#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdr n GLY 44 N 0.00 -0.51 0.00 -0.72 0.00 -1.26 -5.15 105.19 97.55 3kdr n GLY 44 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3kdr n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kdr n GLU 45 N 0.00 0.00 -2.25 1.61 0.00 -1.26 -5.08 120.64 113.66 3kdr n GLU 45 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 3kdr n GLU 45 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 3kdr n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kdr s ALA 46 N -2.95 3.19 -0.45 4.31 0.00 -1.26 -4.97 121.76 119.63 3kdr s ALA 46 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 3kdr s ALA 46 Cb 0.00 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.43 3kdr s ALA 46 CO 0.00 -0.86 0.36 0.08 0.00 0.00 0.00 175.76 175.34 3kdr s VAL 47 N -3.08 5.24 0.00 0.00 1.01 -1.26 -4.86 120.40 117.44 3kdr s VAL 47 Ca 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3kdr s VAL 47 Cb -0.11 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3kdr s VAL 47 CO 0.47 -0.47 0.00 0.35 0.00 0.00 0.00 175.10 175.45 3kdr n THR 48 N 5.20 0.00 -4.14 3.92 -2.24 -1.26 -4.73 114.28 111.03 3kdr n THR 48 Ca -0.12 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 3kdr n THR 48 Cb 0.45 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3kdr n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdr s THR 49 N -1.39 4.28 0.31 4.28 -4.23 -1.26 -4.96 115.64 112.68 3kdr s THR 49 Ca 0.00 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3kdr s THR 49 Cb 0.00 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.71 3kdr s THR 49 CO 0.00 -0.32 1.86 -0.09 -0.54 0.00 0.00 174.62 175.53 3kdr h ARG 50 N 1.68 0.71 -0.52 3.99 2.43 -1.98 -2.44 114.38 118.24 3kdr h ARG 50 Ca -0.48 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 58.52 3kdr h ARG 50 Cb 1.24 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3kdr h ARG 50 CO 0.61 0.65 0.18 0.00 -1.51 0.00 0.00 179.97 179.90 3kdr h ALA 51 N 1.43 0.68 -0.11 2.80 0.00 -1.98 -1.48 119.26 120.60 3kdr h ALA 51 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kdr h ALA 51 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kdr h ALA 51 CO -0.00 0.32 0.06 0.93 0.00 0.00 0.00 179.25 180.57 3kdr h GLU 52 N 0.71 0.15 -0.90 0.00 5.08 -1.86 -3.02 114.58 114.75 3kdr h GLU 52 Ca 0.17 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3kdr h GLU 52 Cb 0.25 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3kdr h GLU 52 CO -0.01 0.17 0.59 0.00 -1.00 0.00 0.00 179.01 178.76 3kdr h ALA 53 N 0.98 1.45 0.00 3.43 0.00 -1.21 0.95 119.26 124.86 3kdr h ALA 53 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kdr h ALA 53 Cb 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kdr h ALA 53 CO -0.01 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.97 3kdr n LEU 54 N -4.46 0.00 -0.09 0.00 4.77 -0.58 -1.46 117.00 115.18 3kdr n LEU 54 Ca 0.12 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 3kdr n LEU 54 Cb 0.13 -0.44 0.69 0.00 -2.33 0.00 0.00 43.42 41.47 3kdr n LEU 54 CO 0.34 -0.19 0.94 0.35 -1.33 0.00 0.00 177.39 177.51 3kdr n THR 55 N -1.44 0.00 -3.23 -5.08 -2.24 0.33 -4.56 114.28 98.05 3kdr n THR 55 Ca 0.05 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3kdr n THR 55 Cb 0.18 -0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 3kdr n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdr s ILE 56 N -2.39 5.02 0.31 2.28 1.01 -0.53 -4.98 121.20 121.91 3kdr s ILE 56 Ca 0.32 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.52 3kdr s ILE 56 Cb 0.20 -3.92 0.25 0.00 0.01 0.00 0.00 42.46 39.00 3kdr s ILE 56 CO 0.45 -0.12 1.96 -0.65 0.00 0.00 0.00 174.94 176.58 3kdr h PRO 57 N 8.31 1.00 -0.48 2.79 0.11 -1.86 0.14 132.00 142.01 3kdr h PRO 57 Ca -0.28 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 3kdr h PRO 57 Cb 1.13 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3kdr h PRO 57 CO 0.76 0.68 0.11 0.00 -0.21 0.00 0.00 178.00 179.34 3kdr h ALA 58 N 1.49 1.30 -0.66 -0.75 0.00 -1.93 -0.44 119.26 118.28 3kdr h ALA 58 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kdr h ALA 58 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3kdr h ALA 58 CO -0.05 0.49 0.26 0.28 0.00 0.00 0.00 179.25 180.23 3kdr h VAL 59 N 0.70 1.24 -0.11 0.00 2.07 -1.02 -0.93 116.25 118.20 3kdr h VAL 59 Ca 0.16 -0.76 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 3kdr h VAL 59 Cb 0.27 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3kdr h VAL 59 CO -0.00 0.30 -0.60 0.25 0.02 0.00 0.00 177.57 177.54 3kdr h LEU 60 N 0.93 0.43 -0.09 2.57 5.85 -0.69 0.15 115.31 124.46 3kdr h LEU 60 Ca 0.22 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3kdr h LEU 60 Cb 0.21 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kdr h LEU 60 CO -0.02 0.93 -0.52 -0.09 -0.34 0.00 0.00 178.44 178.40 3kdr h ARG 61 N 0.28 0.50 -0.72 1.25 9.65 -0.99 0.20 114.38 124.56 3kdr h ARG 61 Ca -0.00 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 3kdr h ARG 61 Cb 1.13 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 3kdr h ARG 61 CO 0.10 1.06 0.37 0.00 2.80 0.00 0.00 179.97 184.30 3kdr h ALA 62 N 0.45 0.93 -0.31 2.80 0.00 -1.06 -1.69 119.26 120.37 3kdr h ALA 62 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kdr h ALA 62 Cb 1.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kdr h ALA 62 CO 0.11 0.47 0.19 -0.09 0.00 0.00 0.00 179.25 179.92 3kdr h ARG 63 N 1.00 0.38 -0.31 0.00 2.43 -0.59 -1.56 114.38 115.73 3kdr h ARG 63 Ca 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3kdr h ARG 63 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3kdr h ARG 63 CO -0.04 0.25 0.17 -0.91 -1.51 0.00 0.00 179.97 177.93 3kdr h ASN 64 N 0.39 0.40 -0.59 -3.80 -0.26 -0.56 0.72 115.58 111.87 3kdr h ASN 64 Ca 0.12 -0.10 0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3kdr h ASN 64 Cb -0.01 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.10 3kdr h ASN 64 CO -0.05 0.38 0.34 -0.07 -1.06 0.00 0.00 177.43 176.97 3kdr h LEU 65 N 0.38 0.54 0.25 1.61 3.38 -1.24 -2.03 115.31 118.19 3kdr h LEU 65 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kdr h LEU 65 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kdr h LEU 65 CO -0.02 0.37 -0.12 -0.07 0.09 0.00 0.00 178.44 178.69 3kdr h LEU 66 N 0.66 -0.28 -1.20 1.67 3.38 -0.81 -3.24 115.31 115.50 3kdr h LEU 66 Ca 0.25 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3kdr h LEU 66 Cb 0.08 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kdr h LEU 66 CO -0.13 0.19 -0.30 0.28 0.09 0.00 0.00 178.44 178.57 3kdr h SER 67 N -1.07 0.16 1.04 -0.43 0.02 -0.93 -2.74 113.55 109.60 3kdr h SER 67 Ca -0.03 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 3kdr h SER 67 Cb 0.31 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3kdr h SER 67 CO 0.06 0.47 -0.92 0.71 -1.14 0.00 0.00 176.83 176.01 3kdr h THR 68 N 0.15 1.59 -0.16 -2.27 1.35 -1.52 -1.93 112.91 110.12 3kdr h THR 68 Ca 0.02 -3.21 -0.03 0.00 -0.55 0.00 0.00 66.41 62.64 3kdr h THR 68 Cb 0.62 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 3kdr h THR 68 CO 0.04 0.90 -0.02 0.74 -0.25 0.00 0.00 175.52 176.93 3kdr h THR 69 N 0.00 1.28 0.12 6.82 2.02 -1.54 0.28 112.91 121.89 3kdr h THR 69 Ca -0.01 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.25 3kdr h THR 69 Cb 1.69 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 3kdr h THR 69 CO 0.12 0.28 -0.34 0.58 0.37 0.00 0.00 175.52 176.53 3kdr h VAL 70 N 0.01 0.28 -0.90 3.16 2.07 -1.49 -1.79 116.25 117.59 3kdr h VAL 70 Ca 0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.74 3kdr h VAL 70 Cb 0.44 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 3kdr h VAL 70 CO 0.01 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.19 3kdr h ALA 71 N 0.05 2.00 0.00 1.67 0.00 -1.19 -0.92 119.26 120.87 3kdr h ALA 71 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kdr h ALA 71 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kdr h ALA 71 CO -0.20 -0.27 -0.08 0.54 0.00 0.00 0.00 179.25 179.24 3kdr n ARG 72 N -4.56 0.02 -3.24 0.00 1.74 0.08 -4.80 116.66 105.90 3kdr n ARG 72 Ca 0.19 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.89 3kdr n ARG 72 Cb 0.59 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 3kdr n ARG 72 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kdr s THR 73 N -3.01 5.10 0.45 0.55 2.01 -0.35 -4.92 115.64 115.47 3kdr s THR 73 Ca 0.13 0.96 -0.24 0.00 0.31 0.00 0.00 61.69 62.84 3kdr s THR 73 Cb 0.18 -3.84 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3kdr s THR 73 CO 0.56 0.18 1.28 -2.84 -0.69 0.00 0.00 174.62 173.11 3kdr s PRO 74 N 1.64 3.74 -0.01 4.92 0.02 -1.26 -4.76 135.00 139.29 3kdr s PRO 74 Ca 0.24 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 3kdr s PRO 74 Cb -0.15 -2.56 -0.06 0.00 0.02 0.00 0.00 34.50 31.75 3kdr s PRO 74 CO 0.10 -0.65 0.46 -0.51 -0.33 0.00 0.00 177.00 176.06 3kdr s LEU 75 N -2.81 4.45 -0.00 -5.54 1.43 -1.26 -0.81 118.68 114.13 3kdr s LEU 75 Ca 0.62 1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 54.63 3kdr s LEU 75 Cb -0.36 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3kdr s LEU 75 CO 0.45 0.25 0.19 -0.69 0.23 0.00 0.00 176.35 176.77 3kdr s VAL 76 N -0.73 0.07 -0.09 -1.59 1.01 0.12 -4.95 120.40 114.25 3kdr s VAL 76 Ca 0.25 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3kdr s VAL 76 Cb -0.17 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3kdr s VAL 76 CO 0.14 -0.34 0.23 0.00 0.00 0.00 0.00 175.10 175.13 3kdr h ASP 78 N 5.87 0.00 -2.36 0.00 3.32 -1.85 -3.44 116.42 117.96 3kdr h ASP 78 Ca -0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3kdr h ASP 78 Cb 1.19 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.78 3kdr h ASP 78 CO 0.36 0.60 0.09 0.61 -1.72 0.00 0.00 179.24 179.18 3kdr n GLY 79 N 0.57 -1.41 3.76 2.75 0.00 -1.26 -4.99 105.19 104.61 3kdr n GLY 79 Ca -0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 3kdr n GLY 79 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kdr s THR 80 N -1.65 2.21 0.10 2.61 -1.32 -1.26 -4.95 115.64 111.38 3kdr s THR 80 Ca 0.17 0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.55 3kdr s THR 80 Cb -0.01 -3.12 -0.06 0.00 -1.51 0.00 0.00 72.50 67.80 3kdr s THR 80 CO 0.12 0.04 1.05 -0.22 -2.21 0.00 0.00 174.62 173.40 3kdr s LEU 81 N -1.01 4.44 0.35 9.08 2.96 -1.26 -5.00 118.68 128.24 3kdr s LEU 81 Ca 0.59 1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 56.10 3kdr s LEU 81 Cb -0.46 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.53 3kdr s LEU 81 CO 0.52 -0.23 1.46 -2.65 -1.32 0.00 0.00 176.35 174.13 3kdr n PRO 82 N 3.14 2.53 -0.23 0.98 -0.02 -1.26 -4.90 135.00 135.25 3kdr n PRO 82 Ca 0.05 0.89 0.11 0.00 -2.02 0.00 0.00 63.50 62.52 3kdr n PRO 82 Cb 0.48 -2.59 0.39 0.00 -0.02 0.00 0.00 33.50 31.76 3kdr n PRO 82 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kdr h PRO 83 N 3.29 0.64 0.00 0.52 0.11 -1.89 -1.81 132.00 132.87 3kdr h PRO 83 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kdr h PRO 83 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kdr h PRO 83 CO 0.67 0.43 -0.00 0.27 -0.21 0.00 0.00 178.00 179.15 3kdr h PHE 84 N 0.66 0.00 -0.14 0.65 -5.15 -1.73 -3.24 116.94 108.00 3kdr h PHE 84 Ca 0.39 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.14 3kdr h PHE 84 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.77 3kdr h PHE 84 CO -0.00 0.00 0.01 0.28 -2.00 0.00 0.00 178.31 176.60 3kdr h VAL 85 N 0.00 1.24 0.00 0.88 2.07 -1.69 -3.11 116.25 115.65 3kdr h VAL 85 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kdr h VAL 85 Cb 0.29 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3kdr h VAL 85 CO 0.00 0.23 -0.09 -0.81 0.02 0.00 0.00 177.57 176.92 3kdr n PRO 86 N -4.78 0.14 -3.97 1.57 -0.04 -1.22 -4.84 135.00 121.85 3kdr n PRO 86 Ca -0.05 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3kdr n PRO 86 Cb 0.20 -1.64 -0.17 0.00 -0.04 0.00 0.00 33.50 31.85 3kdr n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kdr s VAL 87 N -3.06 1.35 0.00 0.52 1.01 -1.18 -4.80 120.40 114.24 3kdr s VAL 87 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3kdr s VAL 87 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3kdr s VAL 87 CO 0.59 0.41 0.00 0.00 0.00 0.00 0.00 175.10 176.09 3kdr n ALA 88 N 4.84 0.33 -2.33 5.51 0.00 -1.26 -3.15 120.51 124.45 3kdr n ALA 88 Ca -0.15 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 3kdr n ALA 88 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3kdr n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdr s ALA 89 N -4.47 3.48 0.98 0.00 0.00 -0.86 -3.18 121.76 117.71 3kdr s ALA 89 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 3kdr s ALA 89 Cb 0.00 -2.81 0.18 0.00 0.00 0.00 0.00 23.12 20.49 3kdr s ALA 89 CO 0.00 0.22 1.10 -1.25 0.00 0.00 0.00 175.76 175.83 3kdr s PRO 90 N -0.54 0.55 0.24 0.00 0.04 -1.26 -4.87 135.00 129.17 3kdr s PRO 90 Ca 0.33 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 3kdr s PRO 90 Cb -0.20 -1.76 0.31 0.00 0.04 0.00 0.00 34.50 32.89 3kdr s PRO 90 CO 0.20 -2.64 1.88 -1.35 0.04 0.00 0.00 177.00 175.14 3kdr h PRO 91 N -1.82 1.09 -4.44 0.56 0.11 -1.97 -3.39 132.00 122.13 3kdr h PRO 91 Ca -0.54 -0.07 -0.71 0.00 0.11 0.00 0.00 66.00 64.80 3kdr h PRO 91 Cb 1.33 -0.25 -0.32 0.00 0.11 0.00 0.00 31.00 31.88 3kdr h PRO 91 CO 0.59 0.72 -0.50 0.20 -0.21 0.00 0.00 178.00 178.80 3kdr s GLY 92 N -3.15 1.98 0.20 -0.55 0.00 -1.26 -5.04 107.32 99.50 3kdr s GLY 92 Ca -0.13 -2.41 -0.22 0.00 0.00 0.00 0.00 44.72 41.96 3kdr s GLY 92 CO 0.80 1.02 1.00 0.00 0.00 0.00 0.00 173.10 175.92 3kdr s ALA 93 N 1.27 -1.53 -0.25 3.20 0.00 -1.26 -5.03 121.76 118.17 3kdr s ALA 93 Ca 0.06 -0.30 0.13 0.00 0.00 0.00 0.00 51.96 51.85 3kdr s ALA 93 Cb -0.24 0.73 0.66 0.00 0.00 0.00 0.00 23.12 24.28 3kdr s ALA 93 CO -0.02 -1.05 1.62 0.00 0.00 0.00 0.00 175.76 176.31 3kdr n ALA 94 N -0.65 3.82 -2.61 0.00 0.00 -1.26 -5.12 120.51 114.69 3kdr n ALA 94 Ca -0.04 -2.33 -0.28 0.00 0.00 0.00 0.00 53.44 50.80 3kdr n ALA 94 Cb 0.60 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 3kdr n ALA 94 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kdr s THR 95 N -2.92 2.02 0.00 0.00 -1.32 -1.26 -5.25 115.64 106.91 3kdr s THR 95 Ca 0.49 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 3kdr s THR 95 Cb 0.40 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 3kdr s THR 95 CO 0.11 0.00 0.00 1.67 -2.21 0.00 0.00 174.62 174.19 3kdr n GLN 97 N -0.99 0.00 -2.00 7.08 7.27 -1.26 -4.60 117.38 122.88 3kdr n GLN 97 Ca -0.05 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.72 3kdr n GLN 97 Cb 0.67 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.34 3kdr n GLN 97 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3kdr s THR 98 N 0.00 4.30 0.42 1.69 -4.23 -1.26 -2.03 115.64 114.52 3kdr s THR 98 Ca 0.00 0.63 0.20 0.00 -1.18 0.00 0.00 61.69 61.33 3kdr s THR 98 Cb 0.00 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.33 3kdr s THR 98 CO 0.00 -0.92 1.99 -0.65 -0.54 0.00 0.00 174.62 174.51 3kdr h PRO 99 N -0.35 0.00 -0.01 3.99 0.11 -1.91 0.00 132.00 133.84 3kdr h PRO 99 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kdr h PRO 99 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kdr h PRO 99 CO 0.62 0.19 -0.00 0.35 -0.21 0.00 0.00 178.00 178.95 3kdr h PHE 100 N 0.00 0.01 0.00 0.65 3.57 -1.94 -3.06 116.94 116.18 3kdr h PHE 100 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3kdr h PHE 100 Cb 0.39 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3kdr h PHE 100 CO 0.00 0.38 -0.22 0.45 -2.23 0.00 0.00 178.31 176.69 3kdr h HIS 101 N -0.36 0.00 0.00 0.41 3.86 -1.82 -0.82 115.15 116.42 3kdr h HIS 101 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kdr h HIS 101 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3kdr h HIS 101 CO 0.06 0.22 0.00 -2.13 0.86 0.00 0.00 177.93 176.93 3kdr n ARG 102 N -3.56 0.36 0.00 2.45 0.63 -0.06 -0.82 116.66 115.66 3kdr n ARG 102 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3kdr n ARG 102 Cb 0.36 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.09 3kdr n ARG 102 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kdr n LEU 104 N 0.34 0.00 -0.07 6.15 7.94 -0.31 -2.46 117.00 128.58 3kdr n LEU 104 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kdr n LEU 104 Cb 0.09 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.32 3kdr n LEU 104 CO 0.00 0.00 1.04 0.00 -1.11 0.00 0.00 177.39 177.32 3kdr h ALA 105 N 0.00 1.40 -0.25 1.96 0.00 -1.23 -1.76 119.26 119.37 3kdr h ALA 105 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kdr h ALA 105 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kdr h ALA 105 CO 0.00 0.45 -0.12 1.15 0.00 0.00 0.00 179.25 180.73 3kdr h THR 106 N 0.68 1.30 -0.75 0.00 2.02 -1.71 0.13 112.91 114.58 3kdr h THR 106 Ca 0.16 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3kdr h THR 106 Cb 0.18 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3kdr h THR 106 CO -0.01 0.37 0.49 0.00 0.37 0.00 0.00 175.52 176.74 3kdr h ALA 107 N 0.73 0.97 -0.15 6.16 0.00 -1.78 -0.86 119.26 124.32 3kdr h ALA 107 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kdr h ALA 107 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kdr h ALA 107 CO 0.04 0.32 0.05 -0.44 0.00 0.00 0.00 179.25 179.22 3kdr h ASP 108 N 0.98 0.22 -0.63 0.00 5.19 -1.11 -1.41 116.42 119.66 3kdr h ASP 108 Ca 0.29 -0.21 0.09 0.00 -0.62 0.00 0.00 57.03 56.58 3kdr h ASP 108 Cb -0.06 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.33 3kdr h ASP 108 CO -0.08 0.37 0.28 0.44 -3.12 0.00 0.00 179.24 177.13 3kdr h ASP 109 N 0.06 0.33 -0.38 6.45 3.45 -0.33 -2.01 116.42 124.00 3kdr h ASP 109 Ca 0.05 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3kdr h ASP 109 Cb 0.23 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3kdr h ASP 109 CO -0.00 0.20 0.08 -0.07 -1.57 0.00 0.00 179.24 177.88 3kdr h LEU 110 N 0.49 0.59 0.10 1.55 4.07 -0.89 0.17 115.31 121.40 3kdr h LEU 110 Ca 0.31 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3kdr h LEU 110 Cb 0.34 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3kdr h LEU 110 CO -0.27 0.68 -0.05 0.25 -1.08 0.00 0.00 178.44 177.98 3kdr h LEU 111 N 0.47 -0.11 0.22 1.67 5.85 -0.76 -1.13 115.31 121.51 3kdr h LEU 111 Ca 0.12 -0.09 -0.33 0.00 0.84 0.00 0.00 57.88 58.42 3kdr h LEU 111 Cb 0.33 0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kdr h LEU 111 CO 0.00 0.02 -1.51 -0.26 -0.34 0.00 0.00 178.44 176.36 3kdr h PHE 112 N -0.24 0.84 0.00 1.25 0.04 -1.39 -1.45 116.94 115.99 3kdr h PHE 112 Ca -0.01 -0.62 0.00 0.00 2.80 0.00 0.00 57.97 60.14 3kdr h PHE 112 Cb 0.20 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3kdr h PHE 112 CO -0.04 1.58 -0.63 0.09 -0.60 0.00 0.00 178.31 178.71 3kdr n ASN 113 N -3.73 0.84 0.00 2.17 3.02 0.56 -1.49 115.26 116.63 3kdr n ASN 113 Ca -0.20 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3kdr n ASN 113 Cb 1.06 1.08 0.00 0.00 -0.61 0.00 0.00 39.78 41.31 3kdr n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdr n GLY 114 N 1.35 1.35 3.33 7.41 0.00 -0.43 -4.36 105.19 113.84 3kdr n GLY 114 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3kdr n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kdr s VAL 115 N -2.76 0.08 0.05 1.61 -7.23 -1.25 -1.07 120.40 109.83 3kdr s VAL 115 Ca 0.00 -0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 3kdr s VAL 115 Cb 0.00 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.58 3kdr s VAL 115 CO 0.00 -0.34 0.33 0.00 -0.31 0.00 0.00 175.10 174.78 3kdr s ALA 116 N -3.86 -0.76 -0.02 1.32 0.00 -0.64 -3.77 121.76 114.03 3kdr s ALA 116 Ca 0.07 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3kdr s ALA 116 Cb 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3kdr s ALA 116 CO -0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 175.76 175.07 3kdr s TRP 118 N -0.24 3.11 -0.33 0.00 0.52 -0.07 -2.25 118.94 119.68 3kdr s TRP 118 Ca 0.03 0.15 -0.13 0.00 0.02 0.00 0.00 56.10 56.17 3kdr s TRP 118 Cb -0.08 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 3kdr s TRP 118 CO 0.00 0.43 0.28 0.00 0.02 0.00 0.00 176.95 177.69 3kdr s ALA 119 N -0.85 3.51 0.16 0.98 0.00 0.11 -0.61 121.76 125.06 3kdr s ALA 119 Ca 0.13 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 3kdr s ALA 119 Cb -0.11 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 3kdr s ALA 119 CO 0.02 -0.92 0.69 -0.51 0.00 0.00 0.00 175.76 175.04 3kdr s LEU 120 N 1.85 4.47 -0.71 0.00 1.43 -0.05 -2.37 118.68 123.29 3kdr s LEU 120 Ca 0.09 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.42 3kdr s LEU 120 Cb -0.17 -3.29 0.12 0.00 0.03 0.00 0.00 46.19 42.88 3kdr s LEU 120 CO 0.11 0.16 0.87 -0.62 0.23 0.00 0.00 176.35 177.09 3kdr s ASP 121 N -1.35 6.35 -0.17 2.29 2.15 -0.08 -4.71 116.67 121.14 3kdr s ASP 121 Ca 0.37 -1.63 -0.10 0.00 0.43 0.00 0.00 52.55 51.62 3kdr s ASP 121 Cb -0.19 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 3kdr s ASP 121 CO 0.22 -1.11 0.17 -0.13 -0.17 0.00 0.00 175.17 174.15 3kdr s ARG 122 N 2.70 4.01 0.00 4.34 0.52 -1.26 -1.12 118.95 128.14 3kdr s ARG 122 Ca 0.19 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3kdr s ARG 122 Cb -0.17 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.95 3kdr s ARG 122 CO 0.02 0.42 0.00 -0.40 0.02 0.00 0.00 175.30 175.35 3kdr n ASP 123 N 3.10 0.00 -0.00 0.23 5.68 -0.78 -4.87 116.55 119.91 3kdr n ASP 123 Ca -0.16 -0.71 0.14 0.00 -0.50 0.00 0.00 54.79 53.56 3kdr n ASP 123 Cb 0.53 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.14 3kdr n ASP 123 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3kdr n GLU 124 N -0.71 0.05 0.00 0.11 -0.58 -1.26 -0.84 120.64 117.41 3kdr n GLU 124 Ca 0.00 -0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 3kdr n GLU 124 Cb 0.00 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 29.98 3kdr n GLU 124 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3kdr n SER 125 N -1.48 0.86 -0.26 1.62 3.41 -1.26 -4.92 113.62 111.59 3kdr n SER 125 Ca 0.08 -1.07 -0.03 0.00 -0.26 0.00 0.00 58.87 57.59 3kdr n SER 125 Cb 0.33 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3kdr n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdr n GLY 126 N 1.19 0.64 3.72 5.00 0.00 -0.02 -5.02 105.19 110.69 3kdr n GLY 126 Ca 0.18 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3kdr n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kdr s THR 127 N -2.03 5.26 -0.30 2.61 -4.23 -1.26 -4.79 115.64 110.91 3kdr s THR 127 Ca 0.00 0.66 -0.29 0.00 -1.18 0.00 0.00 61.69 60.88 3kdr s THR 127 Cb 0.00 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.16 3kdr s THR 127 CO 0.00 0.35 1.13 0.00 -0.54 0.00 0.00 174.62 175.56 3kdr n ILE 129 N 5.85 0.00 -3.57 0.00 -5.35 -0.28 -4.12 119.36 111.89 3kdr n ILE 129 Ca 0.13 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.26 3kdr n ILE 129 Cb 0.47 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 3kdr n ILE 129 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kdr s GLY 130 N -2.08 -0.36 -0.13 3.28 0.00 -1.24 -4.21 107.32 102.58 3kdr s GLY 130 Ca 0.14 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.97 3kdr s GLY 130 CO 0.47 0.40 0.35 0.00 0.00 0.00 0.00 173.10 174.31 3kdr s ALA 131 N -2.72 -0.87 0.04 3.20 0.00 -1.19 -0.91 121.76 119.31 3kdr s ALA 131 Ca 0.08 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.17 3kdr s ALA 131 Cb -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3kdr s ALA 131 CO -0.06 -0.18 -0.22 0.96 0.00 0.00 0.00 175.76 176.26 3kdr s ILE 132 N 0.37 1.79 0.25 0.00 -4.36 -1.00 -4.21 121.20 114.05 3kdr s ILE 132 Ca -0.02 -1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 58.85 3kdr s ILE 132 Cb -0.04 -1.54 -0.09 0.00 1.25 0.00 0.00 42.46 42.04 3kdr s ILE 132 CO -0.01 0.27 1.18 -2.28 0.24 0.00 0.00 174.94 174.34 3kdr s HIS 133 N -0.78 3.41 0.11 1.37 5.65 -1.26 0.07 115.29 123.87 3kdr s HIS 133 Ca 0.09 1.52 0.08 0.00 0.25 0.00 0.00 55.06 57.00 3kdr s HIS 133 Cb -0.09 -3.42 -0.04 0.00 -1.18 0.00 0.00 32.58 27.85 3kdr s HIS 133 CO 0.02 -1.09 -0.20 0.96 -0.65 0.00 0.00 174.74 173.78 3kdr s ILE 134 N -0.70 1.72 0.68 0.89 -4.36 -0.96 -4.88 121.20 113.60 3kdr s ILE 134 Ca 0.49 -1.61 -0.14 0.00 -0.26 0.00 0.00 60.65 59.14 3kdr s ILE 134 Cb -0.34 -1.60 0.01 0.00 1.25 0.00 0.00 42.46 41.77 3kdr s ILE 134 CO 0.41 -0.11 1.09 -2.84 0.24 0.00 0.00 174.94 173.73 3kdr s PRO 135 N -2.06 2.81 0.37 0.37 0.02 -1.26 -4.52 135.00 130.72 3kdr s PRO 135 Ca 0.08 1.24 0.07 0.00 0.02 0.00 0.00 61.00 62.41 3kdr s PRO 135 Cb -0.09 -1.96 0.71 0.00 0.02 0.00 0.00 34.50 33.18 3kdr s PRO 135 CO 0.05 -1.23 1.91 -0.07 -0.33 0.00 0.00 177.00 177.33 3kdr h LEU 136 N -0.25 0.35 0.00 -5.54 3.38 -1.96 -2.01 115.31 109.28 3kdr h LEU 136 Ca -0.46 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3kdr h LEU 136 Cb 1.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3kdr h LEU 136 CO 0.55 0.45 0.00 -0.90 0.09 0.00 0.00 178.44 178.63 3kdr n ASP 137 N -4.29 0.00 -1.32 -0.43 5.75 -1.26 -2.85 116.55 112.15 3kdr n ASP 137 Ca 0.00 0.35 0.12 0.00 -0.01 0.00 0.00 54.79 55.25 3kdr n ASP 137 Cb 0.25 -0.44 0.31 0.00 -1.03 0.00 0.00 41.12 40.21 3kdr n ASP 137 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3kdr n THR 138 N -1.44 0.93 -3.95 2.12 -2.24 -0.75 -4.96 114.28 103.98 3kdr n THR 138 Ca 0.07 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.81 3kdr n THR 138 Cb 0.24 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 3kdr n THR 138 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3kdr s TRP 139 N -1.07 0.37 0.16 4.78 1.48 -1.13 -1.65 118.94 121.87 3kdr s TRP 139 Ca 0.48 -0.75 -0.24 0.00 -1.06 0.00 0.00 56.10 54.53 3kdr s TRP 139 Cb 0.25 -0.08 0.07 0.00 -1.16 0.00 0.00 33.47 32.54 3kdr s TRP 139 CO 0.33 -0.66 0.98 1.14 -4.06 0.00 0.00 176.95 174.67 3kdr s GLN 140 N -3.95 1.22 -0.16 3.25 -2.07 -0.21 -4.97 119.66 112.78 3kdr s GLN 140 Ca 0.15 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 52.99 3kdr s GLN 140 Cb 0.04 0.40 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 3kdr s GLN 140 CO -0.03 -0.56 -0.12 0.42 -1.32 0.00 0.00 175.29 173.68 3kdr s ILE 141 N -3.08 1.55 -0.26 3.63 1.01 -1.26 -0.60 121.20 122.20 3kdr s ILE 141 Ca 0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3kdr s ILE 141 Cb -0.01 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.96 3kdr s ILE 141 CO 0.03 0.35 -0.06 -1.61 0.00 0.00 0.00 174.94 173.65 3kdr s GLU 142 N 1.47 2.70 6.69 2.79 8.01 0.61 -4.90 118.70 136.08 3kdr s GLU 142 Ca 0.03 -1.07 0.00 0.00 0.01 0.00 0.00 54.97 53.94 3kdr s GLU 142 Cb -0.14 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.68 3kdr s GLU 142 CO -0.10 -0.45 0.00 -0.85 0.01 0.00 0.00 175.26 173.87 3kdr n GLU 143 N 4.63 0.00 -0.72 1.61 -0.00 -1.26 -0.67 120.64 124.24 3kdr n GLU 143 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.00 3kdr n GLU 143 Cb 0.46 0.00 0.24 0.00 -0.00 0.00 0.00 31.44 32.14 3kdr n GLU 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3kdr n ASN 144 N 10.53 3.59 -4.28 -1.84 4.13 -1.26 -5.01 115.26 121.12 3kdr n ASN 144 Ca 0.00 -3.34 -0.32 0.00 1.68 0.00 0.00 54.58 52.60 3kdr n ASN 144 Cb 0.00 -0.63 -0.16 0.00 -1.54 0.00 0.00 39.78 37.45 3kdr n ASN 144 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3kdr s THR 145 N -3.03 2.25 -0.15 3.41 2.01 0.15 -5.05 115.64 115.23 3kdr s THR 145 Ca 0.46 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 3kdr s THR 145 Cb 0.39 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 3kdr s THR 145 CO 0.07 0.56 0.25 -0.69 -0.69 0.00 0.00 174.62 174.12 3kdr s VAL 146 N 0.00 5.33 -0.07 3.82 1.01 -1.26 -0.28 120.40 128.95 3kdr s VAL 146 Ca -0.08 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3kdr s VAL 146 Cb -0.15 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kdr s VAL 146 CO 0.05 0.44 -0.23 -0.13 0.00 0.00 0.00 175.10 175.24 3kdr s ARG 147 N 0.13 2.59 -0.15 2.72 0.52 0.23 -1.82 118.95 123.18 3kdr s ARG 147 Ca 0.15 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 3kdr s ARG 147 Cb -0.13 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3kdr s ARG 147 CO 0.03 0.28 -0.21 0.08 0.02 0.00 0.00 175.30 175.50 3kdr s VAL 148 N 0.08 2.08 -1.58 3.52 1.01 -0.18 -1.04 120.40 124.30 3kdr s VAL 148 Ca -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3kdr s VAL 148 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kdr s VAL 148 CO 0.05 0.55 0.31 0.59 0.00 0.00 0.00 175.10 176.60 3kdr n ASN 149 N 4.17 -5.66 0.00 3.32 3.02 -0.66 -2.27 115.26 117.18 3kdr n ASN 149 Ca -0.20 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3kdr n ASN 149 Cb 0.51 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 3kdr n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdr n GLY 150 N -1.24 2.31 3.60 7.41 0.00 -1.26 -5.01 105.19 110.99 3kdr n GLY 150 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3kdr n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdr s LYS 151 N -0.34 3.93 0.67 1.61 0.00 -0.96 -5.02 119.74 119.63 3kdr s LYS 151 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 55.97 55.45 3kdr s LYS 151 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 37.83 34.50 3kdr s LYS 151 CO 0.00 0.12 1.09 0.00 0.00 0.00 0.00 175.35 176.56 3kdr n ALA 152 N 4.03 0.36 -2.15 0.59 0.00 -1.26 -1.00 120.51 121.07 3kdr n ALA 152 Ca -0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 3kdr n ALA 152 Cb 0.52 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 3kdr n ALA 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kdr s VAL 153 N -1.60 0.18 0.14 0.00 0.11 -0.76 -4.84 120.40 113.64 3kdr s VAL 153 Ca 0.78 -1.78 -0.31 0.00 -2.93 0.00 0.00 61.98 57.74 3kdr s VAL 153 Cb -0.37 -1.63 -0.08 0.00 -1.53 0.00 0.00 36.38 32.76 3kdr s VAL 153 CO 0.46 -0.84 1.32 -0.62 -3.33 0.00 0.00 175.10 172.09 3kdr s ASP 154 N -2.95 6.90 0.00 3.54 3.68 -1.26 -4.57 116.67 122.01 3kdr s ASP 154 Ca 0.11 2.29 0.00 0.00 2.13 0.00 0.00 52.55 57.08 3kdr s ASP 154 Cb 0.08 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 3kdr s ASP 154 CO -0.07 -0.57 0.00 -2.65 0.13 0.00 0.00 175.17 172.01 3kdr n PRO 155 N 3.45 0.00 0.00 4.34 -0.02 -1.26 -4.11 135.00 137.40 3kdr n PRO 155 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3kdr n PRO 155 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3kdr n PRO 155 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdr n GLU 157 N 1.46 -1.62 -3.84 -0.52 -0.58 -1.26 -4.66 120.64 109.62 3kdr n GLU 157 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3kdr n GLU 157 Cb 0.00 -2.08 -0.09 0.00 -0.57 0.00 0.00 31.44 28.69 3kdr n GLU 157 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kdr s VAL 158 N 0.00 0.08 -0.08 2.62 0.11 -1.26 -0.87 120.40 120.99 3kdr s VAL 158 Ca 0.00 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.40 3kdr s VAL 158 Cb 0.00 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.36 3kdr s VAL 158 CO 0.00 -0.35 -0.02 0.00 -3.33 0.00 0.00 175.10 171.40 3kdr s ILE 160 N 1.91 3.27 -0.10 0.00 1.01 -1.26 -0.89 121.20 125.13 3kdr s ILE 160 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3kdr s ILE 160 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3kdr s ILE 160 CO -0.06 0.53 -0.01 -0.36 0.00 0.00 0.00 174.94 175.04 3kdr s PHE 161 N 0.09 3.11 -0.14 3.97 0.08 0.12 -4.96 117.98 120.26 3kdr s PHE 161 Ca -0.04 0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.04 3kdr s PHE 161 Cb -0.14 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3kdr s PHE 161 CO 0.04 0.33 -0.03 0.08 -0.10 0.00 0.00 175.22 175.55 3kdr s VAL 162 N -0.55 4.01 0.00 -0.44 1.01 -1.26 -1.62 120.40 121.54 3kdr s VAL 162 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kdr s VAL 162 Cb -0.12 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3kdr s VAL 162 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3kdr n GLY 163 N 3.22 0.91 0.02 4.51 0.00 -0.23 -4.83 105.19 108.80 3kdr n GLY 163 Ca -0.17 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.47 3kdr n GLY 163 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kdr n ILE 164 N 0.00 0.00 -1.87 -0.61 -5.35 -1.26 -4.99 119.36 105.27 3kdr n ILE 164 Ca 0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3kdr n ILE 164 Cb 0.00 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3kdr n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kdr n HIS 165 N -1.33 0.00 0.35 4.28 1.44 -1.26 -5.04 115.22 113.65 3kdr n HIS 165 Ca 0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.85 3kdr n HIS 165 Cb 0.28 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.65 3kdr n HIS 165 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kdr n GLY 166 N 0.00 1.57 0.00 -1.39 0.00 -1.26 -4.52 105.19 99.59 3kdr n GLY 166 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3kdr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdr n GLY 167 N 1.44 2.07 0.27 -0.02 0.00 -1.26 -3.96 105.19 103.72 3kdr n GLY 167 Ca 0.19 -1.54 0.10 0.00 0.00 0.00 0.00 46.02 44.77 3kdr n GLY 167 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdr h LEU 168 N 0.00 0.00 -1.71 0.99 3.38 -0.86 0.93 115.31 118.03 3kdr h LEU 168 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kdr h LEU 168 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kdr h LEU 168 CO 0.00 0.03 -0.18 -0.07 0.09 0.00 0.00 178.44 178.31 3kdr h LEU 169 N 0.00 0.00 0.00 1.67 3.38 -1.54 0.40 115.31 119.22 3kdr h LEU 169 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kdr h LEU 169 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kdr h LEU 169 CO 0.00 0.18 -0.09 0.74 0.09 0.00 0.00 178.44 179.37 3kdr h THR 170 N 0.00 0.39 -0.06 0.22 2.02 -1.08 -3.39 112.91 111.01 3kdr h THR 170 Ca -0.00 -1.31 -0.24 0.00 0.77 0.00 0.00 66.41 65.63 3kdr h THR 170 Cb 0.39 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3kdr h THR 170 CO 0.02 0.13 -0.91 0.45 0.37 0.00 0.00 175.52 175.59 3kdr h HIS 171 N -1.00 0.98 -0.41 3.16 3.86 -0.92 -3.27 115.15 117.55 3kdr h HIS 171 Ca -0.01 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 3kdr h HIS 171 Cb 0.29 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3kdr h HIS 171 CO 0.04 1.32 0.00 0.00 0.86 0.00 0.00 177.93 180.14 3kdr n ALA 172 N -2.61 3.20 -0.07 2.45 0.00 0.14 -4.58 120.51 119.04 3kdr n ALA 172 Ca -0.09 -2.01 -0.10 0.00 0.00 0.00 0.00 53.44 51.24 3kdr n ALA 172 Cb 0.81 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 3kdr n ALA 172 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kdr h SER 173 N 2.76 0.32 -0.77 0.00 0.87 -1.59 -0.54 113.55 114.59 3kdr h SER 173 Ca 0.00 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3kdr h SER 173 Cb 1.55 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 3kdr h SER 173 CO 0.29 0.36 0.51 -0.08 -0.53 0.00 0.00 176.83 177.37 3kdr h GLU 174 N 0.25 1.01 0.01 2.24 4.81 -1.85 -1.67 114.58 119.38 3kdr h GLU 174 Ca 0.08 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.05 3kdr h GLU 174 Cb 0.13 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3kdr h GLU 174 CO -0.01 0.67 -0.91 1.79 -0.73 0.00 0.00 179.01 179.82 3kdr h THR 175 N 1.04 1.59 -0.31 0.32 1.35 -1.70 -1.36 112.91 113.83 3kdr h THR 175 Ca 0.28 -2.93 -0.08 0.00 -0.55 0.00 0.00 66.41 63.13 3kdr h THR 175 Cb -0.12 2.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 3kdr h THR 175 CO -0.06 0.84 -0.15 -0.26 -0.25 0.00 0.00 175.52 175.64 3kdr h PHE 176 N 0.03 0.59 0.14 4.73 0.04 -0.83 0.12 116.94 121.76 3kdr h PHE 176 Ca -0.03 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 3kdr h PHE 176 Cb 1.59 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.58 3kdr h PHE 176 CO 0.01 0.67 -0.07 1.15 -0.60 0.00 0.00 178.31 179.48 3kdr h THR 177 N 0.50 1.01 -0.91 -1.55 2.02 -0.99 -1.42 112.91 111.56 3kdr h THR 177 Ca 0.09 -0.64 0.15 0.00 0.77 0.00 0.00 66.41 66.78 3kdr h THR 177 Cb 0.55 1.40 -0.09 0.00 -1.74 0.00 0.00 68.15 68.27 3kdr h THR 177 CO 0.04 0.15 0.51 -0.78 0.37 0.00 0.00 175.52 175.81 3kdr h ASP 178 N -0.49 0.67 -0.61 4.18 3.58 -1.17 0.57 116.42 123.16 3kdr h ASP 178 Ca -0.02 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 3kdr h ASP 178 Cb 0.39 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3kdr h ASP 178 CO 0.03 0.29 0.02 0.00 -2.88 0.00 0.00 179.24 176.71 3kdr h ALA 179 N 1.57 0.81 0.10 -0.78 0.00 -0.49 -1.98 119.26 118.49 3kdr h ALA 179 Ca 0.49 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3kdr h ALA 179 Cb 0.66 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kdr h ALA 179 CO -0.34 0.64 -1.18 -0.09 0.00 0.00 0.00 179.25 178.28 3kdr h ARG 180 N 0.95 0.46 -0.15 0.00 2.43 -0.49 -3.28 114.38 114.30 3kdr h ARG 180 Ca 0.17 -0.62 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 3kdr h ARG 180 Cb 0.53 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3kdr h ARG 180 CO 0.03 1.26 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.61 3kdr h ASN 181 N 0.20 0.26 -0.84 -3.80 -0.26 0.36 -2.62 115.58 108.88 3kdr h ASN 181 Ca -0.15 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 3kdr h ASN 181 Cb 1.85 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 39.01 3kdr h ASN 181 CO 0.21 0.49 0.47 0.25 -1.06 0.00 0.00 177.43 177.80 3kdr h LEU 182 N 0.24 1.04 -0.46 1.61 6.46 -1.43 -1.90 115.31 120.87 3kdr h LEU 182 Ca 0.04 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.61 3kdr h LEU 182 Cb 0.53 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3kdr h LEU 182 CO 0.04 0.82 -0.14 0.58 -0.62 0.00 0.00 178.44 179.12 3kdr h VAL 183 N 1.17 1.27 -0.43 1.05 2.07 -1.55 -2.90 116.25 116.94 3kdr h VAL 183 Ca 0.30 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 3kdr h VAL 183 Cb 0.01 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3kdr h VAL 183 CO -0.05 0.44 -0.19 0.03 0.02 0.00 0.00 177.57 177.82 3kdr h ARG 184 N 0.75 0.85 -0.49 1.57 3.08 -1.42 -1.98 114.38 116.73 3kdr h ARG 184 Ca 0.11 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.88 3kdr h ARG 184 Cb 0.70 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 3kdr h ARG 184 CO 0.05 0.97 0.24 0.00 -1.07 0.00 0.00 179.97 180.16 3kdr h ALA 185 N 1.04 0.63 0.00 0.04 0.00 -1.38 -1.02 119.26 118.57 3kdr h ALA 185 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kdr h ALA 185 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kdr h ALA 185 CO 0.05 -0.11 -0.38 0.00 0.00 0.00 0.00 179.25 178.82 3kdr h ALA 186 N 1.27 1.36 0.01 0.00 0.00 -1.25 1.00 119.26 121.65 3kdr h ALA 186 Ca 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kdr h ALA 186 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kdr h ALA 186 CO -0.16 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 3kdr h ALA 187 N 1.62 -0.02 0.22 0.00 0.00 -0.98 -1.68 119.26 118.43 3kdr h ALA 187 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kdr h ALA 187 Cb 0.67 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kdr h ALA 187 CO 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 3kdr h ARG 188 N -0.44 -0.45 -0.09 0.00 3.08 -0.79 -3.28 114.38 112.41 3kdr h ARG 188 Ca -0.00 0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3kdr h ARG 188 Cb 0.42 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3kdr h ARG 188 CO 0.00 -0.30 -0.42 0.28 -1.07 0.00 0.00 179.97 178.46 3kdr h VAL 189 N -0.47 1.31 -0.66 2.04 2.07 0.96 -2.56 116.25 118.95 3kdr h VAL 189 Ca -0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3kdr h VAL 189 Cb 0.44 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3kdr h VAL 189 CO -0.05 0.46 0.42 0.00 0.02 0.00 0.00 177.57 178.42 3kdr h ALA 190 N 1.39 0.83 0.01 1.67 0.00 -1.35 -2.53 119.26 119.27 3kdr h ALA 190 Ca 0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 3kdr h ALA 190 Cb 0.83 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3kdr h ALA 190 CO 0.06 0.28 -1.86 1.04 0.00 0.00 0.00 179.25 178.78 3kdr n GLN 191 N -4.61 0.65 -3.59 0.00 6.02 -1.23 -4.64 117.38 109.99 3kdr n GLN 191 Ca 0.05 0.24 -0.27 0.00 -0.01 0.00 0.00 57.00 57.01 3kdr n GLN 191 Cb 0.03 -1.74 -0.10 0.00 1.02 0.00 0.00 30.24 29.46 3kdr n GLN 191 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdr n ASN 192 N -3.02 3.03 0.23 1.08 3.02 -0.96 -4.98 115.26 113.67 3kdr n ASN 192 Ca -0.21 -3.25 0.06 0.00 -0.03 0.00 0.00 54.58 51.15 3kdr n ASN 192 Cb 1.07 -0.70 0.55 0.00 -0.61 0.00 0.00 39.78 40.09 3kdr n ASN 192 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kdr h PRO 193 N 4.69 0.00 -5.37 3.52 0.10 -1.70 -3.40 132.00 129.84 3kdr h PRO 193 Ca 0.18 0.00 -0.64 0.00 0.10 0.00 0.00 66.00 65.64 3kdr h PRO 193 Cb 0.72 0.00 -0.14 0.00 0.10 0.00 0.00 31.00 31.68 3kdr h PRO 193 CO 0.74 0.15 0.05 0.00 0.10 0.00 0.00 178.00 179.05 3kdr s ALA 194 N -4.66 3.47 0.33 -0.75 0.00 -1.26 -1.53 121.76 117.36 3kdr s ALA 194 Ca -0.04 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3kdr s ALA 194 Cb 0.16 -3.10 0.56 0.00 0.00 0.00 0.00 23.12 20.74 3kdr s ALA 194 CO 0.68 -1.26 1.74 0.00 0.00 0.00 0.00 175.76 176.92 3kdr h ALA 195 N 8.44 1.22 -3.32 0.00 0.00 -1.38 -3.44 119.26 120.79 3kdr h ALA 195 Ca -0.27 -0.41 -0.55 0.00 0.00 0.00 0.00 54.91 53.68 3kdr h ALA 195 Cb 1.12 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.49 3kdr h ALA 195 CO 0.80 0.57 -0.82 -1.17 0.00 0.00 0.00 179.25 178.63 3kdr s LEU 196 N -8.08 1.63 -0.18 0.00 2.96 -0.69 -5.04 118.68 109.28 3kdr s LEU 196 Ca -0.03 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3kdr s LEU 196 Cb 0.14 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 3kdr s LEU 196 CO 0.75 0.01 0.10 -0.63 -1.32 0.00 0.00 176.35 175.26 3kdr s ILE 197 N 0.94 5.18 -0.12 6.68 -1.09 -1.26 -1.04 121.20 130.50 3kdr s ILE 197 Ca -0.08 0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.42 3kdr s ILE 197 Cb -0.15 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 3kdr s ILE 197 CO -0.00 0.48 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.43 3kdr s GLU 198 N 0.15 3.28 -0.34 2.79 2.12 -0.05 -4.99 118.70 121.66 3kdr s GLU 198 Ca 0.07 -0.54 -0.10 0.00 0.36 0.00 0.00 54.97 54.76 3kdr s GLU 198 Cb -0.12 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.52 3kdr s GLU 198 CO -0.00 0.42 0.18 -0.51 -0.54 0.00 0.00 175.26 174.80 3kdr s LEU 199 N -0.13 4.42 -0.12 2.70 1.02 -1.26 -1.39 118.68 123.92 3kdr s LEU 199 Ca 0.02 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.43 3kdr s LEU 199 Cb -0.13 -2.01 -0.00 0.00 0.02 0.00 0.00 46.19 44.07 3kdr s LEU 199 CO 0.03 -0.29 -0.20 -0.60 0.02 0.00 0.00 176.35 175.30 3kdr s ARG 200 N 1.58 3.13 0.03 1.70 3.52 -0.11 -4.93 118.95 123.88 3kdr s ARG 200 Ca 0.03 -0.82 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 3kdr s ARG 200 Cb -0.18 -2.43 -0.06 0.00 -1.56 0.00 0.00 34.95 30.72 3kdr s ARG 200 CO 0.06 0.13 0.63 -0.65 -0.81 0.00 0.00 175.30 174.67 3kdr s GLN 201 N 0.49 4.35 0.00 5.12 -1.52 -1.26 -0.68 119.66 126.16 3kdr s GLN 201 Ca -0.14 0.82 0.07 0.00 -1.95 0.00 0.00 55.36 54.17 3kdr s GLN 201 Cb -0.17 -3.32 0.14 0.00 -0.22 0.00 0.00 33.01 29.44 3kdr s GLN 201 CO 0.05 0.41 0.97 -2.37 -0.25 0.00 0.00 175.29 174.11 3kdr n THR 202 N 2.49 0.54 -4.13 -0.19 5.66 0.49 -4.99 114.28 114.16 3kdr n THR 202 Ca -0.07 -0.77 -0.16 0.00 -3.05 0.00 0.00 64.05 60.01 3kdr n THR 202 Cb 0.51 0.81 -0.12 0.00 -1.55 0.00 0.00 70.33 69.98 3kdr n THR 202 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3kdr s ASN 203 N -0.83 1.31 0.00 1.09 -0.87 -1.25 -5.02 114.94 109.37 3kdr s ASN 203 Ca 0.13 -0.61 0.22 0.00 -1.57 0.00 0.00 52.86 51.03 3kdr s ASN 203 Cb 0.07 -0.01 1.32 0.00 -0.02 0.00 0.00 41.25 42.61 3kdr s ASN 203 CO 0.10 -0.15 1.72 -0.46 -2.57 0.00 0.00 177.10 175.74 3kdr n ASN 204 N 1.28 0.00 -3.69 -1.22 6.94 -1.26 -4.93 115.26 112.38 3kdr n ASN 204 Ca -0.21 -0.84 -0.46 0.00 -0.02 0.00 0.00 54.58 53.05 3kdr n ASN 204 Cb 0.55 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.91 3kdr n ASN 204 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kdr n ALA 205 N -0.95 -2.92 -2.51 -2.53 0.00 -1.26 -4.85 120.51 105.49 3kdr n ALA 205 Ca 0.17 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 3kdr n ALA 205 Cb 0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 3kdr n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kdr s GLN 206 N -0.28 4.40 -0.04 0.00 1.11 -1.26 -4.99 119.66 118.59 3kdr s GLN 206 Ca 0.68 1.62 -0.00 0.00 0.01 0.00 0.00 55.36 57.67 3kdr s GLN 206 Cb -0.95 -3.50 0.03 0.00 -1.01 0.00 0.00 33.01 27.57 3kdr s GLN 206 CO 0.47 -0.35 0.00 -0.51 0.01 0.00 0.00 175.29 174.91 3kdr s LEU 207 N 1.81 0.99 0.79 2.90 1.43 -1.26 -5.13 118.68 120.21 3kdr s LEU 207 Ca 0.55 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 3kdr s LEU 207 Cb -0.24 -0.28 0.07 0.00 0.03 0.00 0.00 46.19 45.77 3kdr s LEU 207 CO 0.24 -0.12 1.16 -0.94 0.23 0.00 0.00 176.35 176.91 3kdr s SER 208 N 1.28 3.90 0.35 2.29 1.04 -1.26 -4.88 113.70 116.43 3kdr s SER 208 Ca -0.06 2.19 0.06 0.00 0.48 0.00 0.00 55.95 58.62 3kdr s SER 208 Cb -0.13 -2.57 0.72 0.00 0.10 0.00 0.00 66.02 64.14 3kdr s SER 208 CO -0.02 -2.45 1.93 -0.65 0.98 0.00 0.00 173.24 173.03 3kdr h PRO 209 N -0.91 0.77 -0.72 4.02 0.11 -2.00 -2.17 132.00 131.09 3kdr h PRO 209 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3kdr h PRO 209 Cb 1.27 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3kdr h PRO 209 CO 0.48 0.51 0.33 -0.44 -0.21 0.00 0.00 178.00 178.67 3kdr h ASP 210 N 0.79 0.95 -0.46 -2.05 3.32 -1.98 0.40 116.42 117.39 3kdr h ASP 210 Ca 0.35 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.35 3kdr h ASP 210 Cb 0.34 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 3kdr h ASP 210 CO -0.13 0.83 -0.01 0.44 -1.72 0.00 0.00 179.24 178.65 3kdr h ASP 211 N 1.01 -0.21 0.09 6.45 3.45 -1.78 -0.90 116.42 124.53 3kdr h ASP 211 Ca 0.25 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 3kdr h ASP 211 Cb 0.14 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3kdr h ASP 211 CO -0.03 -0.07 -0.04 0.58 -1.57 0.00 0.00 179.24 178.11 3kdr h VAL 212 N 0.11 1.07 -0.89 -1.35 2.07 -0.76 -3.03 116.25 113.46 3kdr h VAL 212 Ca 0.23 -0.60 0.23 0.00 0.82 0.00 0.00 66.70 67.39 3kdr h VAL 212 Cb 0.34 1.45 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 3kdr h VAL 212 CO -0.39 0.15 0.33 -0.78 0.02 0.00 0.00 177.57 176.90 3kdr h ASP 213 N -0.40 0.19 -0.27 0.57 3.58 0.03 0.60 116.42 120.71 3kdr h ASP 213 Ca -0.01 0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.64 3kdr h ASP 213 Cb 0.34 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 3kdr h ASP 213 CO 0.02 -0.09 0.09 0.03 -2.88 0.00 0.00 179.24 176.41 3kdr h ARG 214 N 0.30 0.20 0.00 0.28 3.08 -1.08 -1.38 114.38 115.78 3kdr h ARG 214 Ca 0.57 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.45 3kdr h ARG 214 Cb 1.13 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3kdr h ARG 214 CO -0.59 0.13 -0.74 -0.84 -1.07 0.00 0.00 179.97 176.86 3kdr h ILE 215 N 0.20 1.36 -0.69 2.04 3.07 -0.86 -2.35 117.51 120.28 3kdr h ILE 215 Ca 0.12 -2.71 -0.05 0.00 1.55 0.00 0.00 64.86 63.78 3kdr h ILE 215 Cb 0.10 2.54 -0.03 0.00 -0.27 0.00 0.00 36.82 39.15 3kdr h ILE 215 CO -0.13 0.73 0.25 0.40 -1.05 0.00 0.00 178.15 178.34 3kdr h ILE 216 N 0.00 1.25 -0.55 0.16 2.04 -0.90 -2.02 117.51 117.49 3kdr h ILE 216 Ca -0.01 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 3kdr h ILE 216 Cb 1.48 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3kdr h ILE 216 CO 0.10 0.32 -0.10 0.78 0.00 0.00 0.00 178.15 179.25 3kdr h ASN 217 N 1.00 1.04 -0.91 1.72 4.21 -1.07 -0.72 115.58 120.85 3kdr h ASN 217 Ca 0.23 -0.35 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 3kdr h ASN 217 Cb 0.25 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.12 3kdr h ASN 217 CO -0.01 1.15 0.55 1.23 -1.29 0.00 0.00 177.43 179.06 3kdr h GLY 218 N 0.92 1.33 1.35 2.83 0.00 -1.16 0.25 103.07 108.59 3kdr h GLY 218 Ca 0.14 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 3kdr h GLY 218 CO 0.05 0.53 -0.49 -0.97 0.00 0.00 0.00 176.54 175.67 3kdr h TYR 219 N 1.26 0.85 -0.74 5.60 0.05 -1.21 -1.89 116.97 120.89 3kdr h TYR 219 Ca 0.33 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3kdr h TYR 219 Cb -0.06 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 3kdr h TYR 219 CO 0.01 1.04 0.41 -0.24 -1.05 0.00 0.00 178.16 178.33 3kdr h VAL 220 N 0.55 1.22 -0.48 -2.88 3.04 -0.68 0.61 116.25 117.62 3kdr h VAL 220 Ca 0.03 -0.54 -0.06 0.00 -1.01 0.00 0.00 66.70 65.12 3kdr h VAL 220 Cb 1.04 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 3kdr h VAL 220 CO 0.10 0.24 0.08 0.00 -1.01 0.00 0.00 177.57 176.98 3kdr h ALA 221 N 1.42 0.64 -0.13 3.17 0.00 -0.75 -2.36 119.26 121.25 3kdr h ALA 221 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kdr h ALA 221 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kdr h ALA 221 CO -0.04 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.66 3kdr h ALA 222 N 0.96 0.17 0.00 0.00 0.00 -0.51 -0.05 119.26 119.83 3kdr h ALA 222 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kdr h ALA 222 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kdr h ALA 222 CO 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 179.25 178.76 3kdr h ARG 223 N 0.17 0.00 -0.00 0.00 3.08 -0.78 0.95 114.38 117.80 3kdr h ARG 223 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kdr h ARG 223 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kdr h ARG 223 CO -0.01 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.59 3kdr n ARG 224 N -4.16 1.01 -0.63 0.04 1.74 -0.90 -4.93 116.66 108.82 3kdr n ARG 224 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3kdr n ARG 224 Cb 0.23 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3kdr n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdr n GLY 225 N 0.99 0.79 3.76 -0.13 0.00 0.33 -5.06 105.19 105.87 3kdr n GLY 225 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3kdr n GLY 225 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kdr s ARG 226 N -0.37 2.58 -1.86 1.61 1.70 -0.07 -3.04 118.95 119.51 3kdr s ARG 226 Ca 0.00 1.41 0.00 0.00 -0.47 0.00 0.00 55.73 56.67 3kdr s ARG 226 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.46 3kdr s ARG 226 CO 0.00 -1.43 0.00 0.09 -1.08 0.00 0.00 175.30 172.88 3kdr n ASN 227 N -2.67 -5.43 -2.64 -2.89 3.02 -1.26 -2.57 115.26 100.82 3kdr n ASN 227 Ca 0.11 0.22 -0.19 0.00 -0.03 0.00 0.00 54.58 54.68 3kdr n ASN 227 Cb 0.52 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 3kdr n ASN 227 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kdr n SER 228 N -1.66 -5.28 0.00 6.41 2.88 -1.17 -1.75 113.62 113.05 3kdr n SER 228 Ca -0.22 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 3kdr n SER 228 Cb 0.66 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 3kdr n SER 228 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdr n GLY 229 N -1.10 0.53 3.82 0.46 0.00 -1.06 -5.03 105.19 102.81 3kdr n GLY 229 Ca -0.17 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 3kdr n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdr s VAL 230 N -2.00 5.44 0.18 1.61 1.01 -0.71 -4.87 120.40 121.06 3kdr s VAL 230 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3kdr s VAL 230 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3kdr s VAL 230 CO 0.00 0.55 0.04 -0.83 0.00 0.00 0.00 175.10 174.86 3kdr s GLY 231 N -0.52 1.30 -0.03 4.51 0.00 -1.26 -4.59 107.32 106.73 3kdr s GLY 231 Ca 0.13 -1.63 0.06 0.00 0.00 0.00 0.00 44.72 43.28 3kdr s GLY 231 CO 0.03 -1.51 -0.21 -0.12 0.00 0.00 0.00 173.10 171.29 3kdr s PHE 232 N -3.77 1.98 -0.25 1.90 5.36 -1.26 -5.05 117.98 116.88 3kdr s PHE 232 Ca 0.28 -0.47 -0.00 0.00 -0.96 0.00 0.00 56.93 55.78 3kdr s PHE 232 Cb 0.07 -1.30 0.04 0.00 -0.34 0.00 0.00 43.02 41.49 3kdr s PHE 232 CO 0.06 -0.10 -0.08 -1.12 -1.46 0.00 0.00 175.22 172.52 3kdr s SER 233 N -0.31 4.29 1.22 6.13 0.01 -1.26 -4.86 113.70 118.92 3kdr s SER 233 Ca 0.03 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.11 3kdr s SER 233 Cb -0.10 -1.63 0.29 0.00 0.21 0.00 0.00 66.02 64.79 3kdr s SER 233 CO 0.01 -0.14 1.04 -0.94 0.41 0.00 0.00 173.24 173.61 3kdr s SER 234 N 1.27 0.66 0.18 2.44 1.04 -1.26 -4.81 113.70 113.22 3kdr s SER 234 Ca -0.02 0.97 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 3kdr s SER 234 Cb -0.17 -1.45 -0.08 0.00 0.10 0.00 0.00 66.02 64.41 3kdr s SER 234 CO -0.05 -4.32 1.30 -0.55 0.98 0.00 0.00 173.24 170.60 3kdr s SER 235 N -3.31 6.91 0.00 7.02 0.15 -1.26 -2.29 113.70 120.92 3kdr s SER 235 Ca 0.69 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.70 3kdr s SER 235 Cb -0.16 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 3kdr s SER 235 CO 0.59 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3kdr n GLY 236 N 2.51 1.80 3.86 9.45 0.00 -1.26 -4.91 105.19 116.64 3kdr n GLY 236 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3kdr n GLY 236 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdr s LEU 237 N 0.00 4.43 -0.01 0.99 2.96 -0.97 -0.38 118.68 125.70 3kdr s LEU 237 Ca 0.00 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3kdr s LEU 237 Cb 0.00 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3kdr s LEU 237 CO 0.00 0.33 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.71 3kdr s GLU 238 N -1.21 0.36 -0.01 1.98 2.02 0.15 -4.70 118.70 117.28 3kdr s GLU 238 Ca 0.22 -0.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.95 3kdr s GLU 238 Cb -0.15 -0.37 -0.06 0.00 0.10 0.00 0.00 34.13 33.65 3kdr s GLU 238 CO 0.11 0.05 0.42 0.14 0.02 0.00 0.00 175.26 176.00 3kdr s VAL 239 N 0.12 5.03 -0.04 2.63 -7.23 -1.26 -0.93 120.40 118.72 3kdr s VAL 239 Ca -0.01 0.86 0.03 0.00 -1.81 0.00 0.00 61.98 61.05 3kdr s VAL 239 Cb -0.04 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3kdr s VAL 239 CO -0.00 0.56 -0.12 -1.00 -0.31 0.00 0.00 175.10 174.23 3kdr s HIS 240 N -0.93 1.24 0.07 2.82 3.76 -0.49 -5.00 115.29 116.77 3kdr s HIS 240 Ca 0.24 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 3kdr s HIS 240 Cb -0.17 -0.87 -0.07 0.00 1.11 0.00 0.00 32.58 32.59 3kdr s HIS 240 CO 0.13 -0.14 0.58 -1.21 -0.85 0.00 0.00 174.74 173.25 3kdr s GLU 241 N 0.22 4.23 0.03 1.40 2.02 -1.26 -0.87 118.70 124.47 3kdr s GLU 241 Ca -0.05 0.76 -0.05 0.00 0.02 0.00 0.00 54.97 55.65 3kdr s GLU 241 Cb -0.10 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 3kdr s GLU 241 CO 0.01 0.61 0.09 -1.01 0.02 0.00 0.00 175.26 174.99 3kdr s HIS 242 N -1.04 0.18 0.28 1.61 3.76 -0.20 -4.97 115.29 114.90 3kdr s HIS 242 Ca 0.30 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3kdr s HIS 242 Cb -0.20 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.36 3kdr s HIS 242 CO 0.19 -0.34 0.00 0.39 -0.85 0.00 0.00 174.74 174.14 3kdr n GLU 243 N 0.96 -2.16 -4.34 1.40 -0.58 -1.26 -1.71 120.64 112.95 3kdr n GLU 243 Ca -0.20 1.64 -0.24 0.00 -0.42 0.00 0.00 57.16 57.94 3kdr n GLU 243 Cb 0.58 -1.95 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 3kdr n GLU 243 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdr s ALA 245 N -3.75 2.07 -0.49 0.62 0.00 -0.58 -2.48 121.76 117.15 3kdr s ALA 245 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 3kdr s ALA 245 Cb 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.92 3kdr s ALA 245 CO 0.00 0.34 0.62 0.15 0.00 0.00 0.00 175.76 176.87 3kdr s LYS 246 N -2.40 3.15 0.19 0.00 -0.14 -1.26 -4.94 119.74 114.34 3kdr s LYS 246 Ca 0.13 -0.78 -0.06 0.00 -1.36 0.00 0.00 55.97 53.90 3kdr s LYS 246 Cb -0.08 -4.06 0.10 0.00 -1.68 0.00 0.00 37.83 32.11 3kdr s LYS 246 CO 0.06 -1.17 1.56 1.05 -0.76 0.00 0.00 175.35 176.09 3kdr h GLU 247 N 8.96 0.78 -0.59 1.68 4.11 -2.01 -2.65 114.58 124.87 3kdr h GLU 247 Ca -0.27 -0.38 -0.04 0.00 0.07 0.00 0.00 59.36 58.75 3kdr h GLU 247 Cb 1.10 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3kdr h GLU 247 CO 0.94 1.00 0.21 -0.91 0.07 0.00 0.00 179.01 180.33 3kdr h ASN 248 N 0.65 0.79 -0.55 3.06 2.35 -1.99 0.64 115.58 120.54 3kdr h ASN 248 Ca 0.07 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3kdr h ASN 248 Cb 0.88 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3kdr h ASN 248 CO 0.08 0.73 0.36 -0.07 -1.65 0.00 0.00 177.43 176.88 3kdr h LEU 249 N 0.85 0.61 -0.94 1.61 3.38 -1.90 -1.10 115.31 117.81 3kdr h LEU 249 Ca 0.20 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3kdr h LEU 249 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kdr h LEU 249 CO -0.01 0.43 -0.29 -0.07 0.09 0.00 0.00 178.44 178.59 3kdr h LEU 250 N 0.72 0.42 0.02 1.67 3.38 -1.15 0.10 115.31 120.48 3kdr h LEU 250 Ca 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kdr h LEU 250 Cb -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kdr h LEU 250 CO -0.06 0.71 -0.01 0.40 0.09 0.00 0.00 178.44 179.57 3kdr h ILE 251 N 0.37 1.41 -0.15 1.22 2.04 -0.30 -2.63 117.51 119.47 3kdr h ILE 251 Ca 0.05 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 3kdr h ILE 251 Cb 0.70 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3kdr h ILE 251 CO 0.05 0.35 -0.20 -0.33 0.00 0.00 0.00 178.15 178.03 3kdr h GLU 252 N -0.65 0.25 -0.34 2.37 4.39 -1.28 -3.03 114.58 116.30 3kdr h GLU 252 Ca -0.00 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 3kdr h GLU 252 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3kdr h GLU 252 CO 0.01 0.45 -0.14 0.78 -1.16 0.00 0.00 179.01 178.95 3kdr h GLY 253 N 0.88 0.64 0.96 -3.84 0.00 -0.73 -1.28 103.07 99.70 3kdr h GLY 253 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3kdr h GLY 253 CO 0.03 0.43 0.21 -0.09 0.00 0.00 0.00 176.54 177.12 3kdr h ARG 254 N 0.54 0.59 -0.26 4.80 2.43 -1.34 0.44 114.38 121.58 3kdr h ARG 254 Ca 0.09 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3kdr h ARG 254 Cb 0.55 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3kdr h ARG 254 CO 0.03 0.50 -0.21 -0.97 -1.51 0.00 0.00 179.97 177.81 3kdr h ASN 255 N 0.54 0.64 -0.99 -3.80 -1.24 -1.46 -2.33 115.58 106.94 3kdr h ASN 255 Ca 0.14 -0.45 0.11 0.00 0.71 0.00 0.00 56.30 56.81 3kdr h ASN 255 Cb 0.10 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 38.88 3kdr h ASN 255 CO -0.02 0.96 0.62 0.00 -1.29 0.00 0.00 177.43 177.70 3kdr h ALA 256 N 0.70 1.47 -0.67 1.57 0.00 -1.02 -0.65 119.26 120.66 3kdr h ALA 256 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kdr h ALA 256 Cb 0.76 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kdr h ALA 256 CO 0.06 0.26 0.37 0.00 0.00 0.00 0.00 179.25 179.93 3kdr h ALA 257 N 1.52 0.86 -0.37 0.00 0.00 0.21 -1.37 119.26 120.11 3kdr h ALA 257 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kdr h ALA 257 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kdr h ALA 257 CO -0.25 0.38 0.24 0.00 0.00 0.00 0.00 179.25 179.62 3kdr h ALA 258 N 1.18 0.47 -0.59 0.00 0.00 -0.62 -0.68 119.26 119.01 3kdr h ALA 258 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kdr h ALA 258 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kdr h ALA 258 CO -0.04 -0.06 0.19 0.28 0.00 0.00 0.00 179.25 179.63 3kdr h VAL 259 N 0.50 1.22 -0.19 0.00 2.07 -0.85 -0.02 116.25 118.98 3kdr h VAL 259 Ca 0.14 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3kdr h VAL 259 Cb -0.04 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kdr h VAL 259 CO -0.03 0.29 -0.39 0.44 0.02 0.00 0.00 177.57 177.90 3kdr h ASP 260 N 0.86 0.45 -0.48 0.57 3.32 -0.68 0.11 116.42 120.57 3kdr h ASP 260 Ca 0.20 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3kdr h ASP 260 Cb 0.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kdr h ASP 260 CO -0.01 0.80 0.15 0.58 -1.72 0.00 0.00 179.24 179.04 3kdr h VAL 261 N 0.36 1.23 -0.73 -1.35 2.07 -0.32 -1.22 116.25 116.29 3kdr h VAL 261 Ca 0.03 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3kdr h VAL 261 Cb 0.85 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3kdr h VAL 261 CO 0.07 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.35 3kdr h ALA 262 N 1.00 0.99 -0.09 1.67 0.00 -0.34 -2.98 119.26 119.51 3kdr h ALA 262 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kdr h ALA 262 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kdr h ALA 262 CO -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 3kdr h ARG 263 N 0.75 0.18 -1.80 0.00 3.08 -0.44 -1.80 114.38 114.35 3kdr h ARG 263 Ca 0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3kdr h ARG 263 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kdr h ARG 263 CO -0.19 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 3kdr n ALA 264 N -2.32 1.32 -2.60 0.04 0.00 -0.49 -4.62 120.51 111.84 3kdr n ALA 264 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 3kdr n ALA 264 Cb 0.23 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.85 3kdr n ALA 264 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kdr n ASN 266 N 0.92 -0.84 -4.22 0.00 5.15 -0.75 -5.00 115.26 110.53 3kdr n ASN 266 Ca 0.00 -1.67 -0.19 0.00 -0.60 0.00 0.00 54.58 52.12 3kdr n ASN 266 Cb 0.00 0.43 -0.12 0.00 -0.53 0.00 0.00 39.78 39.57 3kdr n ASN 266 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kdr s VAL 267 N 0.07 1.29 0.40 3.44 1.01 -0.76 -4.10 120.40 121.75 3kdr s VAL 267 Ca 0.05 -1.50 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 3kdr s VAL 267 Cb 0.23 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 3kdr s VAL 267 CO -0.06 -0.27 1.02 -2.84 0.00 0.00 0.00 175.10 172.95 3kdr s PRO 268 N -2.13 4.20 0.31 2.72 0.02 -1.26 -4.26 135.00 134.60 3kdr s PRO 268 Ca 0.04 1.43 -0.00 0.00 0.02 0.00 0.00 61.00 62.48 3kdr s PRO 268 Cb -0.08 -2.50 0.49 0.00 0.02 0.00 0.00 34.50 32.43 3kdr s PRO 268 CO 0.03 -0.09 1.94 0.00 -0.33 0.00 0.00 177.00 178.55 3kdr h ALA 269 N 2.46 1.39 0.00 -1.55 0.00 -1.90 -0.93 119.26 118.73 3kdr h ALA 269 Ca -0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3kdr h ALA 269 Cb 1.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kdr h ALA 269 CO 0.62 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 180.33 3kdr h ALA 270 N 1.48 1.50 -0.13 0.00 0.00 -1.93 0.86 119.26 121.04 3kdr h ALA 270 Ca 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3kdr h ALA 270 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kdr h ALA 270 CO -0.04 0.06 -0.20 0.74 0.00 0.00 0.00 179.25 179.81 3kdr h PHE 271 N 0.00 0.23 -0.54 0.00 -1.00 -1.50 -2.52 116.94 111.61 3kdr h PHE 271 Ca -0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3kdr h PHE 271 Cb 0.12 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3kdr h PHE 271 CO 0.00 0.41 0.00 0.44 -1.61 0.00 0.00 178.31 177.55 3kdr n ILE 272 N -4.22 2.13 -2.22 -0.55 -5.35 -0.15 -4.95 119.36 104.05 3kdr n ILE 272 Ca -0.01 -1.37 -0.13 0.00 -0.27 0.00 0.00 62.75 60.97 3kdr n ILE 272 Cb 0.32 -0.03 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 3kdr n ILE 272 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kdr n ASP 273 N 0.64 -4.05 -4.85 7.28 8.00 -0.32 -5.00 116.55 118.26 3kdr n ASP 273 Ca 0.25 -0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.41 3kdr n ASP 273 Cb 0.95 -3.23 -0.06 0.00 -0.02 0.00 0.00 41.12 38.76 3kdr n ASP 273 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kdr s ALA 274 N -2.64 3.46 -0.04 2.24 0.00 0.11 -4.97 121.76 119.93 3kdr s ALA 274 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 3kdr s ALA 274 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3kdr s ALA 274 CO 0.00 0.40 -0.00 0.95 0.00 0.00 0.00 175.76 177.11 3kdr s THR 275 N -1.73 4.21 0.04 0.00 -4.23 -1.26 -3.69 115.64 108.98 3kdr s THR 275 Ca 0.46 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 3kdr s THR 275 Cb -0.13 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3kdr s THR 275 CO 0.19 0.49 0.00 0.52 -0.54 0.00 0.00 174.62 175.29 3kdr n VAL 276 N 1.77 0.43 0.00 2.29 0.31 -1.26 -4.96 118.33 116.91 3kdr n VAL 276 Ca -0.16 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kdr n VAL 276 Cb 0.53 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3kdr n VAL 276 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kdr n GLN 284 N -2.87 0.00 -1.33 5.55 1.13 -1.26 -5.19 117.38 113.41 3kdr n GLN 284 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3kdr n GLN 284 Cb 0.00 0.00 0.17 0.00 0.11 0.00 0.00 30.24 30.52 3kdr n GLN 284 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kdr s ASN 285 N 1.00 2.71 0.29 1.08 4.22 -1.26 -4.84 114.94 118.13 3kdr s ASN 285 Ca 0.00 0.97 0.03 0.00 -2.14 0.00 0.00 52.86 51.72 3kdr s ASN 285 Cb 0.00 -1.52 0.44 0.00 1.28 0.00 0.00 41.25 41.45 3kdr s ASN 285 CO 0.00 -3.05 1.75 0.00 -2.04 0.00 0.00 177.10 173.75 3kdr h ALA 286 N -1.84 1.14 -0.30 3.54 0.00 -2.02 -1.68 119.26 118.10 3kdr h ALA 286 Ca -0.52 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 3kdr h ALA 286 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kdr h ALA 286 CO 0.55 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 180.23 3kdr h ALA 287 N 1.34 0.41 -0.61 0.00 0.00 -1.98 -2.95 119.26 115.47 3kdr h ALA 287 Ca 0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3kdr h ALA 287 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kdr h ALA 287 CO 0.04 0.28 0.02 0.77 0.00 0.00 0.00 179.25 180.35 3kdr h SER 288 N 0.36 1.03 0.00 0.00 0.02 -1.91 -0.87 113.55 112.18 3kdr h SER 288 Ca 0.07 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3kdr h SER 288 Cb 0.62 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3kdr h SER 288 CO 0.04 1.07 0.00 0.54 -1.14 0.00 0.00 176.83 177.34 3kdr n ARG 289 N -4.18 0.17 0.00 3.45 1.74 -0.65 -1.66 116.66 115.53 3kdr n ARG 289 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3kdr n ARG 289 Cb 0.34 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3kdr n ARG 289 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kdr n ILE 291 N 0.78 0.00 -0.17 0.55 5.41 -0.33 -1.28 119.36 124.31 3kdr n ILE 291 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 3kdr n ILE 291 Cb 0.07 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.02 3kdr n ILE 291 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kdr h GLU 292 N 0.00 0.67 -0.04 0.38 4.57 -1.59 0.72 114.58 119.29 3kdr h GLU 292 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kdr h GLU 292 Cb 0.00 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3kdr h GLU 292 CO 0.00 0.45 0.01 1.25 -1.18 0.00 0.00 179.01 179.54 3kdr h LEU 293 N 0.69 0.07 -0.14 1.64 5.85 -1.44 -2.45 115.31 119.52 3kdr h LEU 293 Ca 0.19 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kdr h LEU 293 Cb -0.07 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kdr h LEU 293 CO -0.04 0.29 0.05 0.58 -0.34 0.00 0.00 178.44 178.98 3kdr h VAL 294 N -0.16 0.96 -0.00 1.05 2.07 -1.78 0.45 116.25 118.84 3kdr h VAL 294 Ca 0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kdr h VAL 294 Cb 0.25 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kdr h VAL 294 CO 0.00 0.02 0.00 0.74 0.02 0.00 0.00 177.57 178.35 3kdr h THR 295 N 0.11 1.04 0.00 2.57 2.02 0.63 -0.88 112.91 118.40 3kdr h THR 295 Ca 0.06 -0.10 -0.37 0.00 0.77 0.00 0.00 66.41 66.77 3kdr h THR 295 Cb 0.04 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3kdr h THR 295 CO -0.07 0.03 -2.39 0.49 0.37 0.00 0.00 175.52 173.95 3kdr n PHE 296 N -5.07 0.00 -0.03 3.16 3.72 -0.94 -4.42 117.46 113.89 3kdr n PHE 296 Ca -0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.14 3kdr n PHE 296 Cb 0.05 -0.99 -0.13 0.00 -0.94 0.00 0.00 39.48 37.47 3kdr n PHE 296 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kdr h GLY 297 N 3.73 0.15 0.00 1.37 0.00 -0.24 -3.43 103.07 104.65 3kdr h GLY 297 Ca -0.55 -0.38 -0.35 0.00 0.00 0.00 0.00 47.33 46.05 3kdr h GLY 297 CO 0.02 0.34 -2.32 -0.62 0.00 0.00 0.00 176.54 173.95 3kdr n VAL 298 N -4.29 1.32 0.19 4.60 0.31 -0.85 -4.42 118.33 115.20 3kdr n VAL 298 Ca -0.19 -0.80 0.06 0.00 -0.01 0.00 0.00 64.34 63.39 3kdr n VAL 298 Cb 0.70 -0.53 0.53 0.00 -0.91 0.00 0.00 33.84 33.63 3kdr n VAL 298 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kdr h GLU 299 N 0.00 0.11 -0.72 5.55 4.39 -1.37 -1.58 114.58 120.96 3kdr h GLU 299 Ca -0.52 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 3kdr h GLU 299 Cb 2.17 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.77 3kdr h GLU 299 CO 0.02 0.17 0.23 -1.35 -1.16 0.00 0.00 179.01 176.92 3kdr h PRO 300 N 0.11 1.12 -1.38 2.33 0.10 -1.84 0.44 132.00 132.88 3kdr h PRO 300 Ca 0.03 -0.24 0.00 0.00 0.10 0.00 0.00 66.00 65.89 3kdr h PRO 300 Cb 0.15 -0.16 0.00 0.00 0.10 0.00 0.00 31.00 31.09 3kdr h PRO 300 CO 0.01 0.96 0.00 1.28 0.10 0.00 0.00 178.00 180.34 3kdr n LEU 301 N -4.28 1.42 0.00 2.35 4.77 -0.60 -1.64 117.00 119.02 3kdr n LEU 301 Ca 0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3kdr n LEU 301 Cb 0.22 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3kdr n LEU 301 CO 0.41 0.24 0.00 -1.20 -1.33 0.00 0.00 177.39 175.52 3kdr n SER 303 N 0.69 0.00 -0.12 -1.43 7.64 0.15 -2.17 113.62 118.38 3kdr n SER 303 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3kdr n SER 303 Cb 0.24 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3kdr n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdr h ALA 304 N 0.00 0.53 -0.22 -0.43 0.00 -1.54 -2.13 119.26 115.48 3kdr h ALA 304 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3kdr h ALA 304 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kdr h ALA 304 CO 0.00 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 3kdr h ILE 305 N 0.62 1.26 -0.78 0.00 2.04 -1.72 -2.90 117.51 116.04 3kdr h ILE 305 Ca 0.08 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3kdr h ILE 305 Cb 0.81 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 3kdr h ILE 305 CO 0.07 0.28 0.43 -0.33 0.00 0.00 0.00 178.15 178.60 3kdr h GLU 306 N 0.16 0.71 -0.78 2.37 5.08 -1.81 -1.68 114.58 118.62 3kdr h GLU 306 Ca 0.06 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3kdr h GLU 306 Cb 0.42 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3kdr h GLU 306 CO 0.01 0.47 0.42 0.00 -1.00 0.00 0.00 179.01 178.92 3kdr h ALA 307 N 1.44 1.12 0.16 3.43 0.00 -1.18 0.15 119.26 124.37 3kdr h ALA 307 Ca 0.37 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.03 3kdr h ALA 307 Cb 0.34 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kdr h ALA 307 CO -0.24 0.02 -1.30 -0.09 0.00 0.00 0.00 179.25 177.64 3kdr h ARG 308 N 0.70 0.51 0.00 0.00 9.65 -1.30 -3.04 114.38 120.90 3kdr h ARG 308 Ca 0.39 -0.75 -0.06 0.00 -1.10 0.00 0.00 59.98 58.45 3kdr h ARG 308 Cb 0.40 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 3kdr h ARG 308 CO -0.27 1.34 -0.30 -0.07 2.80 0.00 0.00 179.97 183.47 3kdr h LEU 309 N 0.19 0.00 -3.54 3.80 3.38 -0.71 -2.94 115.31 115.49 3kdr h LEU 309 Ca -0.19 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.37 3kdr h LEU 309 Cb 1.98 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 42.53 3kdr h LEU 309 CO 0.24 0.30 0.53 0.59 0.09 0.00 0.00 178.44 180.19 3kdr n ASN 310 N -3.51 5.66 -4.69 -0.43 5.03 0.47 -3.07 115.26 114.71 3kdr n ASN 310 Ca -0.00 -3.23 -0.24 0.00 0.87 0.00 0.00 54.58 51.97 3kdr n ASN 310 Cb 0.46 -0.92 -0.07 0.00 -1.02 0.00 0.00 39.78 38.23 3kdr n ASN 310 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kdr s GLN 311 N -2.41 2.49 0.49 3.52 -1.52 -1.11 -4.80 119.66 116.32 3kdr s GLN 311 Ca 0.41 -1.19 0.24 0.00 -1.95 0.00 0.00 55.36 52.86 3kdr s GLN 311 Cb 0.33 -2.34 1.29 0.00 -0.22 0.00 0.00 33.01 32.07 3kdr s GLN 311 CO 0.02 0.41 2.03 -1.00 -0.25 0.00 0.00 175.29 176.51 3kdr h PRO 312 N 2.17 0.00 -0.26 2.91 0.13 -1.89 0.19 132.00 135.26 3kdr h PRO 312 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kdr h PRO 312 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kdr h PRO 312 CO 0.60 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 3kdr n ASP 313 N -3.81 0.26 -4.56 1.44 5.75 -1.26 -3.68 116.55 110.68 3kdr n ASP 313 Ca -0.02 -0.78 -0.38 0.00 -0.01 0.00 0.00 54.79 53.59 3kdr n ASP 313 Cb 0.25 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 3kdr n ASP 313 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3kdr n HIS 315 N 0.03 1.57 0.07 2.11 -0.00 0.05 -4.96 115.22 114.09 3kdr n HIS 315 Ca 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 57.72 57.77 3kdr n HIS 315 Cb 0.06 -2.66 0.28 0.00 -0.00 0.00 0.00 29.99 27.67 3kdr n HIS 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kdr h ALA 316 N 18.05 1.26 -0.63 1.57 0.00 -1.78 -2.80 119.26 134.92 3kdr h ALA 316 Ca -0.29 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.02 3kdr h ALA 316 Cb 1.26 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 3kdr h ALA 316 CO 1.10 0.49 0.37 -3.47 0.00 0.00 0.00 179.25 177.75 3kdr n ASP 317 N -4.16 3.64 -0.19 0.00 2.03 -1.26 -4.60 116.55 112.01 3kdr n ASP 317 Ca -0.01 -3.02 0.15 0.00 0.52 0.00 0.00 54.79 52.44 3kdr n ASP 317 Cb 0.37 -0.71 0.48 0.00 -0.72 0.00 0.00 41.12 40.53 3kdr n ASP 317 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3kdr h HIS 318 N 1.03 0.56 0.12 -0.67 2.07 -1.69 -1.82 115.15 114.74 3kdr h HIS 318 Ca 0.36 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.89 3kdr h HIS 318 Cb 2.15 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 31.96 3kdr h HIS 318 CO 1.03 0.20 -0.06 1.25 -3.07 0.00 0.00 177.93 177.29 3kdr h LEU 319 N 0.47 -0.14 -0.12 6.12 5.85 -1.89 -1.77 115.31 123.83 3kdr h LEU 319 Ca 0.39 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 3kdr h LEU 319 Cb 0.85 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.93 3kdr h LEU 319 CO -0.14 0.30 -0.52 0.00 -0.34 0.00 0.00 178.44 177.75 3kdr h ALA 320 N 0.15 0.22 -2.61 1.25 0.00 -1.93 -3.40 119.26 112.95 3kdr h ALA 320 Ca -0.02 -0.51 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 3kdr h ALA 320 Cb 0.48 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.86 3kdr h ALA 320 CO 0.03 0.42 -0.84 -0.80 0.00 0.00 0.00 179.25 178.05 3kdr s ASN 321 N -6.71 2.57 0.95 0.00 0.01 -0.69 -4.99 114.94 106.07 3kdr s ASN 321 Ca -0.12 -3.23 -0.12 0.00 -0.71 0.00 0.00 52.86 48.68 3kdr s ASN 321 Cb 0.06 -0.81 0.16 0.00 0.41 0.00 0.00 41.25 41.07 3kdr s ASN 321 CO 0.83 -0.16 1.09 -2.16 -1.51 0.00 0.00 177.10 175.20 3kdr s PRO 322 N -0.31 0.84 -0.23 -0.60 0.04 -0.67 -4.37 135.00 129.71 3kdr s PRO 322 Ca 0.29 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.22 3kdr s PRO 322 Cb -0.01 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3kdr s PRO 322 CO -0.17 -2.56 -0.02 -1.17 0.04 0.00 0.00 177.00 173.12 3kdr s LEU 323 N -6.45 3.00 0.04 -3.56 2.96 -1.26 -4.29 118.68 109.11 3kdr s LEU 323 Ca 0.65 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 3kdr s LEU 323 Cb -0.20 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3kdr s LEU 323 CO 0.58 -0.03 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.93 3kdr s LYS 324 N 1.50 0.79 0.56 1.98 3.01 0.21 -4.85 119.74 122.94 3kdr s LYS 324 Ca 0.06 -0.72 -0.19 0.00 -1.01 0.00 0.00 55.97 54.11 3kdr s LYS 324 Cb -0.14 -0.75 -0.05 0.00 -1.01 0.00 0.00 37.83 35.88 3kdr s LYS 324 CO -0.02 0.18 1.17 -0.06 0.51 0.00 0.00 175.35 177.13 3kdr s PHE 325 N -0.92 2.54 -0.69 3.18 0.08 -1.26 0.14 117.98 121.06 3kdr s PHE 325 Ca -0.01 1.53 0.05 0.00 0.12 0.00 0.00 56.93 58.62 3kdr s PHE 325 Cb -0.08 -3.39 0.17 0.00 -0.57 0.00 0.00 43.02 39.15 3kdr s PHE 325 CO 0.01 -1.90 0.50 -3.47 -0.10 0.00 0.00 175.22 170.26 3kdr n ASP 326 N -1.40 2.85 0.31 1.36 2.03 0.01 -4.88 116.55 116.84 3kdr n ASP 326 Ca 0.12 -3.17 0.19 0.00 0.52 0.00 0.00 54.79 52.45 3kdr n ASP 326 Cb 0.50 -0.74 1.05 0.00 -0.72 0.00 0.00 41.12 41.20 3kdr n ASP 326 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kdr h PRO 327 N 5.35 0.00 -0.51 -0.67 0.11 -1.95 -1.60 132.00 132.72 3kdr h PRO 327 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kdr h PRO 327 Cb 0.76 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 3kdr h PRO 327 CO 0.70 0.00 0.33 0.00 -0.21 0.00 0.00 178.00 178.82 3kdr h ALA 328 N 1.96 1.61 -0.80 -0.75 0.00 -1.99 -1.33 119.26 117.97 3kdr h ALA 328 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3kdr h ALA 328 Cb 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kdr h ALA 328 CO -0.00 0.35 0.52 0.00 0.00 0.00 0.00 179.25 180.12 3kdr h ALA 329 N 1.66 1.74 -0.62 0.00 0.00 -1.71 -1.10 119.26 119.23 3kdr h ALA 329 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kdr h ALA 329 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kdr h ALA 329 CO -0.04 0.10 0.09 -0.07 0.00 0.00 0.00 179.25 179.33 3kdr h LEU 330 N 0.75 1.00 -0.73 0.00 3.38 -1.38 -2.66 115.31 115.68 3kdr h LEU 330 Ca 0.36 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3kdr h LEU 330 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kdr h LEU 330 CO -0.14 1.01 -0.17 -0.07 0.09 0.00 0.00 178.44 179.16 3kdr h LEU 331 N 0.95 0.79 -1.27 1.67 4.07 -1.15 -3.06 115.31 117.31 3kdr h LEU 331 Ca 0.19 -0.27 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 3kdr h LEU 331 Cb 0.45 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3kdr h LEU 331 CO 0.01 0.96 0.01 0.44 -1.08 0.00 0.00 178.44 178.79 3kdr h ASP 332 N 0.70 0.47 -0.02 -0.43 3.32 -1.24 -2.47 116.42 116.75 3kdr h ASP 332 Ca 0.11 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3kdr h ASP 332 Cb 0.68 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3kdr h ASP 332 CO 0.05 0.53 -0.08 0.00 -1.72 0.00 0.00 179.24 178.02 3kdr h ALA 333 N 1.53 1.58 -2.43 3.45 0.00 -1.37 -3.41 119.26 118.61 3kdr h ALA 333 Ca 0.11 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 3kdr h ALA 333 Cb 0.30 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kdr h ALA 333 CO 0.01 0.31 1.09 0.42 0.00 0.00 0.00 179.25 181.07 3kdr s ILE 334 N -4.83 2.93 1.07 0.00 1.01 -0.93 -4.99 121.20 115.46 3kdr s ILE 334 Ca -0.06 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 3kdr s ILE 334 Cb 0.16 -3.18 0.23 0.00 0.01 0.00 0.00 42.46 39.67 3kdr s ILE 334 CO 0.72 -0.01 1.07 -2.84 0.00 0.00 0.00 174.94 173.88 3kdr s PRO 335 N 3.17 -0.14 0.00 2.79 0.02 -1.26 -5.02 135.00 134.56 3kdr s PRO 335 Ca 0.79 0.66 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3kdr s PRO 335 Cb -0.42 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3kdr s PRO 335 CO 0.35 -3.15 0.48 0.25 -0.33 0.00 0.00 177.00 174.60