.47 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kzi h MET 281 CO 0.02 0.57 0.12 0.66 1.06 0.00 0.00 176.91 179.34 3kzi h SER 282 N 0.32 0.00 0.14 1.22 4.64 -1.15 -2.18 113.55 116.54 3kzi h SER 282 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3kzi h SER 282 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kzi h SER 282 CO 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.90 3kzi h ALA 283 N 1.86 -0.18 -0.64 5.18 0.00 -0.81 -3.08 119.26 121.60 3kzi h ALA 283 Ca 0.05 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.85 3kzi h ALA 283 Cb 0.29 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3kzi h ALA 283 CO -0.00 -0.31 0.08 0.82 0.00 0.00 0.00 179.25 179.84 3kzi h ILE 284 N -0.77 0.54 -0.89 0.00 2.04 -1.08 0.15 117.51 117.50 3kzi h ILE 284 Ca -0.02 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 65.93 3kzi h ILE 284 Cb 0.54 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 3kzi h ILE 284 CO 0.03 0.04 0.48 1.23 0.00 0.00 0.00 178.15 179.93 3kzi h GLY 285 N 0.19 1.49 1.30 5.37 0.00 -1.43 -1.29 103.07 108.69 3kzi h GLY 285 Ca 0.34 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 3kzi h GLY 285 CO -0.48 -0.05 -0.81 -2.08 0.00 0.00 0.00 176.54 173.12 3kzi h VAL 286 N 0.66 1.31 -0.21 4.60 2.07 -0.92 -2.24 116.25 121.52 3kzi h VAL 286 Ca 0.49 -2.07 0.06 0.00 0.82 0.00 0.00 66.70 66.00 3kzi h VAL 286 Cb 0.72 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3kzi h VAL 286 CO -0.37 0.65 0.22 0.58 0.02 0.00 0.00 177.57 178.67 3kzi h VAL 287 N 0.45 0.50 0.00 2.57 2.07 0.28 0.34 116.25 122.45 3kzi h VAL 287 Ca -0.06 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.23 3kzi h VAL 287 Cb 1.43 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3kzi h VAL 287 CO 0.16 0.00 -1.23 1.23 0.02 0.00 0.00 177.57 177.75 3kzi h GLY 288 N 0.00 0.00 2.00 2.17 0.00 -1.01 -3.26 103.07 102.97 3kzi h GLY 288 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3kzi h GLY 288 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3kzi n LEU 289 N -3.21 0.68 0.01 3.11 4.77 0.11 -0.87 117.00 121.60 3kzi n LEU 289 Ca -0.06 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 3kzi n LEU 289 Cb 0.96 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3kzi n LEU 289 CO 0.46 -0.44 0.83 0.00 -1.33 0.00 0.00 177.39 176.90 3kzi h ALA 290 N 2.36 0.06 -0.02 -1.18 0.00 -1.33 -1.56 119.26 117.58 3kzi h ALA 290 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kzi h ALA 290 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kzi h ALA 290 CO 0.00 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.16 3kzi n LEU 291 N -4.99 0.22 -0.16 0.00 7.99 -1.09 -4.02 117.00 114.95 3kzi n LEU 291 Ca -0.06 -0.09 -0.02 0.00 -0.01 0.00 0.00 56.01 55.82 3kzi n LEU 291 Cb 0.09 -0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.38 3kzi n LEU 291 CO 0.34 0.05 -0.02 0.59 -1.51 0.00 0.00 177.39 176.83 3kzi n ASN 292 N -0.61 -4.62 -3.53 -1.43 4.13 -0.59 -4.87 115.26 103.74 3kzi n ASN 292 Ca 0.13 0.05 -0.38 0.00 1.68 0.00 0.00 54.58 56.05 3kzi n ASN 292 Cb 0.09 -2.31 -0.03 0.00 -1.54 0.00 0.00 39.78 36.00 3kzi n ASN 292 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kzi n LEU 293 N -0.24 5.55 -4.95 3.41 4.77 -0.05 -4.89 117.00 120.59 3kzi n LEU 293 Ca -0.02 -3.41 -0.28 0.00 -0.03 0.00 0.00 56.01 52.27 3kzi n LEU 293 Cb 0.30 -1.31 0.16 0.00 -2.33 0.00 0.00 43.42 40.23 3kzi n LEU 293 CO 0.03 0.51 0.78 0.00 -1.33 0.00 0.00 177.39 177.37 3kzi s ARG 294 N 3.88 0.98 -0.73 3.23 1.70 -1.26 -4.47 118.95 122.29 3kzi s ARG 294 Ca 0.52 -0.62 0.03 0.00 -0.47 0.00 0.00 55.73 55.19 3kzi s ARG 294 Cb 0.14 -2.00 0.34 0.00 -0.57 0.00 0.00 34.95 32.86 3kzi s ARG 294 CO 0.01 -2.10 1.31 0.45 -1.08 0.00 0.00 175.30 173.89 3kzi n SER 295 N -3.47 5.61 -0.02 -2.89 2.88 -1.26 -4.87 113.62 109.60 3kzi n SER 295 Ca 0.15 -3.70 -0.13 0.00 -1.33 0.00 0.00 58.87 53.86 3kzi n SER 295 Cb 0.60 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 63.18 3kzi n SER 295 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3kzi h TYR 296 N 3.34 0.07 -3.27 0.66 3.20 -1.84 -3.41 116.97 115.73 3kzi h TYR 296 Ca 0.30 -0.02 -0.43 0.00 3.14 0.00 0.00 58.73 61.72 3kzi h TYR 296 Cb 0.45 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.57 3kzi h TYR 296 CO 1.02 0.57 -0.60 0.16 -1.64 0.00 0.00 178.16 177.67 3kzi s ASP 297 N -5.81 1.88 -0.25 -2.11 1.47 -1.26 -4.94 116.67 105.65 3kzi s ASP 297 Ca -0.16 -1.42 0.02 0.00 1.18 0.00 0.00 52.55 52.17 3kzi s ASP 297 Cb 0.02 0.11 0.05 0.00 -0.34 0.00 0.00 42.92 42.76 3kzi s ASP 297 CO 0.69 -0.71 -0.11 -0.36 0.68 0.00 0.00 175.17 175.36 3kzi s PHE 298 N -3.49 3.20 0.21 2.11 0.08 -1.26 -5.03 117.98 113.80 3kzi s PHE 298 Ca 0.36 -2.20 -0.10 0.00 0.12 0.00 0.00 56.93 55.10 3kzi s PHE 298 Cb 0.08 -1.94 0.16 0.00 -0.57 0.00 0.00 43.02 40.74 3kzi s PHE 298 CO 0.15 -0.86 1.88 0.82 -0.10 0.00 0.00 175.22 177.10 3kzi h ILE 299 N 6.64 1.19 -0.65 0.64 2.04 -2.00 -2.26 117.51 123.11 3kzi h ILE 299 Ca -0.23 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.39 3kzi h ILE 299 Cb 1.06 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3kzi h ILE 299 CO 0.49 0.18 0.43 0.77 0.00 0.00 0.00 178.15 180.03 3kzi h SER 300 N 1.01 0.42 -0.10 1.72 4.64 -2.00 -1.64 113.55 117.61 3kzi h SER 300 Ca 0.28 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 3kzi h SER 300 Cb -0.11 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3kzi h SER 300 CO -0.06 0.25 -0.04 1.56 -0.87 0.00 0.00 176.83 177.67 3kzi h GLN 301 N 0.47 0.21 -0.75 4.77 1.08 -1.85 -2.81 115.11 116.22 3kzi h GLN 301 Ca 0.30 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 3kzi h GLN 301 Cb 0.55 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3kzi h GLN 301 CO -0.09 0.55 0.39 0.93 -0.95 0.00 0.00 178.83 179.65 3kzi h GLU 302 N -0.14 1.06 -0.46 1.46 4.39 -1.09 -1.18 114.58 118.62 3kzi h GLU 302 Ca 0.02 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3kzi h GLU 302 Cb 0.48 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3kzi h GLU 302 CO 0.01 0.81 0.22 0.82 -1.16 0.00 0.00 179.01 179.72 3kzi h ILE 303 N 1.04 1.18 -0.11 3.13 2.04 -1.37 -1.48 117.51 121.94 3kzi h ILE 303 Ca 0.26 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3kzi h ILE 303 Cb 0.08 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3kzi h ILE 303 CO -0.04 0.20 -0.40 -0.09 0.00 0.00 0.00 178.15 177.83 3kzi h ARG 304 N 0.60 0.24 0.00 2.37 2.43 -1.24 -2.78 114.38 116.01 3kzi h ARG 304 Ca 0.16 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3kzi h ARG 304 Cb 0.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3kzi h ARG 304 CO -0.02 0.60 -0.38 0.00 -1.51 0.00 0.00 179.97 178.67 3kzi h ALA 305 N 1.39 1.15 0.37 2.80 0.00 -0.92 -0.16 119.26 123.88 3kzi h ALA 305 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3kzi h ALA 305 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kzi h ALA 305 CO 0.06 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 3kzi h ALA 306 N 1.62 -0.49 -0.46 0.00 0.00 -1.01 -3.34 119.26 115.58 3kzi h ALA 306 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3kzi h ALA 306 Cb 0.78 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kzi h ALA 306 CO 0.05 -0.50 -0.10 0.93 0.00 0.00 0.00 179.25 179.63 3kzi h GLU 307 N -1.05 0.84 -4.73 0.00 5.08 -1.53 -3.41 114.58 109.78 3kzi h GLU 307 Ca -0.05 -0.28 -0.68 0.00 -1.00 0.00 0.00 59.36 57.35 3kzi h GLU 307 Cb 0.48 -0.07 -0.34 0.00 0.50 0.00 0.00 28.75 29.33 3kzi h GLU 307 CO 0.08 0.90 -0.69 0.34 -1.00 0.00 0.00 179.01 178.65 3kzi s ASP 308 N -6.68 4.91 0.00 1.42 2.15 -0.08 -4.99 116.67 113.40 3kzi s ASP 308 Ca -0.10 -1.47 0.15 0.00 0.43 0.00 0.00 52.55 51.56 3kzi s ASP 308 Cb 0.14 -1.71 0.84 0.00 -0.30 0.00 0.00 42.92 41.89 3kzi s ASP 308 CO 0.83 -0.31 1.35 -2.65 -0.17 0.00 0.00 175.17 174.22 3kzi n PRO 309 N 4.58 0.38 -0.01 4.34 -0.02 -1.26 -3.04 135.00 139.97 3kzi n PRO 309 Ca -0.10 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 3kzi n PRO 309 Cb 0.43 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.47 3kzi n PRO 309 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kzi n GLU 310 N -1.10 0.95 -2.81 -0.52 1.02 -1.26 -4.93 120.64 111.99 3kzi n GLU 310 Ca 0.10 -1.34 -0.42 0.00 -0.02 0.00 0.00 57.16 55.48 3kzi n GLU 310 Cb 0.07 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 3kzi n GLU 310 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kzi s PHE 311 N -1.11 3.19 -0.04 -0.32 5.36 -1.17 -5.02 117.98 118.87 3kzi s PHE 311 Ca 0.16 1.00 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 3kzi s PHE 311 Cb 0.11 -3.42 0.03 0.00 -0.34 0.00 0.00 43.02 39.41 3kzi s PHE 311 CO 0.17 -0.65 0.05 -2.00 -1.46 0.00 0.00 175.22 171.33 3kzi s GLU 312 N 3.25 -0.01 0.35 10.12 2.12 -1.26 -4.86 118.70 128.40 3kzi s GLU 312 Ca 0.38 0.31 0.09 0.00 0.36 0.00 0.00 54.97 56.12 3kzi s GLU 312 Cb -0.13 -0.48 -0.07 0.00 0.26 0.00 0.00 34.13 33.71 3kzi s GLU 312 CO 0.13 -0.29 -0.09 0.95 -0.54 0.00 0.00 175.26 175.43 3kzi s THR 313 N 1.89 2.21 -0.76 -1.70 -4.23 -1.26 -4.99 115.64 106.79 3kzi s THR 313 Ca 0.01 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.44 3kzi s THR 313 Cb -0.12 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.14 3kzi s THR 313 CO -0.03 -0.18 1.33 0.49 -0.54 0.00 0.00 174.62 175.68 3kzi n PHE 314 N -0.81 0.25 -0.04 3.99 3.72 -1.26 -2.27 117.46 121.05 3kzi n PHE 314 Ca -0.05 0.12 -0.08 0.00 -0.05 0.00 0.00 57.45 57.39 3kzi n PHE 314 Cb 0.64 -0.69 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 3kzi n PHE 314 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3kzi h TYR 315 N 0.00 -0.04 -0.69 1.38 3.20 -2.00 -3.03 116.97 115.79 3kzi h TYR 315 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3kzi h TYR 315 Cb 0.10 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3kzi h TYR 315 CO 0.00 0.49 0.33 1.79 -1.64 0.00 0.00 178.16 179.13 3kzi h THR 316 N -0.97 0.82 -0.52 1.81 1.35 -1.85 -1.26 112.91 112.29 3kzi h THR 316 Ca -0.00 -0.19 0.11 0.00 -0.55 0.00 0.00 66.41 65.77 3kzi h THR 316 Cb 0.55 0.22 -0.10 0.00 -1.73 0.00 0.00 68.15 67.09 3kzi h THR 316 CO 0.01 0.10 -0.09 0.11 -0.25 0.00 0.00 175.52 175.40 3kzi h LYS 317 N 0.56 0.04 -0.16 4.72 1.57 -1.56 -2.44 116.57 119.29 3kzi h LYS 317 Ca 0.35 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.13 3kzi h LYS 317 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3kzi h LYS 317 CO -0.28 0.02 0.08 -0.91 -0.57 0.00 0.00 179.45 177.79 3kzi h ASN 318 N 0.04 0.12 -0.91 0.86 2.35 -1.11 -2.49 115.58 114.43 3kzi h ASN 318 Ca 0.26 0.01 0.19 0.00 -0.55 0.00 0.00 56.30 56.21 3kzi h ASN 318 Cb 0.40 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 3kzi h ASN 318 CO -0.51 0.09 0.59 -0.07 -1.65 0.00 0.00 177.43 175.89 3kzi h LEU 319 N 0.17 0.49 -0.84 1.61 3.38 -0.94 0.46 115.31 119.64 3kzi h LEU 319 Ca 0.06 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3kzi h LEU 319 Cb 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kzi h LEU 319 CO -0.04 0.20 -0.39 -0.07 0.09 0.00 0.00 178.44 178.23 3kzi h LEU 320 N 0.49 0.41 -0.83 1.67 3.38 -1.22 -1.87 115.31 117.35 3kzi h LEU 320 Ca 0.48 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3kzi h LEU 320 Cb 1.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3kzi h LEU 320 CO -0.21 0.76 0.10 -0.07 0.09 0.00 0.00 178.44 179.12 3kzi h LEU 321 N 0.33 0.93 -0.25 1.67 3.38 0.07 -2.54 115.31 118.90 3kzi h LEU 321 Ca 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3kzi h LEU 321 Cb 0.83 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3kzi h LEU 321 CO 0.07 0.93 0.13 0.78 0.09 0.00 0.00 178.44 180.44 3kzi h ASN 322 N 0.93 0.32 -0.83 -0.43 2.35 -0.72 -1.82 115.58 115.38 3kzi h ASN 322 Ca 0.19 -0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.00 3kzi h ASN 322 Cb 0.40 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.59 3kzi h ASN 322 CO 0.01 0.32 0.39 -0.33 -1.65 0.00 0.00 177.43 176.17 3kzi h GLU 323 N 0.29 0.53 -0.41 0.81 3.07 -1.10 0.74 114.58 118.51 3kzi h GLU 323 Ca 0.09 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3kzi h GLU 323 Cb 0.08 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3kzi h GLU 323 CO -0.01 0.35 -0.11 0.78 -1.40 0.00 0.00 179.01 178.61 3kzi h GLY 324 N 0.54 0.87 1.00 -3.84 0.00 -1.10 -0.53 103.07 100.01 3kzi h GLY 324 Ca 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kzi h GLY 324 CO -0.39 0.66 0.08 -2.22 0.00 0.00 0.00 176.54 174.67 3kzi h ILE 325 N 0.62 1.03 -0.02 2.60 2.04 -0.37 -1.02 117.51 122.39 3kzi h ILE 325 Ca 0.10 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3kzi h ILE 325 Cb 0.64 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3kzi h ILE 325 CO 0.04 0.03 0.01 0.03 0.00 0.00 0.00 178.15 178.26 3kzi h ARG 326 N 0.17 0.02 -0.65 2.37 3.08 -0.83 -2.01 114.38 116.53 3kzi h ARG 326 Ca 0.05 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3kzi h ARG 326 Cb -0.02 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3kzi h ARG 326 CO -0.01 0.12 0.16 0.00 -1.07 0.00 0.00 179.97 179.17 3kzi h ALA 327 N 0.90 0.86 0.00 0.04 0.00 -0.95 -1.81 119.26 118.30 3kzi h ALA 327 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kzi h ALA 327 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kzi h ALA 327 CO -0.00 0.58 -0.37 -1.49 0.00 0.00 0.00 179.25 177.97 3kzi h TRP 328 N 0.97 0.00 0.00 0.00 4.06 -1.21 -3.39 115.95 116.37 3kzi h TRP 328 Ca 0.20 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.78 3kzi h TRP 328 Cb 0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.47 3kzi h TRP 328 CO 0.03 0.00 -2.18 -0.12 -3.56 0.00 0.00 178.44 172.61 3kzi n MET 329 N -2.37 0.58 -0.16 0.49 1.56 -0.76 -4.65 117.12 111.81 3kzi n MET 329 Ca 0.04 0.30 0.08 0.00 -0.27 0.00 0.00 57.70 57.85 3kzi n MET 329 Cb 0.46 -1.52 0.16 0.00 2.15 0.00 0.00 33.22 34.48 3kzi n MET 329 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3kzi n ALA 330 N -4.17 0.28 0.17 -5.12 0.00 -0.69 -2.12 120.51 108.86 3kzi n ALA 330 Ca -0.46 0.49 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 3kzi n ALA 330 Cb 0.81 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 3kzi n ALA 330 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kzi h PRO 331 N 0.00 -0.76 -0.08 0.00 0.11 -1.82 -1.32 132.00 128.12 3kzi h PRO 331 Ca 0.30 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3kzi h PRO 331 Cb 0.66 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3kzi h PRO 331 CO -0.42 -0.51 0.00 1.04 -0.21 0.00 0.00 178.00 177.90 3kzi n GLN 332 N -5.50 1.79 -0.00 1.05 6.02 -0.90 -3.81 117.38 116.03 3kzi n GLN 332 Ca -0.09 -1.16 0.09 0.00 -0.01 0.00 0.00 57.00 55.83 3kzi n GLN 332 Cb 0.41 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 3kzi n GLN 332 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kzi n ASP 333 N 0.40 0.83 -2.71 1.08 2.03 -0.94 -4.54 116.55 112.69 3kzi n ASP 333 Ca 0.18 -0.40 -0.15 0.00 0.52 0.00 0.00 54.79 54.94 3kzi n ASP 333 Cb 0.38 1.48 0.01 0.00 -0.72 0.00 0.00 41.12 42.27 3kzi n ASP 333 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kzi n GLN 334 N -1.83 1.67 -0.29 -0.67 6.02 -0.51 -4.98 117.38 116.79 3kzi n GLN 334 Ca -0.00 -3.60 0.24 0.00 -0.01 0.00 0.00 57.00 53.63 3kzi n GLN 334 Cb 0.39 -1.55 0.45 0.00 1.02 0.00 0.00 30.24 30.55 3kzi n GLN 334 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3kzi n PRO 335 N -0.11 -0.06 0.00 -1.09 -0.02 -1.25 -0.58 135.00 131.90 3kzi n PRO 335 Ca 0.18 1.25 0.00 0.00 -2.02 0.00 0.00 63.50 62.92 3kzi n PRO 335 Cb 0.75 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3kzi n PRO 335 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3kzi n HIS 336 N -5.09 0.00 1.19 6.00 1.44 -1.26 -1.42 115.22 116.08 3kzi n HIS 336 Ca 0.30 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.14 3kzi n HIS 336 Cb 1.02 -0.46 0.25 0.00 0.12 0.00 0.00 29.99 30.92 3kzi n HIS 336 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3kzi n GLU 337 N -1.46 1.75 -4.02 -1.40 -0.58 0.26 -4.97 120.64 110.21 3kzi n GLU 337 Ca 0.00 -1.29 -0.38 0.00 -0.42 0.00 0.00 57.16 55.07 3kzi n GLU 337 Cb 0.02 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.43 3kzi n GLU 337 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kzi n ASN 338 N 0.50 -3.15 -4.77 1.62 3.02 -0.51 -4.83 115.26 107.15 3kzi n ASN 338 Ca 0.15 -1.05 -0.39 0.00 -0.03 0.00 0.00 54.58 53.26 3kzi n ASN 338 Cb 0.47 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.33 3kzi n ASN 338 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3kzi s PHE 339 N -3.84 3.64 -0.23 3.10 0.08 -1.26 -5.04 117.98 114.44 3kzi s PHE 339 Ca 0.39 1.76 -0.04 0.00 0.12 0.00 0.00 56.93 59.16 3kzi s PHE 339 Cb -0.22 -3.10 0.08 0.00 -0.57 0.00 0.00 43.02 39.22 3kzi s PHE 339 CO 0.78 -0.15 0.13 0.08 -0.10 0.00 0.00 175.22 175.97 3kzi s VAL 340 N -1.36 -0.13 -0.47 -0.44 1.01 -1.26 -4.95 120.40 112.80 3kzi s VAL 340 Ca 0.47 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3kzi s VAL 340 Cb -0.26 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.47 3kzi s VAL 340 CO 0.32 -0.47 0.30 -0.36 0.00 0.00 0.00 175.10 174.90 3kzi s PHE 341 N 2.16 3.51 0.34 5.22 0.08 -1.26 -5.08 117.98 122.95 3kzi s PHE 341 Ca 0.06 -2.27 -0.26 0.00 0.12 0.00 0.00 56.93 54.58 3kzi s PHE 341 Cb -0.16 -3.33 -0.13 0.00 -0.57 0.00 0.00 43.02 38.83 3kzi s PHE 341 CO -0.22 -0.96 0.86 -2.30 -0.10 0.00 0.00 175.22 172.50 3kzi n PRO 342 N 4.52 1.05 -0.39 0.24 -0.02 -1.26 -4.78 135.00 134.35 3kzi n PRO 342 Ca -0.02 0.37 0.33 0.00 -2.02 0.00 0.00 63.50 62.17 3kzi n PRO 342 Cb 0.41 -1.73 0.65 0.00 -0.02 0.00 0.00 33.50 32.81 3kzi n PRO 342 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kzi h GLU 343 N 1.55 0.15 0.00 -0.52 5.08 -1.98 0.17 114.58 119.02 3kzi h GLU 343 Ca -0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3kzi h GLU 343 Cb 1.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3kzi h GLU 343 CO 0.57 0.10 0.00 1.05 -1.00 0.00 0.00 179.01 179.73 3kzi h GLU 344 N 0.15 0.00 0.00 2.33 4.11 -2.05 -3.11 114.58 116.02 3kzi h GLU 344 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.11 3kzi h GLU 344 Cb 2.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.50 3kzi h GLU 344 CO -0.22 0.00 -1.04 1.55 0.07 0.00 0.00 179.01 179.37 3kzi n VAL 345 N -2.63 0.25 -2.06 -1.06 3.14 0.58 -4.90 118.33 111.65 3kzi n VAL 345 Ca 0.03 -0.31 -0.43 0.00 -2.96 0.00 0.00 64.34 60.67 3kzi n VAL 345 Cb 0.34 0.07 -0.03 0.00 -1.06 0.00 0.00 33.84 33.17 3kzi n VAL 345 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3kzi s LEU 346 N -4.22 3.68 0.24 6.55 1.02 -1.18 -4.97 118.68 119.80 3kzi s LEU 346 Ca 0.03 1.43 -0.31 0.00 0.02 0.00 0.00 54.13 55.29 3kzi s LEU 346 Cb 0.13 -3.53 -0.12 0.00 0.02 0.00 0.00 46.19 42.69 3kzi s LEU 346 CO 0.80 -1.50 1.60 -0.81 0.02 0.00 0.00 176.35 176.46 3kzi n PRO 347 N 8.09 2.54 -3.62 1.29 -0.04 -1.26 -4.99 135.00 137.01 3kzi n PRO 347 Ca 0.21 0.91 -0.15 0.00 -0.04 0.00 0.00 63.50 64.43 3kzi n PRO 347 Cb 0.46 -2.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 3kzi n PRO 347 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kzi s ARG 348 N 0.21 0.84 0.00 0.54 0.52 -1.26 -4.90 118.95 114.90 3kzi s ARG 348 Ca 0.70 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 3kzi s ARG 348 Cb -0.55 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.32 3kzi s ARG 348 CO 0.42 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.98 3kzi n GLY 349 N 1.98 -1.45 3.84 -3.53 0.00 -1.26 -5.01 105.19 99.76 3kzi n GLY 349 Ca -0.16 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3kzi n GLY 349 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kzi s ASN 350 N -1.24 6.78 0.00 1.61 2.47 -1.26 -4.39 114.94 118.92 3kzi s ASN 350 Ca 0.00 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.82 3kzi s ASN 350 Cb 0.00 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3kzi s ASN 350 CO 0.00 -0.41 0.00 0.00 -3.72 0.00 0.00 177.10 172.97 3kzi n ALA 351 N -0.94 0.00 1.43 1.71 0.00 -1.26 -5.34 120.51 116.11 3kzi n ALA 351 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3kzi n ALA 351 Cb 0.54 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.67 3kzi n ALA 351 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78