#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1k n GLY 34 N 0.00 3.09 3.77 3.38 0.00 -1.26 -5.05 105.19 109.12 2r1k n GLY 34 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2r1k n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r1k s ASP 35 N -1.14 7.31 0.07 1.61 1.01 -1.26 -5.00 116.67 119.28 2r1k s ASP 35 Ca 0.00 1.56 0.10 0.00 0.71 0.00 0.00 52.55 54.91 2r1k s ASP 35 Cb 0.00 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2r1k s ASP 35 CO 0.00 0.15 -0.26 -0.76 0.21 0.00 0.00 175.17 174.50 2r1k s LEU 36 N -0.77 2.23 -0.04 1.23 1.43 -1.26 -0.31 118.68 121.20 2r1k s LEU 36 Ca 0.36 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2r1k s LEU 36 Cb -0.22 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2r1k s LEU 36 CO 0.25 0.23 -0.18 -0.63 0.23 0.00 0.00 176.35 176.25 2r1k s ILE 37 N -0.89 1.45 0.01 -0.59 1.01 -0.45 -4.48 121.20 117.26 2r1k s ILE 37 Ca 0.13 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2r1k s ILE 37 Cb -0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2r1k s ILE 37 CO 0.03 0.42 1.03 0.20 0.00 0.00 0.00 174.94 176.62 2r1k s ASN 38 N -0.05 7.30 0.44 3.58 0.02 -1.26 -1.63 114.94 123.34 2r1k s ASN 38 Ca -0.02 1.75 0.04 0.00 -1.02 0.00 0.00 52.86 53.61 2r1k s ASN 38 Cb -0.11 -2.57 -0.05 0.00 0.02 0.00 0.00 41.25 38.54 2r1k s ASN 38 CO 0.02 -0.31 0.02 0.42 0.02 0.00 0.00 177.10 177.26 2r1k s THR 39 N 1.03 1.57 -1.18 1.60 -4.23 -0.39 -4.37 115.64 109.66 2r1k s THR 39 Ca 0.54 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 2r1k s THR 39 Cb -0.23 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.15 2r1k s THR 39 CO 0.28 0.00 1.47 1.33 -0.54 0.00 0.00 174.62 177.16 2r1k n VAL 40 N -1.05 0.79 -0.27 2.29 0.24 0.15 -1.54 118.33 118.93 2r1k n VAL 40 Ca -0.10 0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 2r1k n VAL 40 Cb 0.67 -0.94 0.24 0.00 -1.47 0.00 0.00 33.84 32.34 2r1k n VAL 40 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2r1k n ARG 41 N -1.41 2.80 0.00 7.34 1.74 -1.26 -4.70 116.66 121.17 2r1k n ARG 41 Ca 0.05 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 2r1k n ARG 41 Cb 0.15 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2r1k n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r1k n GLY 42 N 1.10 -1.31 3.75 -0.13 0.00 -0.59 -5.04 105.19 102.98 2r1k n GLY 42 Ca 0.18 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2r1k n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2r1k s PRO 43 N -0.43 4.49 0.07 1.61 0.04 -1.26 -1.26 135.00 138.26 2r1k s PRO 43 Ca 0.00 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.05 2r1k s PRO 43 Cb 0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2r1k s PRO 43 CO 0.00 -0.04 -0.14 0.96 0.04 0.00 0.00 177.00 177.82 2r1k s ILE 44 N -0.65 1.11 0.25 0.56 -4.36 -0.64 -4.92 121.20 112.55 2r1k s ILE 44 Ca 0.50 -1.26 -0.30 0.00 -0.26 0.00 0.00 60.65 59.33 2r1k s ILE 44 Cb -0.35 -1.06 -0.10 0.00 1.25 0.00 0.00 42.46 42.21 2r1k s ILE 44 CO 0.42 -0.19 1.45 -2.84 0.24 0.00 0.00 174.94 174.02 2r1k s PRO 45 N -1.65 4.26 0.30 0.37 0.02 -1.26 -1.34 135.00 135.70 2r1k s PRO 45 Ca -0.02 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.32 2r1k s PRO 45 Cb -0.10 -3.10 0.69 0.00 0.02 0.00 0.00 34.50 32.01 2r1k s PRO 45 CO 0.02 -0.43 1.57 0.28 -0.33 0.00 0.00 177.00 178.11 2r1k h VAL 46 N 3.52 0.02 0.00 3.83 2.07 -0.98 0.17 116.25 124.88 2r1k h VAL 46 Ca -0.46 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2r1k h VAL 46 Cb 1.22 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2r1k h VAL 46 CO 0.78 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.83 2r1k n SER 47 N -5.52 0.13 0.00 0.57 3.41 -1.26 -1.60 113.62 109.34 2r1k n SER 47 Ca 0.22 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2r1k n SER 47 Cb 0.70 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 64.18 2r1k n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2r1k n GLU 48 N -1.65 0.03 -0.25 4.33 1.02 0.05 -4.21 120.64 119.95 2r1k n GLU 48 Ca 0.02 -0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 2r1k n GLU 48 Cb 0.10 -1.51 0.38 0.00 -0.02 0.00 0.00 31.44 30.39 2r1k n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2r1k h ALA 49 N 2.95 1.83 -0.70 0.62 0.00 -1.36 -3.48 119.26 119.13 2r1k h ALA 49 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r1k h ALA 49 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2r1k h ALA 49 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2r1k n GLY 50 N -1.44 1.90 3.59 0.00 0.00 -1.26 -3.53 105.19 104.44 2r1k n GLY 50 Ca 0.16 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2r1k n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2r1k s PHE 51 N 0.00 1.40 -0.14 1.61 2.19 -1.26 -4.46 117.98 117.32 2r1k s PHE 51 Ca 0.00 0.79 0.02 0.00 0.33 0.00 0.00 56.93 58.07 2r1k s PHE 51 Cb 0.00 -3.94 0.01 0.00 -1.31 0.00 0.00 43.02 37.78 2r1k s PHE 51 CO 0.00 -3.25 -0.22 0.99 1.83 0.00 0.00 175.22 174.58 2r1k s THR 52 N 8.67 2.05 -0.47 0.12 2.01 -0.69 -0.67 115.64 126.65 2r1k s THR 52 Ca 0.90 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 2r1k s THR 52 Cb -0.25 -1.82 0.03 0.00 0.01 0.00 0.00 72.50 70.48 2r1k s THR 52 CO 0.31 0.55 0.78 -0.76 -0.69 0.00 0.00 174.62 174.81 2r1k s LEU 53 N 0.88 4.33 0.00 4.42 1.43 -0.37 -4.86 118.68 124.51 2r1k s LEU 53 Ca -0.05 -0.26 0.28 0.00 -1.03 0.00 0.00 54.13 53.07 2r1k s LEU 53 Cb -0.15 -2.86 1.11 0.00 0.03 0.00 0.00 46.19 44.32 2r1k s LEU 53 CO -0.03 -0.95 1.78 0.35 0.23 0.00 0.00 176.35 177.73 2r1k n THR 54 N 6.06 0.00 -3.41 5.49 -2.24 -1.26 -0.08 114.28 118.84 2r1k n THR 54 Ca 0.01 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 2r1k n THR 54 Cb 0.48 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2r1k n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2r1k s HIS 55 N -2.28 -0.32 0.23 4.78 5.65 -1.26 -4.62 115.29 117.47 2r1k s HIS 55 Ca 0.33 -0.37 -0.08 0.00 0.25 0.00 0.00 55.06 55.19 2r1k s HIS 55 Cb 0.20 -0.52 -0.02 0.00 -1.18 0.00 0.00 32.58 31.07 2r1k s HIS 55 CO 0.43 -0.91 0.34 -1.21 -0.65 0.00 0.00 174.74 172.74 2r1k s GLU 56 N 2.19 1.41 0.01 2.88 0.41 -0.71 -1.48 118.70 123.42 2r1k s GLU 56 Ca 0.10 -1.41 0.01 0.00 -0.41 0.00 0.00 54.97 53.26 2r1k s GLU 56 Cb -0.15 0.39 -0.01 0.00 -1.78 0.00 0.00 34.13 32.59 2r1k s GLU 56 CO -0.29 -0.55 -0.03 -1.01 -0.49 0.00 0.00 175.26 172.89 2r1k s HIS 57 N -4.07 0.25 -0.01 1.61 3.76 -0.46 -1.19 115.29 115.20 2r1k s HIS 57 Ca 0.29 -0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.81 2r1k s HIS 57 Cb 0.02 -0.16 -0.21 0.00 1.11 0.00 0.00 32.58 33.33 2r1k s HIS 57 CO 0.10 -0.05 1.12 0.82 -0.85 0.00 0.00 174.74 175.89 2r1k h ILE 58 N 4.95 1.45 -2.99 0.60 1.08 -1.95 -3.31 117.51 117.34 2r1k h ILE 58 Ca -0.28 -1.89 -0.21 0.00 -0.39 0.00 0.00 64.86 62.10 2r1k h ILE 58 Cb 1.20 2.50 -0.31 0.00 -3.07 0.00 0.00 36.82 37.15 2r1k h ILE 58 CO 0.48 0.54 -0.51 0.00 -0.69 0.00 0.00 178.15 177.96 2r1k s GLY 60 N 1.66 1.72 0.00 0.00 0.00 0.21 -4.80 107.32 106.11 2r1k s GLY 60 Ca -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.77 2r1k s GLY 60 CO -0.08 1.58 0.00 -1.26 0.00 0.00 0.00 173.10 173.34 2r1k n SER 61 N 6.41 0.00 -4.12 1.64 2.88 0.11 0.16 113.62 120.69 2r1k n SER 61 Ca -0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.36 2r1k n SER 61 Cb 0.44 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 2r1k n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2r1k s SER 62 N 1.00 0.96 0.09 -3.46 0.01 -1.21 -3.85 113.70 107.24 2r1k s SER 62 Ca 0.00 -0.85 -0.36 0.00 1.31 0.00 0.00 55.95 56.06 2r1k s SER 62 Cb 0.00 0.09 -0.16 0.00 0.21 0.00 0.00 66.02 66.16 2r1k s SER 62 CO 0.00 -0.39 1.45 0.00 0.41 0.00 0.00 173.24 174.71 2r1k n ALA 63 N 0.50 -0.12 0.00 1.44 0.00 -1.21 -1.96 120.51 119.15 2r1k n ALA 63 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2r1k n ALA 63 Cb 0.59 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2r1k n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1k n GLY 64 N 2.94 2.98 0.10 0.00 0.00 -1.26 -4.88 105.19 105.06 2r1k n GLY 64 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2r1k n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2r1k h PHE 65 N 0.00 0.21 -0.95 1.61 3.57 -1.75 -1.85 116.94 117.78 2r1k h PHE 65 Ca 0.00 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.46 2r1k h PHE 65 Cb 0.00 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2r1k h PHE 65 CO 0.00 0.53 0.63 1.25 -2.23 0.00 0.00 178.31 178.49 2r1k h LEU 66 N -0.17 1.09 -0.70 0.59 5.85 -1.86 0.56 115.31 120.68 2r1k h LEU 66 Ca 0.02 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2r1k h LEU 66 Cb 0.47 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2r1k h LEU 66 CO 0.01 0.79 0.43 -0.09 -0.34 0.00 0.00 178.44 179.24 2r1k h ARG 67 N 1.29 0.80 0.12 1.25 2.43 -1.93 -3.08 114.38 115.25 2r1k h ARG 67 Ca 0.35 -0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 59.18 2r1k h ARG 67 Cb -0.15 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.22 2r1k h ARG 67 CO -0.08 0.53 -1.45 0.00 -1.51 0.00 0.00 179.97 177.46 2r1k h ALA 68 N 1.32 0.23 -2.02 2.80 0.00 -0.88 -3.41 119.26 117.31 2r1k h ALA 68 Ca 0.29 -1.05 -0.50 0.00 0.00 0.00 0.00 54.91 53.66 2r1k h ALA 68 Cb 0.08 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.67 2r1k h ALA 68 CO -0.13 1.10 -1.15 1.87 0.00 0.00 0.00 179.25 180.94 2r1k n TRP 69 N -3.46 0.37 0.26 0.00 -0.00 0.15 -4.96 117.44 109.78 2r1k n TRP 69 Ca -0.14 -3.80 0.11 0.00 -0.00 0.00 0.00 57.50 53.66 2r1k n TRP 69 Cb 1.04 -0.42 0.68 0.00 -0.00 0.00 0.00 31.31 32.61 2r1k n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2r1k h PRO 70 N 3.12 0.00 0.00 5.87 0.13 -1.70 -2.64 132.00 136.78 2r1k h PRO 70 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2r1k h PRO 70 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2r1k h PRO 70 CO 0.52 0.12 -0.00 0.93 -0.23 0.00 0.00 178.00 179.33 2r1k h GLU 71 N 0.00 0.00 -0.74 0.86 3.07 -1.91 -1.12 114.58 114.74 2r1k h GLU 71 Ca -0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 2r1k h GLU 71 Cb 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 2r1k h GLU 71 CO 0.02 0.00 0.50 0.35 -1.40 0.00 0.00 179.01 178.48 2r1k h PHE 72 N 0.00 0.47 -0.54 4.33 3.57 -1.88 -1.21 116.94 121.68 2r1k h PHE 72 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2r1k h PHE 72 Cb 0.18 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2r1k h PHE 72 CO 0.00 0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.45 2r1k n PHE 73 N -4.47 1.45 0.00 0.41 3.72 -0.42 -4.96 117.46 113.19 2r1k n PHE 73 Ca 0.14 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2r1k n PHE 73 Cb 0.53 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2r1k n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r1k n GLY 74 N 0.87 2.03 3.80 1.37 0.00 -0.46 -4.28 105.19 108.53 2r1k n GLY 74 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 2r1k n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r1k s SER 75 N 0.00 -0.20 0.25 1.61 1.04 -1.24 -4.27 113.70 110.90 2r1k s SER 75 Ca 0.00 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 2r1k s SER 75 Cb 0.00 0.59 0.29 0.00 0.10 0.00 0.00 66.02 67.01 2r1k s SER 75 CO 0.00 -1.11 1.82 -0.09 0.98 0.00 0.00 173.24 174.84 2r1k h ARG 76 N 2.00 1.03 -0.04 4.02 2.43 -1.88 -1.32 114.38 120.62 2r1k h ARG 76 Ca -0.22 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2r1k h ARG 76 Cb 1.24 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2r1k h ARG 76 CO 0.25 0.85 0.01 -0.22 -1.51 0.00 0.00 179.97 179.35 2r1k h LYS 77 N 1.00 0.06 -0.67 0.20 3.64 -1.95 0.32 116.57 119.18 2r1k h LYS 77 Ca 0.23 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 2r1k h LYS 77 Cb 0.22 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2r1k h LYS 77 CO -0.02 0.31 0.28 0.00 -2.27 0.00 0.00 179.45 177.75 2r1k h ALA 78 N 0.75 0.90 0.01 5.00 0.00 -1.83 -1.49 119.26 122.61 2r1k h ALA 78 Ca 0.01 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2r1k h ALA 78 Cb 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2r1k h ALA 78 CO 0.00 -0.16 -0.12 1.25 0.00 0.00 0.00 179.25 180.22 2r1k h LEU 79 N 0.46 -0.34 -1.14 0.00 5.85 -0.99 -1.75 115.31 117.41 2r1k h LEU 79 Ca 0.35 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 2r1k h LEU 79 Cb 0.44 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2r1k h LEU 79 CO -0.32 -0.17 0.49 0.00 -0.34 0.00 0.00 178.44 178.10 2r1k h ALA 80 N 0.75 1.36 -0.27 1.25 0.00 -0.82 -1.19 119.26 120.35 2r1k h ALA 80 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2r1k h ALA 80 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2r1k h ALA 80 CO -0.11 0.56 -0.12 0.93 0.00 0.00 0.00 179.25 180.51 2r1k h GLU 81 N 1.10 0.55 -0.41 0.00 5.08 -1.00 0.52 114.58 120.42 2r1k h GLU 81 Ca 0.29 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2r1k h GLU 81 Cb -0.07 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 2r1k h GLU 81 CO -0.06 0.79 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.52 2r1k h LYS 82 N 0.28 0.10 0.11 2.33 3.64 -1.20 -1.73 116.57 120.11 2r1k h LYS 82 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2r1k h LYS 82 Cb 0.62 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2r1k h LYS 82 CO 0.04 0.07 -0.06 0.00 -2.27 0.00 0.00 179.45 177.23 2r1k h ALA 83 N 1.36 -0.15 -0.56 5.00 0.00 -0.95 -0.67 119.26 123.29 2r1k h ALA 83 Ca 0.20 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2r1k h ALA 83 Cb 0.28 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2r1k h ALA 83 CO -0.34 -0.59 0.18 0.28 0.00 0.00 0.00 179.25 178.79 2r1k h VAL 84 N -0.16 0.76 -0.16 0.00 2.07 -0.76 -1.33 116.25 116.68 2r1k h VAL 84 Ca -0.01 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2r1k h VAL 84 Cb 0.12 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2r1k h VAL 84 CO 0.02 0.06 -0.02 0.03 0.02 0.00 0.00 177.57 177.69 2r1k h ARG 85 N 0.35 0.03 -0.42 1.57 3.08 -1.20 -0.52 114.38 117.27 2r1k h ARG 85 Ca 0.28 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.40 2r1k h ARG 85 Cb 0.35 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2r1k h ARG 85 CO -0.30 0.02 0.05 0.78 -1.07 0.00 0.00 179.97 179.45 2r1k h GLY 86 N 0.03 0.47 1.84 0.04 0.00 -1.04 -1.32 103.07 103.10 2r1k h GLY 86 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 2r1k h GLY 86 CO -0.15 -0.07 -0.67 1.41 0.00 0.00 0.00 176.54 177.07 2r1k h LEU 87 N 0.17 0.19 -0.77 3.11 3.38 -1.02 -2.05 115.31 118.32 2r1k h LEU 87 Ca 0.21 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2r1k h LEU 87 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2r1k h LEU 87 CO -0.30 0.80 0.02 0.03 0.09 0.00 0.00 178.44 179.08 2r1k h ARG 88 N 0.11 0.95 -0.26 1.13 3.08 -0.88 0.13 114.38 118.65 2r1k h ARG 88 Ca -0.01 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2r1k h ARG 88 Cb 1.19 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2r1k h ARG 88 CO 0.10 0.93 0.15 1.25 -1.07 0.00 0.00 179.97 181.33 2r1k h HIS 89 N 0.88 0.28 -0.64 3.04 2.76 -1.08 0.54 115.15 120.93 2r1k h HIS 89 Ca 0.17 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2r1k h HIS 89 Cb 0.49 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 2r1k h HIS 89 CO 0.03 0.16 0.27 0.00 -1.30 0.00 0.00 177.93 177.10 2r1k h ALA 90 N 1.12 0.83 -0.24 5.26 0.00 -1.23 -2.11 119.26 122.89 2r1k h ALA 90 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2r1k h ALA 90 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2r1k h ALA 90 CO -0.05 0.43 0.16 -0.09 0.00 0.00 0.00 179.25 179.70 2r1k h ARG 91 N 0.89 0.31 -0.07 0.00 2.43 -0.39 -1.45 114.38 116.10 2r1k h ARG 91 Ca 0.22 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2r1k h ARG 91 Cb 0.18 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2r1k h ARG 91 CO -0.02 0.21 0.05 0.00 -1.51 0.00 0.00 179.97 178.69 2r1k h ALA 92 N 1.09 2.02 -0.00 2.80 0.00 -0.49 -0.59 119.26 124.09 2r1k h ALA 92 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2r1k h ALA 92 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2r1k h ALA 92 CO -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 2r1k n ALA 93 N -2.54 2.65 0.00 0.00 0.00 -0.83 -4.89 120.51 114.89 2r1k n ALA 93 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2r1k n ALA 93 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2r1k n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1k n GLY 94 N 1.10 0.75 3.65 0.00 0.00 -0.23 -4.84 105.19 105.63 2r1k n GLY 94 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2r1k n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1k s VAL 95 N -2.00 3.68 -0.16 1.61 1.01 -0.59 -4.47 120.40 119.47 2r1k s VAL 95 Ca 0.00 0.81 0.18 0.00 0.00 0.00 0.00 61.98 62.97 2r1k s VAL 95 Cb 0.00 -3.58 -0.26 0.00 0.00 0.00 0.00 36.38 32.55 2r1k s VAL 95 CO 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 175.10 175.11 2r1k n GLN 96 N 7.24 0.76 -3.83 2.72 6.02 0.15 -4.09 117.38 126.35 2r1k n GLN 96 Ca 0.17 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.99 2r1k n GLN 96 Cb 0.44 -1.51 -0.15 0.00 1.02 0.00 0.00 30.24 30.04 2r1k n GLN 96 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2r1k s THR 97 N -2.66 -0.02 0.06 5.09 2.01 -0.93 -1.99 115.64 117.20 2r1k s THR 97 Ca -0.09 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.06 2r1k s THR 97 Cb 0.07 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.51 2r1k s THR 97 CO 0.82 0.04 -0.17 0.27 -0.69 0.00 0.00 174.62 174.89 2r1k s ILE 98 N 0.42 2.87 -0.45 1.82 -4.36 -0.45 -1.23 121.20 119.81 2r1k s ILE 98 Ca -0.04 -1.24 -0.17 0.00 -0.26 0.00 0.00 60.65 58.94 2r1k s ILE 98 Cb -0.05 -2.24 0.04 0.00 1.25 0.00 0.00 42.46 41.46 2r1k s ILE 98 CO -0.01 0.28 0.46 -0.69 0.24 0.00 0.00 174.94 175.22 2r1k s VAL 99 N -0.99 5.08 -0.49 8.37 1.01 0.88 -1.71 120.40 132.55 2r1k s VAL 99 Ca 0.16 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2r1k s VAL 99 Cb -0.11 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2r1k s VAL 99 CO 0.07 -0.54 0.99 -0.62 0.00 0.00 0.00 175.10 175.00 2r1k s ASP 100 N 2.19 6.49 -0.31 3.32 -1.08 0.22 -1.73 116.67 125.76 2r1k s ASP 100 Ca 0.11 0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.28 2r1k s ASP 100 Cb -0.19 -2.48 0.51 0.00 -1.46 0.00 0.00 42.92 39.30 2r1k s ASP 100 CO 0.11 -1.16 1.64 1.33 0.52 0.00 0.00 175.17 177.61 2r1k n VAL 101 N 6.49 2.53 -2.54 1.11 0.24 -0.33 -3.27 118.33 122.57 2r1k n VAL 101 Ca 0.07 -1.35 -0.43 0.00 -2.04 0.00 0.00 64.34 60.59 2r1k n VAL 101 Cb 0.48 -0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 2r1k n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2r1k s SER 102 N -0.67 7.00 0.79 -1.34 0.01 -1.26 -4.94 113.70 113.29 2r1k s SER 102 Ca 0.42 1.50 -0.08 0.00 1.31 0.00 0.00 55.95 59.10 2r1k s SER 102 Cb 0.35 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 64.16 2r1k s SER 102 CO 0.09 -0.74 1.10 0.42 0.41 0.00 0.00 173.24 174.52 2r1k s THR 103 N 3.41 2.15 0.11 1.44 -4.23 -1.26 -4.29 115.64 112.96 2r1k s THR 103 Ca 0.49 -0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2r1k s THR 103 Cb -0.18 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 70.88 2r1k s THR 103 CO 0.11 0.00 0.78 0.33 -0.54 0.00 0.00 174.62 175.30 2r1k n PHE 104 N -3.15 -0.04 1.55 3.99 7.35 -1.26 -1.64 117.46 124.25 2r1k n PHE 104 Ca 0.12 0.62 0.14 0.00 -0.76 0.00 0.00 57.45 57.58 2r1k n PHE 104 Cb 0.60 -0.65 0.61 0.00 0.35 0.00 0.00 39.48 40.39 2r1k n PHE 104 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2r1k n ASP 105 N -4.71 0.89 -0.54 -2.13 5.75 -1.26 -1.17 116.55 113.37 2r1k n ASP 105 Ca 0.04 -1.10 0.08 0.00 -0.01 0.00 0.00 54.79 53.81 2r1k n ASP 105 Cb 0.18 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.57 2r1k n ASP 105 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2r1k n ILE 106 N -0.44 0.29 -2.71 2.12 5.41 -0.65 -4.02 119.36 119.36 2r1k n ILE 106 Ca 0.18 -0.36 -0.18 0.00 1.00 0.00 0.00 62.75 63.39 2r1k n ILE 106 Cb 0.29 0.27 0.02 0.00 -0.71 0.00 0.00 39.64 39.51 2r1k n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2r1k n GLY 107 N 1.07 -0.31 3.56 7.39 0.00 -0.32 -0.71 105.19 115.87 2r1k n GLY 107 Ca 0.14 -0.08 -0.57 0.00 0.00 0.00 0.00 46.02 45.51 2r1k n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r1k n ARG 108 N -3.18 0.45 -3.83 1.61 0.63 -0.93 -4.72 116.66 106.68 2r1k n ARG 108 Ca -0.13 0.16 -0.29 0.00 -0.92 0.00 0.00 57.85 56.67 2r1k n ARG 108 Cb 0.62 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.67 2r1k n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2r1k s ASP 109 N 0.63 4.03 0.53 6.15 -1.08 -1.26 -4.88 116.67 120.79 2r1k s ASP 109 Ca 0.90 -3.00 0.22 0.00 -0.52 0.00 0.00 52.55 50.15 2r1k s ASP 109 Cb -1.17 -1.37 1.38 0.00 -1.46 0.00 0.00 42.92 40.30 2r1k s ASP 109 CO 0.56 -0.22 2.08 1.62 0.52 0.00 0.00 175.17 179.74 2r1k h VAL 110 N 5.21 0.82 -0.32 1.11 3.04 -1.98 -1.58 116.25 122.55 2r1k h VAL 110 Ca -0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2r1k h VAL 110 Cb 0.88 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 2r1k h VAL 110 CO 0.60 0.00 0.06 0.03 -1.01 0.00 0.00 177.57 177.25 2r1k h ARG 111 N 0.00 0.52 -0.64 4.17 3.08 -1.99 -0.35 114.38 119.18 2r1k h ARG 111 Ca 0.11 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.09 2r1k h ARG 111 Cb 0.48 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 2r1k h ARG 111 CO -0.00 0.61 0.33 1.25 -1.07 0.00 0.00 179.97 181.08 2r1k h LEU 112 N 0.35 0.45 -0.37 3.04 5.85 -1.75 -1.91 115.31 120.97 2r1k h LEU 112 Ca 0.10 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2r1k h LEU 112 Cb 0.34 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2r1k h LEU 112 CO 0.01 0.29 0.17 -0.07 -0.34 0.00 0.00 178.44 178.49 2r1k h LEU 113 N 0.59 0.50 -0.46 2.25 4.07 -1.02 -1.52 115.31 119.71 2r1k h LEU 113 Ca 0.30 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.13 2r1k h LEU 113 Cb 0.24 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2r1k h LEU 113 CO -0.21 0.50 0.28 0.00 -1.08 0.00 0.00 178.44 177.92 2r1k h ALA 114 N 1.02 0.58 -0.34 1.53 0.00 -0.97 -0.85 119.26 120.23 2r1k h ALA 114 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2r1k h ALA 114 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2r1k h ALA 114 CO -0.01 -0.03 0.22 1.49 0.00 0.00 0.00 179.25 180.91 2r1k h GLU 115 N 0.56 0.45 -0.11 0.00 4.81 -1.15 -1.69 114.58 117.45 2r1k h GLU 115 Ca 0.18 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 2r1k h GLU 115 Cb -0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2r1k h GLU 115 CO -0.08 0.32 -0.68 -0.39 -0.73 0.00 0.00 179.01 177.45 2r1k h VAL 116 N 0.45 1.36 -0.06 0.32 -1.51 -1.19 -1.67 116.25 113.95 2r1k h VAL 116 Ca 0.12 -2.03 0.03 0.00 -1.23 0.00 0.00 66.70 63.59 2r1k h VAL 116 Cb -0.03 2.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 2r1k h VAL 116 CO -0.03 0.62 -0.10 -1.28 -1.23 0.00 0.00 177.57 175.55 2r1k h SER 117 N 0.33 -0.31 0.15 4.19 0.87 -1.14 0.82 113.55 118.45 2r1k h SER 117 Ca -0.02 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2r1k h SER 117 Cb 1.24 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2r1k h SER 117 CO 0.12 -0.14 -0.11 0.03 -0.53 0.00 0.00 176.83 176.19 2r1k h ARG 118 N -0.15 -0.26 -0.26 2.24 3.08 -1.25 -0.24 114.38 117.53 2r1k h ARG 118 Ca 0.06 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2r1k h ARG 118 Cb 0.23 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2r1k h ARG 118 CO -0.15 -0.18 -0.06 0.00 -1.07 0.00 0.00 179.97 178.52 2r1k h ALA 119 N 0.56 1.42 0.00 0.04 0.00 -1.21 -3.08 119.26 116.99 2r1k h ALA 119 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2r1k h ALA 119 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2r1k h ALA 119 CO -0.01 0.41 -0.83 0.00 0.00 0.00 0.00 179.25 178.82 2r1k n ALA 120 N -2.48 3.20 -3.63 0.00 0.00 0.27 -4.97 120.51 112.90 2r1k n ALA 120 Ca 0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 2r1k n ALA 120 Cb 0.26 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.70 2r1k n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2r1k n ASP 121 N -2.01 -2.50 -4.15 0.00 2.03 -0.13 -4.66 116.55 105.14 2r1k n ASP 121 Ca 0.03 -0.72 -0.28 0.00 0.52 0.00 0.00 54.79 54.34 2r1k n ASP 121 Cb 0.43 -4.48 -0.16 0.00 -0.72 0.00 0.00 41.12 36.19 2r1k n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2r1k s VAL 122 N -3.49 1.59 0.34 5.18 1.01 -1.04 -5.04 120.40 118.95 2r1k s VAL 122 Ca 0.15 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2r1k s VAL 122 Cb -0.07 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 2r1k s VAL 122 CO 0.78 0.45 1.37 -1.00 0.00 0.00 0.00 175.10 176.70 2r1k s HIS 123 N 0.21 2.92 -0.09 5.22 3.76 -0.84 -4.53 115.29 121.95 2r1k s HIS 123 Ca -0.09 1.32 -0.00 0.00 -0.15 0.00 0.00 55.06 56.13 2r1k s HIS 123 Cb -0.14 -3.78 0.02 0.00 1.11 0.00 0.00 32.58 29.79 2r1k s HIS 123 CO 0.04 -2.23 -0.05 0.42 -0.85 0.00 0.00 174.74 172.07 2r1k s ILE 124 N -1.04 0.78 -0.13 0.60 1.01 -1.26 -1.34 121.20 119.82 2r1k s ILE 124 Ca 0.51 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 2r1k s ILE 124 Cb -0.42 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2r1k s ILE 124 CO 0.55 0.32 0.59 -0.69 0.00 0.00 0.00 174.94 175.71 2r1k s VAL 125 N 1.59 5.09 0.57 2.92 1.01 -0.70 -0.67 120.40 130.20 2r1k s VAL 125 Ca 0.01 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 2r1k s VAL 125 Cb -0.13 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2r1k s VAL 125 CO -0.05 0.23 0.84 0.00 0.00 0.00 0.00 175.10 176.11 2r1k s ALA 126 N 1.16 3.51 0.09 5.51 0.00 -1.26 -0.61 121.76 130.15 2r1k s ALA 126 Ca 0.30 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.40 2r1k s ALA 126 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2r1k s ALA 126 CO 0.12 -0.77 -0.26 0.00 0.00 0.00 0.00 175.76 174.85 2r1k s ALA 127 N -2.88 2.24 0.04 0.00 0.00 -1.20 -0.80 121.76 119.15 2r1k s ALA 127 Ca 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2r1k s ALA 127 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2r1k s ALA 127 CO 0.42 0.51 0.03 -2.37 0.00 0.00 0.00 175.76 174.35 2r1k n THR 128 N 1.31 0.00 0.00 0.00 5.66 -0.01 -4.68 114.28 116.56 2r1k n THR 128 Ca -0.18 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2r1k n THR 128 Cb 0.53 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 2r1k n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2r1k n GLY 129 N 4.56 -1.30 3.11 1.09 0.00 -1.26 -4.40 105.19 107.00 2r1k n GLY 129 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 2r1k n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r1k s LEU 130 N 0.00 0.67 0.00 0.99 1.43 -1.26 -4.27 118.68 116.24 2r1k s LEU 130 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 2r1k s LEU 130 Cb 0.00 0.85 0.00 0.00 0.03 0.00 0.00 46.19 47.07 2r1k s LEU 130 CO 0.00 -0.13 0.00 1.87 0.23 0.00 0.00 176.35 178.32 2r1k n TRP 131 N 3.59 0.00 -0.84 0.29 -0.00 -1.26 -3.50 117.44 115.72 2r1k n TRP 131 Ca -0.19 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.39 2r1k n TRP 131 Cb 0.56 0.00 0.38 0.00 -0.00 0.00 0.00 31.31 32.24 2r1k n TRP 131 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 177.69 179.66 2r1k n PHE 132 N 0.00 1.80 -2.01 5.87 1.16 -1.26 -4.28 117.46 118.73 2r1k n PHE 132 Ca 0.00 -0.72 -0.23 0.00 -1.87 0.00 0.00 57.45 54.63 2r1k n PHE 132 Cb 0.00 -0.42 0.03 0.00 -1.61 0.00 0.00 39.48 37.47 2r1k n PHE 132 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2r1k n ASP 133 N 0.62 4.87 -4.75 5.98 2.03 -1.26 -5.09 116.55 118.94 2r1k n ASP 133 Ca 0.26 -3.75 -0.41 0.00 0.52 0.00 0.00 54.79 51.41 2r1k n ASP 133 Cb 1.08 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 2r1k n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2r1k s PRO 134 N -3.59 4.33 0.91 -0.67 0.04 -1.26 -4.87 135.00 129.89 2r1k s PRO 134 Ca 0.51 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.60 2r1k s PRO 134 Cb 0.41 -3.12 0.16 0.00 0.04 0.00 0.00 34.50 31.99 2r1k s PRO 134 CO 0.04 -0.30 1.28 -1.25 0.04 0.00 0.00 177.00 176.80 2r1k s PRO 135 N -0.71 1.05 0.31 0.56 0.04 -1.26 -4.74 135.00 130.25 2r1k s PRO 135 Ca 0.55 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.35 2r1k s PRO 135 Cb -0.40 -1.89 0.57 0.00 0.04 0.00 0.00 34.50 32.83 2r1k s PRO 135 CO 0.44 -2.16 1.90 -0.07 0.04 0.00 0.00 177.00 177.15 2r1k h LEU 136 N -1.45 0.88 -2.61 -3.56 3.38 -1.97 -0.93 115.31 109.04 2r1k h LEU 136 Ca -0.45 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2r1k h LEU 136 Cb 1.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2r1k h LEU 136 CO 0.46 0.54 -0.00 0.28 0.09 0.00 0.00 178.44 179.81 2r1k h SER 137 N 0.98 0.00 0.01 -0.43 0.02 -1.99 -1.24 113.55 110.89 2r1k h SER 137 Ca 0.41 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.13 2r1k h SER 137 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2r1k h SER 137 CO -0.17 0.00 -1.26 0.24 -1.14 0.00 0.00 176.83 174.50 2r1k h MET 138 N 0.00 0.02 -0.18 3.45 2.86 -1.58 -3.40 114.93 116.10 2r1k h MET 138 Ca -0.00 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2r1k h MET 138 Cb 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2r1k h MET 138 CO 0.00 1.02 0.25 0.00 1.06 0.00 0.00 176.91 179.23 2r1k h ARG 139 N -0.92 0.00 -0.00 1.72 3.08 -0.97 -1.24 114.38 116.05 2r1k h ARG 139 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2r1k h ARG 139 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2r1k h ARG 139 CO -0.18 0.00 -0.02 -1.33 -1.07 0.00 0.00 179.97 177.37 2r1k n MET 140 N -3.61 0.06 -2.35 0.04 2.81 -0.49 -4.92 117.12 108.66 2r1k n MET 140 Ca 0.02 -0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 2r1k n MET 140 Cb 0.36 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2r1k n MET 140 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2r1k s ARG 141 N -2.94 3.86 0.53 0.03 1.81 -0.47 -5.09 118.95 116.67 2r1k s ARG 141 Ca 0.16 1.00 -0.02 0.00 -1.72 0.00 0.00 55.73 55.15 2r1k s ARG 141 Cb 0.19 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.58 2r1k s ARG 141 CO 0.53 -0.35 0.79 -1.54 -0.68 0.00 0.00 175.30 174.04 2r1k s SER 142 N -2.99 5.59 0.20 0.23 1.04 -1.26 -4.89 113.70 111.62 2r1k s SER 142 Ca 0.60 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.31 2r1k s SER 142 Cb -0.11 -1.45 0.15 0.00 0.10 0.00 0.00 66.02 64.71 2r1k s SER 142 CO 0.32 -0.96 1.87 1.62 0.98 0.00 0.00 173.24 177.07 2r1k h VAL 143 N 0.08 1.16 -0.81 5.02 3.04 -1.99 0.57 116.25 123.33 2r1k h VAL 143 Ca -0.45 -0.32 0.08 0.00 -1.01 0.00 0.00 66.70 64.99 2r1k h VAL 143 Cb 1.27 0.14 -0.07 0.00 -2.01 0.00 0.00 31.29 30.62 2r1k h VAL 143 CO 0.58 0.17 0.47 -0.33 -1.01 0.00 0.00 177.57 177.45 2r1k h GLU 144 N 0.93 0.81 -0.13 4.17 3.07 -1.94 -1.24 114.58 120.25 2r1k h GLU 144 Ca 0.27 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 58.85 2r1k h GLU 144 Cb -0.07 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 27.67 2r1k h GLU 144 CO -0.07 0.54 -0.82 0.93 -1.40 0.00 0.00 179.01 178.18 2r1k h GLU 145 N 0.84 0.78 -0.99 2.33 5.08 -1.62 -2.72 114.58 118.28 2r1k h GLU 145 Ca 0.37 -0.66 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2r1k h GLU 145 Cb 0.26 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2r1k h GLU 145 CO -0.21 1.26 0.65 -0.07 -1.00 0.00 0.00 179.01 179.65 2r1k h LEU 146 N 0.52 1.11 -0.90 1.33 3.38 -0.85 -1.45 115.31 118.45 2r1k h LEU 146 Ca -0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2r1k h LEU 146 Cb 1.45 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 2r1k h LEU 146 CO 0.17 0.78 0.59 0.74 0.09 0.00 0.00 178.44 180.81 2r1k h THR 147 N 1.30 1.20 -0.23 0.22 2.02 -1.17 0.63 112.91 116.86 2r1k h THR 147 Ca 0.38 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 2r1k h THR 147 Cb -0.08 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.22 2r1k h THR 147 CO -0.10 0.22 -0.35 1.56 0.37 0.00 0.00 175.52 177.22 2r1k h GLN 148 N 1.19 0.50 -0.01 6.66 1.08 -1.12 -0.64 115.11 122.76 2r1k h GLN 148 Ca 0.34 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2r1k h GLN 148 Cb -0.08 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2r1k h GLN 148 CO -0.09 0.78 0.00 0.35 -0.95 0.00 0.00 178.83 178.92 2r1k h PHE 149 N 0.43 0.03 -0.64 2.96 3.57 -0.50 -0.71 116.94 122.08 2r1k h PHE 149 Ca 0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2r1k h PHE 149 Cb 0.81 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2r1k h PHE 149 CO 0.03 0.31 0.39 0.74 -2.23 0.00 0.00 178.31 177.55 2r1k h PHE 150 N -0.26 0.84 -0.79 0.41 0.04 -0.78 -2.56 116.94 113.83 2r1k h PHE 150 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2r1k h PHE 150 Cb 0.30 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 2r1k h PHE 150 CO 0.03 0.56 0.48 -0.07 -0.60 0.00 0.00 178.31 178.71 2r1k h LEU 151 N 0.87 0.95 0.03 1.54 3.38 -1.06 -2.31 115.31 118.71 2r1k h LEU 151 Ca 0.23 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2r1k h LEU 151 Cb -0.04 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2r1k h LEU 151 CO -0.04 0.73 -0.33 -0.09 0.09 0.00 0.00 178.44 178.80 2r1k h ARG 152 N 1.08 -0.48 -0.28 1.13 2.43 -0.86 0.57 114.38 117.97 2r1k h ARG 152 Ca 0.28 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2r1k h ARG 152 Cb -0.04 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2r1k h ARG 152 CO -0.05 -0.32 0.19 0.93 -1.51 0.00 0.00 179.97 179.20 2r1k h GLU 153 N -0.50 0.29 0.08 0.20 5.08 -1.25 0.12 114.58 118.59 2r1k h GLU 153 Ca 0.05 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2r1k h GLU 153 Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2r1k h GLU 153 CO -0.25 0.19 -0.78 0.82 -1.00 0.00 0.00 179.01 177.99 2r1k h ILE 154 N 0.30 1.41 0.00 3.13 2.04 -1.14 -0.28 117.51 122.97 2r1k h ILE 154 Ca 0.11 -2.41 -0.35 0.00 1.00 0.00 0.00 64.86 63.21 2r1k h ILE 154 Cb 0.09 3.03 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 2r1k h ILE 154 CO -0.02 0.64 -2.24 0.00 0.00 0.00 0.00 178.15 176.52 2r1k n GLN 155 N -4.25 0.68 -0.12 2.37 6.02 0.20 -4.39 117.38 117.88 2r1k n GLN 155 Ca -0.18 0.06 -0.26 0.00 -0.01 0.00 0.00 57.00 56.62 2r1k n GLN 155 Cb 0.73 -1.58 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 2r1k n GLN 155 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2r1k n HIS 156 N -2.83 0.00 0.00 1.08 -0.00 0.20 -5.04 115.22 108.63 2r1k n HIS 156 Ca -0.30 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.88 2r1k n HIS 156 Cb 1.13 -0.88 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 2r1k n HIS 156 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2r1k n GLY 157 N 1.41 4.30 3.73 1.57 0.00 0.04 -4.59 105.19 111.65 2r1k n GLY 157 Ca -0.47 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2r1k n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r1k s ILE 158 N -2.00 5.11 0.00 -0.61 1.01 0.31 -4.10 121.20 120.91 2r1k s ILE 158 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.79 2r1k s ILE 158 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2r1k s ILE 158 CO 0.00 0.32 0.00 -0.62 0.00 0.00 0.00 174.94 174.64 2r1k n GLU 159 N 3.56 0.00 -0.69 2.79 1.02 -1.26 -1.38 120.64 124.68 2r1k n GLU 159 Ca -0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 2r1k n GLU 159 Cb 0.51 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.28 2r1k n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2r1k n ASP 160 N 4.42 4.92 0.07 1.62 5.75 -1.26 -4.71 116.55 127.35 2r1k n ASP 160 Ca 0.00 -2.93 0.12 0.00 -0.01 0.00 0.00 54.79 51.97 2r1k n ASP 160 Cb 0.00 -0.62 0.07 0.00 -1.03 0.00 0.00 41.12 39.54 2r1k n ASP 160 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2r1k n THR 161 N 0.19 0.41 -0.51 2.12 -2.24 -0.48 -4.96 114.28 108.83 2r1k n THR 161 Ca 0.25 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2r1k n THR 161 Cb 1.05 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2r1k n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r1k n GLY 162 N 1.28 0.76 3.68 3.38 0.00 -1.26 -4.96 105.19 108.08 2r1k n GLY 162 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2r1k n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r1k s ILE 163 N -2.26 4.51 -0.11 -0.61 1.01 -1.26 -4.69 121.20 117.78 2r1k s ILE 163 Ca 0.00 1.81 -0.10 0.00 0.00 0.00 0.00 60.65 62.36 2r1k s ILE 163 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2r1k s ILE 163 CO 0.00 -0.03 0.21 -0.13 0.00 0.00 0.00 174.94 174.98 2r1k s ARG 164 N 2.37 3.72 0.47 2.79 0.52 -1.26 -0.53 118.95 127.03 2r1k s ARG 164 Ca 0.51 -0.02 -0.23 0.00 -0.52 0.00 0.00 55.73 55.48 2r1k s ARG 164 Cb -0.21 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 31.94 2r1k s ARG 164 CO 0.18 0.64 1.23 0.00 0.02 0.00 0.00 175.30 177.37 2r1k s ALA 165 N -0.69 2.97 -0.29 2.13 0.00 -0.12 -4.61 121.76 121.15 2r1k s ALA 165 Ca 0.16 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.22 2r1k s ALA 165 Cb -0.13 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.64 2r1k s ALA 165 CO 0.05 -0.85 1.05 0.41 0.00 0.00 0.00 175.76 176.42 2r1k n GLY 166 N 0.55 2.72 3.53 0.00 0.00 0.02 -4.60 105.19 107.41 2r1k n GLY 166 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 2r1k n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2r1k s ILE 167 N -0.96 0.00 0.40 -0.61 2.07 -1.19 -4.41 121.20 116.51 2r1k s ILE 167 Ca 0.07 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.33 2r1k s ILE 167 Cb 0.04 -0.96 0.05 0.00 0.13 0.00 0.00 42.46 41.71 2r1k s ILE 167 CO 0.05 -0.02 0.40 -0.38 -1.91 0.00 0.00 174.94 173.08 2r1k n ILE 168 N 1.53 0.00 0.00 2.00 5.41 -0.59 -0.83 119.36 126.88 2r1k n ILE 168 Ca -0.17 -1.51 0.00 0.00 1.00 0.00 0.00 62.75 62.07 2r1k n ILE 168 Cb 0.56 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 2r1k n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2r1k n VAL 170 N -1.60 0.00 -3.78 1.39 0.24 -0.36 -0.85 118.33 113.37 2r1k n VAL 170 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2r1k n VAL 170 Cb 0.44 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.72 2r1k n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r1k s ALA 171 N -2.00 -0.71 0.11 2.33 0.00 -1.23 -0.78 121.76 119.49 2r1k s ALA 171 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2r1k s ALA 171 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2r1k s ALA 171 CO 0.00 -0.22 -0.08 0.95 0.00 0.00 0.00 175.76 176.42 2r1k s THR 172 N -0.85 0.84 -0.49 0.00 -4.23 -1.03 -4.83 115.64 105.05 2r1k s THR 172 Ca -0.09 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2r1k s THR 172 Cb -0.05 -1.68 0.17 0.00 1.34 0.00 0.00 72.50 72.29 2r1k s THR 172 CO 0.03 -0.80 0.38 0.35 -0.54 0.00 0.00 174.62 174.03 2r1k n THR 173 N -0.00 -0.47 -0.44 3.99 -2.24 -1.26 -3.49 114.28 110.36 2r1k n THR 173 Ca -0.12 -3.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.86 2r1k n THR 173 Cb 0.60 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2r1k n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r1k n GLY 174 N 2.60 -1.80 3.77 3.38 0.00 -1.26 -4.92 105.19 106.96 2r1k n GLY 174 Ca 0.27 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 2r1k n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2r1k s LYS 175 N 0.00 3.98 0.17 1.61 2.20 -1.26 -4.85 119.74 121.59 2r1k s LYS 175 Ca 0.00 2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 57.69 2r1k s LYS 175 Cb 0.00 -2.84 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 2r1k s LYS 175 CO 0.00 -0.57 1.52 0.00 -0.36 0.00 0.00 175.35 175.94 2r1k s ALA 176 N -1.18 3.73 1.05 3.13 0.00 -1.26 -5.01 121.76 122.22 2r1k s ALA 176 Ca 0.56 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 2r1k s ALA 176 Cb -0.43 -3.60 0.22 0.00 0.00 0.00 0.00 23.12 19.31 2r1k s ALA 176 CO 0.57 -0.75 1.08 0.95 0.00 0.00 0.00 175.76 177.61 2r1k s THR 177 N 0.95 2.06 0.21 0.00 -4.23 -1.26 -4.78 115.64 108.59 2r1k s THR 177 Ca 0.67 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.12 2r1k s THR 177 Cb -0.42 -2.07 0.15 0.00 1.34 0.00 0.00 72.50 71.50 2r1k s THR 177 CO 0.33 -0.03 1.77 -0.65 -0.54 0.00 0.00 174.62 175.51 2r1k h PRO 178 N -2.30 0.52 -0.38 3.99 0.11 -2.01 -2.24 132.00 129.69 2r1k h PRO 178 Ca -0.54 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 2r1k h PRO 178 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2r1k h PRO 178 CO 0.47 0.35 0.20 0.35 -0.21 0.00 0.00 178.00 179.15 2r1k h PHE 179 N 0.54 0.53 -0.96 0.65 3.57 -1.93 -2.89 116.94 116.45 2r1k h PHE 179 Ca 0.32 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.99 2r1k h PHE 179 Cb 0.32 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 2r1k h PHE 179 CO -0.12 0.43 0.61 1.96 -2.23 0.00 0.00 178.31 178.96 2r1k h GLN 180 N 0.48 0.57 -0.68 1.11 4.20 -1.82 -1.43 115.11 117.53 2r1k h GLN 180 Ca 0.13 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.88 2r1k h GLN 180 Cb 0.09 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 2r1k h GLN 180 CO -0.02 0.38 0.37 0.93 -0.67 0.00 0.00 178.83 179.81 2r1k h GLU 181 N 0.59 0.64 -0.41 1.46 5.08 -1.20 -1.16 114.58 119.58 2r1k h GLU 181 Ca 0.53 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 2r1k h GLU 181 Cb 1.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2r1k h GLU 181 CO -0.27 0.42 0.21 -0.07 -1.00 0.00 0.00 179.01 178.30 2r1k h LEU 182 N 0.66 0.53 -0.63 1.33 3.38 -1.22 -1.80 115.31 117.55 2r1k h LEU 182 Ca 0.32 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.25 2r1k h LEU 182 Cb 0.25 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2r1k h LEU 182 CO -0.21 0.49 0.30 0.58 0.09 0.00 0.00 178.44 179.69 2r1k h VAL 183 N 0.53 0.86 -0.34 1.22 2.07 -0.86 0.21 116.25 119.95 2r1k h VAL 183 Ca 0.14 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 2r1k h VAL 183 Cb 0.10 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2r1k h VAL 183 CO -0.02 0.10 -0.38 -0.07 0.02 0.00 0.00 177.57 177.22 2r1k h LEU 184 N 0.53 0.84 -0.39 2.57 4.07 -1.01 0.18 115.31 122.10 2r1k h LEU 184 Ca 0.30 -0.37 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 2r1k h LEU 184 Cb 0.30 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2r1k h LEU 184 CO -0.24 1.12 -0.01 0.11 -1.08 0.00 0.00 178.44 178.34 2r1k h LYS 185 N 0.65 0.69 -0.70 1.13 1.57 -1.11 -1.73 116.57 117.08 2r1k h LYS 185 Ca 0.06 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2r1k h LYS 185 Cb 0.93 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2r1k h LYS 185 CO 0.09 0.79 0.21 0.00 -0.57 0.00 0.00 179.45 179.96 2r1k h ALA 186 N 0.88 1.05 -0.70 3.86 0.00 -0.24 -1.20 119.26 122.90 2r1k h ALA 186 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2r1k h ALA 186 Cb 0.48 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2r1k h ALA 186 CO 0.02 0.64 0.47 0.00 0.00 0.00 0.00 179.25 180.38 2r1k h ALA 187 N 1.19 0.90 -0.74 0.00 0.00 -0.54 -0.86 119.26 119.20 2r1k h ALA 187 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2r1k h ALA 187 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2r1k h ALA 187 CO -0.01 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.88 2r1k h ALA 188 N 1.26 0.96 -0.28 0.00 0.00 -0.83 -1.19 119.26 119.18 2r1k h ALA 188 Ca 0.26 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2r1k h ALA 188 Cb -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2r1k h ALA 188 CO -0.06 0.56 -0.25 0.00 0.00 0.00 0.00 179.25 179.50 2r1k h ARG 189 N 1.06 0.66 -0.64 0.00 3.08 -0.95 -0.57 114.38 117.02 2r1k h ARG 189 Ca 0.25 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2r1k h ARG 189 Cb 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2r1k h ARG 189 CO -0.03 0.95 0.33 0.00 -1.07 0.00 0.00 179.97 180.15 2r1k h ALA 190 N 0.71 0.82 -0.65 0.04 0.00 -1.07 -2.26 119.26 116.86 2r1k h ALA 190 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2r1k h ALA 190 Cb 0.81 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2r1k h ALA 190 CO 0.06 0.36 0.40 1.03 0.00 0.00 0.00 179.25 181.10 2r1k h SER 191 N 0.88 0.65 -0.54 0.00 0.87 -1.06 -1.92 113.55 112.43 2r1k h SER 191 Ca 0.22 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2r1k h SER 191 Cb 0.08 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2r1k h SER 191 CO -0.03 0.45 0.12 -0.07 -0.53 0.00 0.00 176.83 176.77 2r1k h LEU 192 N 0.78 0.86 -0.95 2.23 3.38 -0.99 0.48 115.31 121.09 2r1k h LEU 192 Ca 0.26 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2r1k h LEU 192 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2r1k h LEU 192 CO -0.11 0.85 -0.39 0.00 0.09 0.00 0.00 178.44 178.89 2r1k h ALA 193 N 1.25 1.12 0.00 1.53 0.00 -1.31 -3.37 119.26 118.48 2r1k h ALA 193 Ca 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2r1k h ALA 193 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2r1k h ALA 193 CO 0.00 0.58 -1.41 0.25 0.00 0.00 0.00 179.25 178.67 2r1k n THR 194 N -4.04 0.07 -0.71 0.00 -2.24 -0.73 -5.02 114.28 101.60 2r1k n THR 194 Ca -0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2r1k n THR 194 Cb 0.46 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2r1k n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r1k n GLY 195 N 2.07 1.58 3.75 3.38 0.00 0.17 -4.66 105.19 111.48 2r1k n GLY 195 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2r1k n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1k s VAL 196 N -3.71 3.48 0.76 1.61 1.01 -1.25 -1.42 120.40 120.88 2r1k s VAL 196 Ca 0.00 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 2r1k s VAL 196 Cb 0.00 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2r1k s VAL 196 CO 0.00 0.31 1.14 -2.16 0.00 0.00 0.00 175.10 174.39 2r1k s PRO 197 N -1.14 2.38 -0.07 2.72 0.04 -1.26 -4.51 135.00 133.16 2r1k s PRO 197 Ca 0.47 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2r1k s PRO 197 Cb -0.32 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2r1k s PRO 197 CO 0.40 -1.34 -0.13 0.08 0.04 0.00 0.00 177.00 176.06 2r1k s VAL 198 N -3.47 3.18 0.04 -0.36 1.01 0.13 -1.54 120.40 119.40 2r1k s VAL 198 Ca 0.60 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2r1k s VAL 198 Cb -0.11 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2r1k s VAL 198 CO 0.50 0.58 -0.14 0.28 0.00 0.00 0.00 175.10 176.33 2r1k s THR 199 N -0.56 1.09 0.05 3.92 -1.32 -0.03 -0.96 115.64 117.84 2r1k s THR 199 Ca 0.08 -1.04 0.06 0.00 -1.21 0.00 0.00 61.69 59.59 2r1k s THR 199 Cb -0.12 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 2r1k s THR 199 CO 0.01 -0.03 -0.18 0.42 -2.21 0.00 0.00 174.62 172.63 2r1k s THR 200 N -0.91 1.46 0.02 5.08 -4.23 -0.44 -1.22 115.64 115.40 2r1k s THR 200 Ca 0.01 -1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 59.10 2r1k s THR 200 Cb -0.08 -1.30 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 2r1k s THR 200 CO 0.01 0.09 0.72 -2.28 -0.54 0.00 0.00 174.62 172.63 2r1k s HIS 201 N -0.88 3.70 0.28 3.99 2.46 0.04 -1.51 115.29 123.37 2r1k s HIS 201 Ca 0.05 1.39 0.08 0.00 0.47 0.00 0.00 55.06 57.04 2r1k s HIS 201 Cb -0.09 -2.78 -0.06 0.00 -0.13 0.00 0.00 32.58 29.53 2r1k s HIS 201 CO 0.02 0.25 -0.09 0.95 -2.47 0.00 0.00 174.74 173.40 2r1k s THR 202 N 0.07 1.82 -0.80 0.89 -4.23 -1.23 -2.45 115.64 109.71 2r1k s THR 202 Ca 0.37 -2.18 -0.20 0.00 -1.18 0.00 0.00 61.69 58.51 2r1k s THR 202 Cb -0.20 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.36 2r1k s THR 202 CO 0.21 -0.34 1.01 -0.55 -0.54 0.00 0.00 174.62 174.41 2r1k s SER 203 N -3.45 6.44 0.27 3.99 0.15 -1.23 -4.84 113.70 115.03 2r1k s SER 203 Ca 0.29 -1.68 -0.03 0.00 0.70 0.00 0.00 55.95 55.23 2r1k s SER 203 Cb 0.02 -2.39 0.38 0.00 -1.71 0.00 0.00 66.02 62.33 2r1k s SER 203 CO 0.12 -1.17 1.91 0.00 1.20 0.00 0.00 173.24 175.30 2r1k h ALA 204 N 9.06 1.38 0.00 5.45 0.00 -1.89 -1.46 119.26 131.80 2r1k h ALA 204 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2r1k h ALA 204 Cb 1.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2r1k h ALA 204 CO 1.12 0.50 -0.00 0.66 0.00 0.00 0.00 179.25 181.53 2r1k h SER 205 N 1.21 0.00 -0.58 0.00 4.64 -1.92 -0.91 113.55 115.99 2r1k h SER 205 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2r1k h SER 205 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2r1k h SER 205 CO -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 2r1k n GLN 206 N -3.28 2.64 -3.09 4.77 6.02 -0.56 -4.96 117.38 118.91 2r1k n GLN 206 Ca -0.03 -2.46 -0.23 0.00 -0.01 0.00 0.00 57.00 54.27 2r1k n GLN 206 Cb 0.08 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 29.86 2r1k n GLN 206 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2r1k n ARG 207 N 1.46 -4.76 -0.34 -1.09 1.74 -0.35 -4.87 116.66 108.45 2r1k n ARG 207 Ca 0.21 0.84 0.19 0.00 -0.77 0.00 0.00 57.85 58.33 2r1k n ARG 207 Cb 0.59 -5.69 0.43 0.00 -1.02 0.00 0.00 32.46 26.77 2r1k n ARG 207 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2r1k h ASP 208 N -1.36 0.59 -1.03 0.55 5.19 -1.81 -2.68 116.42 115.86 2r1k h ASP 208 Ca -0.52 0.11 0.27 0.00 -0.62 0.00 0.00 57.03 56.27 2r1k h ASP 208 Cb 1.36 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.80 2r1k h ASP 208 CO 0.57 0.11 0.69 1.23 -3.12 0.00 0.00 179.24 178.71 2r1k h GLY 209 N 0.52 0.92 0.97 2.75 0.00 -1.89 -1.87 103.07 104.46 2r1k h GLY 209 Ca 0.62 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.74 2r1k h GLY 209 CO -0.39 -0.09 0.09 0.83 0.00 0.00 0.00 176.54 176.98 2r1k h GLU 210 N 0.31 0.79 -0.47 4.80 5.08 -1.87 -0.15 114.58 123.08 2r1k h GLU 210 Ca 0.56 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.58 2r1k h GLU 210 Cb 1.59 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2r1k h GLU 210 CO -0.22 0.78 -0.24 0.37 -1.00 0.00 0.00 179.01 178.70 2r1k h GLN 211 N 0.66 1.00 -0.26 2.33 4.15 -1.66 -1.90 115.11 119.42 2r1k h GLN 211 Ca 0.15 -0.44 0.05 0.00 0.77 0.00 0.00 58.65 59.18 2r1k h GLN 211 Cb 0.37 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 2r1k h GLN 211 CO 0.01 1.12 -0.07 1.96 -1.93 0.00 0.00 178.83 179.92 2r1k h GLN 212 N 0.85 -0.00 -0.64 1.69 4.20 -1.27 -1.53 115.11 118.40 2r1k h GLN 212 Ca 0.10 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.87 2r1k h GLN 212 Cb 0.83 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 2r1k h GLN 212 CO 0.07 -0.00 0.35 0.00 -0.67 0.00 0.00 178.83 178.59 2r1k h ALA 213 N 1.26 0.85 -0.32 3.87 0.00 -0.94 -0.27 119.26 123.72 2r1k h ALA 213 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2r1k h ALA 213 Cb 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2r1k h ALA 213 CO -0.27 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.16 2r1k h ALA 214 N 1.33 0.39 -0.40 0.00 0.00 -0.73 0.69 119.26 120.55 2r1k h ALA 214 Ca 0.29 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2r1k h ALA 214 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2r1k h ALA 214 CO -0.18 -0.23 0.04 0.82 0.00 0.00 0.00 179.25 179.70 2r1k h ILE 215 N 0.31 1.25 -0.57 0.00 2.04 -1.04 -0.48 117.51 119.02 2r1k h ILE 215 Ca 0.14 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2r1k h ILE 215 Cb 0.06 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2r1k h ILE 215 CO -0.11 0.32 0.37 -0.26 0.00 0.00 0.00 178.15 178.47 2r1k h PHE 216 N 0.53 0.74 -0.20 1.37 0.04 -0.78 -3.01 116.94 115.63 2r1k h PHE 216 Ca 0.12 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.77 2r1k h PHE 216 Cb 0.42 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2r1k h PHE 216 CO 0.03 0.48 -0.43 0.93 -0.60 0.00 0.00 178.31 178.72 2r1k h GLU 217 N 0.78 0.48 0.00 1.51 5.08 -0.75 -2.31 114.58 119.37 2r1k h GLU 217 Ca 0.21 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2r1k h GLU 217 Cb -0.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2r1k h GLU 217 CO -0.04 0.83 0.21 0.66 -1.00 0.00 0.00 179.01 179.67 2r1k h SER 218 N 0.40 0.00 -0.02 1.42 4.64 -0.95 0.55 113.55 119.59 2r1k h SER 218 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2r1k h SER 218 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2r1k h SER 218 CO 0.08 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.39 2r1k n GLU 219 N -2.88 2.04 -1.18 4.77 -0.58 -0.91 -4.96 120.64 116.95 2r1k n GLU 219 Ca -0.02 -1.56 -0.06 0.00 -0.42 0.00 0.00 57.16 55.10 2r1k n GLU 219 Cb 0.26 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 2r1k n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r1k n GLY 220 N 1.30 0.85 3.71 0.62 0.00 0.19 -4.94 105.19 106.91 2r1k n GLY 220 Ca 0.15 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2r1k n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r1k s LEU 221 N -1.38 4.37 0.13 0.99 2.96 -0.97 -5.01 118.68 119.77 2r1k s LEU 221 Ca 0.00 1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 55.48 2r1k s LEU 221 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 2r1k s LEU 221 CO 0.00 -0.39 1.48 -0.55 -1.32 0.00 0.00 176.35 175.57 2r1k s SER 222 N 1.02 6.71 0.56 3.68 0.15 -1.26 -4.45 113.70 120.12 2r1k s SER 222 Ca 0.56 2.46 0.28 0.00 0.70 0.00 0.00 55.95 59.95 2r1k s SER 222 Cb -0.26 -2.59 1.48 0.00 -1.71 0.00 0.00 66.02 62.94 2r1k s SER 222 CO 0.29 -0.74 1.95 -0.65 1.20 0.00 0.00 173.24 175.29 2r1k h PRO 223 N 6.85 0.00 0.00 5.44 0.11 -1.85 0.15 132.00 142.70 2r1k h PRO 223 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2r1k h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2r1k h PRO 223 CO 0.89 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 2r1k n SER 224 N -4.00 0.00 -0.58 -2.05 3.41 -1.18 -1.63 113.62 107.59 2r1k n SER 224 Ca 0.09 0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 2r1k n SER 224 Cb 0.64 -0.29 0.38 0.00 -0.26 0.00 0.00 64.21 64.68 2r1k n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2r1k n ARG 225 N -1.29 1.74 -4.74 4.33 5.12 0.54 -4.86 116.66 117.49 2r1k n ARG 225 Ca 0.09 -1.17 -0.30 0.00 -1.93 0.00 0.00 57.85 54.53 2r1k n ARG 225 Cb 0.15 -1.48 -0.17 0.00 -1.16 0.00 0.00 32.46 29.81 2r1k n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2r1k s VAL 226 N -2.07 1.79 -0.21 1.55 1.01 -0.65 0.20 120.40 122.02 2r1k s VAL 226 Ca 0.33 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2r1k s VAL 226 Cb 0.20 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2r1k s VAL 226 CO 0.35 0.50 0.02 0.00 0.00 0.00 0.00 175.10 175.98 2r1k s ILE 228 N 1.07 4.50 0.66 0.00 1.01 0.03 -1.32 121.20 127.15 2r1k s ILE 228 Ca 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.84 2r1k s ILE 228 Cb -0.14 -4.47 0.09 0.00 0.01 0.00 0.00 42.46 37.95 2r1k s ILE 228 CO 0.02 -1.01 0.92 -0.83 0.00 0.00 0.00 174.94 174.04 2r1k s GLY 229 N 2.73 1.78 -1.28 6.18 0.00 -0.57 -1.56 107.32 114.60 2r1k s GLY 229 Ca 0.28 -1.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.35 2r1k s GLY 229 CO 0.18 -1.09 0.48 1.42 0.00 0.00 0.00 173.10 174.09 2r1k n HIS 230 N -2.68 -1.78 0.48 1.90 8.25 -1.20 -3.51 115.22 116.70 2r1k n HIS 230 Ca 0.12 0.46 0.13 0.00 -0.26 0.00 0.00 57.72 58.17 2r1k n HIS 230 Cb 0.60 -2.94 0.37 0.00 1.12 0.00 0.00 29.99 29.15 2r1k n HIS 230 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2r1k h SER 231 N -0.95 0.00 -0.02 0.41 0.02 -1.24 -2.24 113.55 109.53 2r1k h SER 231 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2r1k h SER 231 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2r1k h SER 231 CO 0.53 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.32 2r1k n ASP 232 N -2.51 0.30 -0.00 3.07 5.75 -1.24 -3.19 116.55 118.72 2r1k n ASP 232 Ca 0.04 -1.41 0.15 0.00 -0.01 0.00 0.00 54.79 53.57 2r1k n ASP 232 Cb 0.42 -0.02 0.81 0.00 -1.03 0.00 0.00 41.12 41.31 2r1k n ASP 232 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2r1k n ASP 233 N -0.62 0.00 -4.27 -1.12 8.00 -0.84 -4.78 116.55 112.92 2r1k n ASP 233 Ca 0.16 -0.37 -0.23 0.00 0.71 0.00 0.00 54.79 55.06 2r1k n ASP 233 Cb 0.12 -0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 2r1k n ASP 233 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2r1k s THR 234 N -2.42 1.62 -1.47 -3.53 -1.32 -1.19 -4.63 115.64 102.69 2r1k s THR 234 Ca 0.34 -1.55 0.20 0.00 -1.21 0.00 0.00 61.69 59.47 2r1k s THR 234 Cb 0.21 -1.51 0.69 0.00 -1.51 0.00 0.00 72.50 70.38 2r1k s THR 234 CO 0.44 -0.12 1.59 0.47 -2.21 0.00 0.00 174.62 174.78 2r1k n ASP 235 N 1.02 4.42 -4.56 8.08 8.00 -1.26 -4.89 116.55 127.35 2r1k n ASP 235 Ca -0.19 -2.26 -0.35 0.00 0.71 0.00 0.00 54.79 52.70 2r1k n ASP 235 Cb 0.54 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2r1k n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2r1k s ASP 236 N -0.96 5.71 0.31 -2.24 -1.08 -1.26 -4.81 116.67 112.35 2r1k s ASP 236 Ca 0.50 -0.67 0.26 0.00 -0.52 0.00 0.00 52.55 52.12 2r1k s ASP 236 Cb 0.30 -2.56 0.93 0.00 -1.46 0.00 0.00 42.92 40.13 2r1k s ASP 236 CO 0.28 -2.18 1.77 -0.07 0.52 0.00 0.00 175.17 175.49 2r1k h LEU 237 N 15.39 0.00 -0.09 -1.34 3.38 -1.98 -2.35 115.31 128.33 2r1k h LEU 237 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2r1k h LEU 237 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2r1k h LEU 237 CO 1.29 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 180.04 2r1k h SER 238 N 0.00 0.20 -0.37 -0.43 0.02 -1.99 -0.45 113.55 110.52 2r1k h SER 238 Ca 0.00 -0.44 0.05 0.00 -0.84 0.00 0.00 61.79 60.56 2r1k h SER 238 Cb 0.57 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2r1k h SER 238 CO 0.00 0.59 0.11 0.22 -1.14 0.00 0.00 176.83 176.61 2r1k h TYR 239 N -0.19 0.19 -0.10 3.45 3.20 -1.90 -2.54 116.97 119.07 2r1k h TYR 239 Ca 0.02 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2r1k h TYR 239 Cb 0.52 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2r1k h TYR 239 CO 0.07 0.06 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.42 2r1k h LEU 240 N 0.25 0.31 -0.97 2.82 3.38 -1.40 -2.50 115.31 117.20 2r1k h LEU 240 Ca 0.17 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 2r1k h LEU 240 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2r1k h LEU 240 CO -0.20 0.79 -0.50 0.71 0.09 0.00 0.00 178.44 179.34 2r1k h THR 241 N -0.16 1.29 -0.26 0.22 1.35 -1.18 -1.87 112.91 112.30 2r1k h THR 241 Ca 0.01 -1.73 0.02 0.00 -0.55 0.00 0.00 66.41 64.15 2r1k h THR 241 Cb 0.73 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 2r1k h THR 241 CO 0.04 0.49 0.12 1.23 -0.25 0.00 0.00 175.52 177.14 2r1k h GLY 242 N 1.62 0.34 1.00 5.82 0.00 -1.26 0.11 103.07 110.69 2r1k h GLY 242 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2r1k h GLY 242 CO 0.06 0.06 -0.15 1.41 0.00 0.00 0.00 176.54 177.92 2r1k h LEU 243 N 0.25 -0.36 -0.68 3.11 3.38 -1.37 -3.02 115.31 116.62 2r1k h LEU 243 Ca 0.11 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.22 2r1k h LEU 243 Cb 0.05 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2r1k h LEU 243 CO -0.09 -0.26 0.20 0.00 0.09 0.00 0.00 178.44 178.39 2r1k h ALA 244 N 0.28 0.88 -0.81 1.53 0.00 -1.27 -1.75 119.26 118.11 2r1k h ALA 244 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2r1k h ALA 244 Cb 0.33 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2r1k h ALA 244 CO 0.07 -0.28 0.53 0.00 0.00 0.00 0.00 179.25 179.57 2r1k h ALA 245 N 1.53 1.68 0.00 0.00 0.00 -0.82 -1.21 119.26 120.44 2r1k h ALA 245 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2r1k h ALA 245 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2r1k h ALA 245 CO -0.42 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.54 2r1k n ARG 246 N -4.50 0.38 0.00 0.00 1.74 -0.68 -4.92 116.66 108.68 2r1k n ARG 246 Ca 0.13 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2r1k n ARG 246 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2r1k n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r1k n GLY 247 N 0.60 0.50 3.76 -0.13 0.00 -0.46 -4.74 105.19 104.73 2r1k n GLY 247 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2r1k n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r1k s TYR 248 N -2.00 2.63 0.28 1.61 2.02 -1.08 -3.08 117.35 117.72 2r1k s TYR 248 Ca 0.00 1.50 -0.25 0.00 -0.37 0.00 0.00 57.07 57.95 2r1k s TYR 248 Cb 0.00 -3.48 -0.09 0.00 -0.40 0.00 0.00 41.96 37.98 2r1k s TYR 248 CO 0.00 -1.96 0.88 -0.51 -1.57 0.00 0.00 175.55 172.39 2r1k s LEU 249 N -3.42 4.40 -0.26 -1.29 2.01 -0.32 -4.23 118.68 115.57 2r1k s LEU 249 Ca 0.69 1.74 -0.01 0.00 0.01 0.00 0.00 54.13 56.56 2r1k s LEU 249 Cb -0.31 -3.81 0.04 0.00 0.01 0.00 0.00 46.19 42.12 2r1k s LEU 249 CO 0.36 0.01 -0.05 -0.69 1.01 0.00 0.00 176.35 176.99 2r1k s VAL 250 N -1.50 2.79 -0.37 -1.59 1.01 0.24 -0.79 120.40 120.18 2r1k s VAL 250 Ca 0.46 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2r1k s VAL 250 Cb -0.20 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2r1k s VAL 250 CO 0.24 0.09 0.74 -0.83 0.00 0.00 0.00 175.10 175.34 2r1k s GLY 251 N 1.27 1.68 -0.83 4.51 0.00 -0.60 -1.75 107.32 111.59 2r1k s GLY 251 Ca -0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 2r1k s GLY 251 CO -0.04 1.67 0.74 1.08 0.00 0.00 0.00 173.10 176.56 2r1k s LEU 252 N 2.99 6.14 -0.02 0.66 1.43 0.28 -1.00 118.68 129.16 2r1k s LEU 252 Ca 0.29 -3.04 0.02 0.00 -1.03 0.00 0.00 54.13 50.38 2r1k s LEU 252 Cb -0.14 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2r1k s LEU 252 CO 0.17 -0.42 0.83 -0.90 0.23 0.00 0.00 176.35 176.26 2r1k n ASP 253 N 3.40 1.04 -1.44 2.29 5.68 -1.26 -1.98 116.55 124.29 2r1k n ASP 253 Ca 0.15 -1.75 -0.02 0.00 -0.50 0.00 0.00 54.79 52.67 2r1k n ASP 253 Cb 0.42 -0.07 0.10 0.00 -1.14 0.00 0.00 41.12 40.43 2r1k n ASP 253 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2r1k n ARG 254 N -0.36 1.68 -0.24 0.11 1.74 -1.21 -1.05 116.66 117.32 2r1k n ARG 254 Ca 0.02 -3.21 -0.02 0.00 -0.77 0.00 0.00 57.85 53.86 2r1k n ARG 254 Cb 0.44 -1.37 -0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2r1k n ARG 254 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2r1k n MET 255 N -0.57 -0.18 -0.03 5.56 2.81 -1.14 -1.41 117.12 122.16 2r1k n MET 255 Ca 0.20 0.94 0.10 0.00 -1.81 0.00 0.00 57.70 57.12 2r1k n MET 255 Cb 0.88 -1.39 0.47 0.00 -0.71 0.00 0.00 33.22 32.47 2r1k n MET 255 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2r1k n PRO 256 N -4.86 1.30 -2.67 0.03 -0.04 -1.26 -4.41 135.00 123.08 2r1k n PRO 256 Ca 0.05 -0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 62.64 2r1k n PRO 256 Cb 0.22 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2r1k n PRO 256 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2r1k s TYR 257 N -1.91 2.51 -0.05 0.54 2.02 -0.50 -4.88 117.35 115.08 2r1k s TYR 257 Ca 0.29 -0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 56.90 2r1k s TYR 257 Cb 0.14 -4.45 0.04 0.00 -0.40 0.00 0.00 41.96 37.29 2r1k s TYR 257 CO 0.23 -1.78 0.09 0.45 -1.57 0.00 0.00 175.55 172.97 2r1k s SER 258 N 3.44 0.55 -0.10 2.29 0.15 -1.24 -4.70 113.70 114.09 2r1k s SER 258 Ca 0.33 0.16 0.03 0.00 0.70 0.00 0.00 55.95 57.17 2r1k s SER 258 Cb -0.11 0.03 0.22 0.00 -1.71 0.00 0.00 66.02 64.45 2r1k s SER 258 CO 0.16 -0.20 1.05 0.00 1.20 0.00 0.00 173.24 175.46 2r1k n ALA 259 N 4.82 3.14 -2.28 5.45 0.00 -0.56 -4.94 120.51 126.14 2r1k n ALA 259 Ca -0.14 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 2r1k n ALA 259 Cb 0.50 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2r1k n ALA 259 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2r1k s ILE 260 N -1.28 3.94 0.00 0.00 1.01 -1.26 -1.62 121.20 121.99 2r1k s ILE 260 Ca 0.17 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2r1k s ILE 260 Cb 0.13 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2r1k s ILE 260 CO 0.04 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2r1k n GLY 261 N 3.70 0.40 0.45 6.18 0.00 -1.26 -4.95 105.19 109.71 2r1k n GLY 261 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2r1k n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r1k n LEU 262 N 0.00 2.45 0.22 0.99 4.32 -0.64 -4.81 117.00 119.53 2r1k n LEU 262 Ca 0.00 -3.48 0.06 0.00 -0.02 0.00 0.00 56.01 52.58 2r1k n LEU 262 Cb 0.00 -0.46 0.57 0.00 -1.62 0.00 0.00 43.42 41.90 2r1k n LEU 262 CO 0.00 1.10 1.01 -0.33 -1.22 0.00 0.00 177.39 177.95 2r1k h GLU 263 N 0.63 0.05 0.00 3.23 3.07 -1.93 -1.86 114.58 117.77 2r1k h GLU 263 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2r1k h GLU 263 Cb 1.05 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2r1k h GLU 263 CO 0.00 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.13 2r1k n GLY 264 N -1.32 -0.98 2.97 -3.84 0.00 -1.26 -4.58 105.19 96.18 2r1k n GLY 264 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2r1k n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2r1k s ASP 265 N -1.14 4.51 0.39 1.61 2.15 -0.70 -4.99 116.67 118.50 2r1k s ASP 265 Ca 0.06 -2.56 0.08 0.00 0.43 0.00 0.00 52.55 50.56 2r1k s ASP 265 Cb 0.03 -1.60 0.80 0.00 -0.30 0.00 0.00 42.92 41.84 2r1k s ASP 265 CO 0.04 -0.31 1.96 0.00 -0.17 0.00 0.00 175.17 176.70 2r1k h ALA 266 N 7.08 1.56 0.13 3.66 0.00 -1.84 -1.70 119.26 128.14 2r1k h ALA 266 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2r1k h ALA 266 Cb 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2r1k h ALA 266 CO 0.60 0.32 -0.06 0.66 0.00 0.00 0.00 179.25 180.77 2r1k h SER 267 N 0.37 -0.14 -0.74 0.00 4.64 -1.95 -2.22 113.55 113.50 2r1k h SER 267 Ca 0.09 -0.35 0.15 0.00 -0.47 0.00 0.00 61.79 61.20 2r1k h SER 267 Cb 0.22 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 62.21 2r1k h SER 267 CO 0.00 0.31 -0.16 0.00 -0.87 0.00 0.00 176.83 176.11 2r1k h ALA 268 N 0.13 0.53 -0.88 5.18 0.00 -1.89 -2.75 119.26 119.58 2r1k h ALA 268 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2r1k h ALA 268 Cb 0.49 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2r1k h ALA 268 CO 0.03 -0.42 0.57 -0.07 0.00 0.00 0.00 179.25 179.37 2r1k h LEU 269 N 0.01 1.01 -1.10 0.00 3.38 -1.22 -0.87 115.31 116.52 2r1k h LEU 269 Ca 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2r1k h LEU 269 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2r1k h LEU 269 CO -0.75 0.74 0.00 0.00 0.09 0.00 0.00 178.44 178.52 2r1k h ALA 270 N 1.32 1.00 0.00 1.53 0.00 -1.09 -2.50 119.26 119.51 2r1k h ALA 270 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.87 2r1k h ALA 270 Cb -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2r1k h ALA 270 CO -0.07 0.00 -2.21 -0.11 0.00 0.00 0.00 179.25 176.86 2r1k n LEU 271 N -2.80 1.60 0.09 0.00 -0.00 -0.93 -4.58 117.00 110.39 2r1k n LEU 271 Ca 0.01 0.24 0.03 0.00 -0.00 0.00 0.00 56.01 56.30 2r1k n LEU 271 Cb 0.30 -0.64 -0.02 0.00 -0.00 0.00 0.00 43.42 43.06 2r1k n LEU 271 CO 0.25 0.47 0.10 -0.26 -0.00 0.00 0.00 177.39 177.95 2r1k h PHE 272 N -0.74 0.00 -0.29 1.96 0.04 -1.31 -3.50 116.94 113.09 2r1k h PHE 272 Ca -0.55 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.22 2r1k h PHE 272 Cb 1.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.64 2r1k h PHE 272 CO -0.07 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 2r1k n GLY 273 N 1.29 -1.89 0.06 -1.45 0.00 -0.94 -3.72 105.19 98.54 2r1k n GLY 273 Ca -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.68 2r1k n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r1k n THR 274 N -0.29 1.38 -3.92 2.61 -2.24 -1.26 -1.50 114.28 109.05 2r1k n THR 274 Ca 0.00 -1.57 -0.34 0.00 -2.27 0.00 0.00 64.05 59.87 2r1k n THR 274 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 2r1k n THR 274 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2r1k s ARG 275 N -1.89 3.40 0.66 -0.78 0.52 -1.26 -4.88 118.95 114.72 2r1k s ARG 275 Ca 0.17 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.96 2r1k s ARG 275 Cb 0.15 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 2r1k s ARG 275 CO 0.02 0.69 1.05 -1.54 0.02 0.00 0.00 175.30 175.54 2r1k s SER 276 N -1.78 5.77 0.40 0.23 1.04 -1.26 -4.45 113.70 113.65 2r1k s SER 276 Ca 0.25 1.20 0.09 0.00 0.48 0.00 0.00 55.95 57.97 2r1k s SER 276 Cb -0.12 -2.12 0.81 0.00 0.10 0.00 0.00 66.02 64.69 2r1k s SER 276 CO 0.16 -1.13 1.96 4.11 0.98 0.00 0.00 173.24 179.32 2r1k h TRP 277 N -0.47 0.32 -0.81 5.02 5.08 -1.84 -2.23 115.95 121.01 2r1k h TRP 277 Ca -0.45 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.47 2r1k h TRP 277 Cb 1.23 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 27.25 2r1k h TRP 277 CO 0.56 0.35 0.38 1.96 -1.28 0.00 0.00 178.44 180.41 2r1k h GLN 278 N 0.31 1.17 -0.73 0.12 7.50 -1.93 0.13 115.11 121.68 2r1k h GLN 278 Ca 0.07 -0.18 0.02 0.00 0.50 0.00 0.00 58.65 59.06 2r1k h GLN 278 Cb 0.25 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 2r1k h GLN 278 CO 0.01 0.92 0.47 1.15 -1.50 0.00 0.00 178.83 179.88 2r1k h THR 279 N 1.15 1.14 -0.41 -0.54 2.02 -1.80 0.50 112.91 114.97 2r1k h THR 279 Ca 0.28 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2r1k h THR 279 Cb 0.14 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2r1k h THR 279 CO -0.03 0.17 0.13 0.03 0.37 0.00 0.00 175.52 176.19 2r1k h ARG 280 N 0.94 0.64 -0.05 6.66 3.08 -0.89 -3.17 114.38 121.59 2r1k h ARG 280 Ca 0.28 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 2r1k h ARG 280 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2r1k h ARG 280 CO -0.09 0.63 -0.45 0.00 -1.07 0.00 0.00 179.97 179.00 2r1k h ALA 281 N 0.98 1.17 -0.32 0.04 0.00 -0.34 -1.90 119.26 118.89 2r1k h ALA 281 Ca 0.13 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2r1k h ALA 281 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2r1k h ALA 281 CO -0.00 0.59 0.26 -0.07 0.00 0.00 0.00 179.25 180.02 2r1k h LEU 282 N 0.09 0.00 -1.09 0.00 3.38 -0.88 -1.43 115.31 115.37 2r1k h LEU 282 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2r1k h LEU 282 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2r1k h LEU 282 CO 0.06 0.00 0.04 -0.07 0.09 0.00 0.00 178.44 178.56 2r1k h LEU 283 N 0.00 0.64 0.39 1.67 3.38 -1.38 0.10 115.31 120.10 2r1k h LEU 283 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2r1k h LEU 283 Cb 0.67 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2r1k h LEU 283 CO -0.00 0.68 -0.19 0.40 0.09 0.00 0.00 178.44 179.43 2r1k h ILE 284 N 0.65 0.62 -0.80 1.22 2.04 -1.36 -1.43 117.51 118.46 2r1k h ILE 284 Ca 0.14 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 65.95 2r1k h ILE 284 Cb 0.34 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 2r1k h ILE 284 CO 0.01 0.03 0.41 0.50 0.00 0.00 0.00 178.15 179.10 2r1k h LYS 285 N -0.62 0.61 -0.64 2.37 3.64 -1.46 -1.81 116.57 118.66 2r1k h LYS 285 Ca -0.05 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2r1k h LYS 285 Cb 0.45 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2r1k h LYS 285 CO 0.09 0.40 0.39 0.00 -2.27 0.00 0.00 179.45 178.07 2r1k h ALA 286 N 1.51 0.82 -0.47 5.00 0.00 -0.73 -0.47 119.26 124.90 2r1k h ALA 286 Ca 0.42 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 2r1k h ALA 286 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2r1k h ALA 286 CO -0.32 0.29 -0.17 -0.07 0.00 0.00 0.00 179.25 178.98 2r1k h LEU 287 N 0.87 0.97 -0.58 0.00 3.38 -1.10 -2.45 115.31 116.42 2r1k h LEU 287 Ca 0.23 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2r1k h LEU 287 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2r1k h LEU 287 CO -0.04 1.13 0.38 0.40 0.09 0.00 0.00 178.44 180.39 2r1k h ILE 288 N 0.80 1.15 0.00 1.22 2.04 -0.87 -0.13 117.51 121.73 2r1k h ILE 288 Ca 0.11 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2r1k h ILE 288 Cb 0.74 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2r1k h ILE 288 CO 0.06 0.15 0.00 0.44 0.00 0.00 0.00 178.15 178.80 2r1k h ASP 289 N 0.78 0.00 -0.75 1.72 3.32 -1.00 -1.21 116.42 119.28 2r1k h ASP 289 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2r1k h ASP 289 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2r1k h ASP 289 CO -0.04 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 2r1k n ARG 290 N -3.09 2.74 -0.27 3.56 1.74 -0.92 -4.94 116.66 115.48 2r1k n ARG 290 Ca -0.01 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 2r1k n ARG 290 Cb 0.20 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2r1k n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r1k n GLY 291 N 1.68 0.86 1.03 -0.13 0.00 -0.46 -4.99 105.19 103.19 2r1k n GLY 291 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.19 2r1k n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1k n TYR 292 N -2.27 1.07 -0.30 1.61 4.01 -0.11 -4.72 117.16 116.46 2r1k n TYR 292 Ca 0.00 -1.20 0.16 0.00 -0.16 0.00 0.00 57.90 56.70 2r1k n TYR 292 Cb 0.00 -0.41 0.42 0.00 -0.31 0.00 0.00 39.34 39.04 2r1k n TYR 292 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 2r1k h LYS 293 N 1.41 0.57 0.00 -0.72 2.10 -1.80 -0.10 116.57 118.04 2r1k h LYS 293 Ca 0.11 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2r1k h LYS 293 Cb 1.58 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 2r1k h LYS 293 CO 0.32 0.38 0.00 -0.25 -2.00 0.00 0.00 179.45 177.90 2r1k n ASP 294 N -4.61 0.00 -1.38 7.07 8.00 -1.26 -3.68 116.55 120.69 2r1k n ASP 294 Ca 0.21 0.33 0.09 0.00 0.71 0.00 0.00 54.79 56.12 2r1k n ASP 294 Cb 0.63 -0.43 0.32 0.00 -0.02 0.00 0.00 41.12 41.61 2r1k n ASP 294 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2r1k n ARG 295 N -1.43 3.53 -4.64 -1.24 5.12 -0.05 -4.93 116.66 113.02 2r1k n ARG 295 Ca 0.08 -2.78 -0.33 0.00 -1.93 0.00 0.00 57.85 52.88 2r1k n ARG 295 Cb 0.25 -1.81 -0.11 0.00 -1.16 0.00 0.00 32.46 29.63 2r1k n ARG 295 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2r1k s ILE 296 N -1.86 3.60 0.00 0.55 1.01 -1.24 -0.60 121.20 122.67 2r1k s ILE 296 Ca 0.46 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.61 2r1k s ILE 296 Cb 0.30 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2r1k s ILE 296 CO 0.22 0.57 -0.16 -0.76 0.00 0.00 0.00 174.94 174.80 2r1k s LEU 297 N -0.88 2.06 -0.00 2.97 1.43 -0.72 -4.85 118.68 118.69 2r1k s LEU 297 Ca 0.13 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2r1k s LEU 297 Cb -0.11 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2r1k s LEU 297 CO 0.02 0.18 -0.26 -0.69 0.23 0.00 0.00 176.35 175.83 2r1k s VAL 298 N -0.49 2.11 0.11 -1.59 1.01 -1.26 -0.55 120.40 119.74 2r1k s VAL 298 Ca 0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 2r1k s VAL 298 Cb -0.07 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2r1k s VAL 298 CO -0.00 0.51 0.27 -0.24 0.00 0.00 0.00 175.10 175.64 2r1k n SER 299 N 2.23 -0.69 -0.04 3.32 2.88 -0.84 -3.99 113.62 116.49 2r1k n SER 299 Ca -0.16 -1.45 -0.04 0.00 -1.33 0.00 0.00 58.87 55.89 2r1k n SER 299 Cb 0.51 1.14 -0.06 0.00 -0.75 0.00 0.00 64.21 65.05 2r1k n SER 299 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2r1k n HIS 300 N -0.19 0.00 -3.67 0.66 8.25 -1.07 -2.90 115.22 116.30 2r1k n HIS 300 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 2r1k n HIS 300 Cb 0.19 -0.39 0.06 0.00 1.12 0.00 0.00 29.99 30.97 2r1k n HIS 300 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2r1k n ASP 301 N -2.30 -5.20 -4.93 0.41 2.03 -0.22 -4.31 116.55 102.03 2r1k n ASP 301 Ca -0.13 -0.63 -0.25 0.00 0.52 0.00 0.00 54.79 54.30 2r1k n ASP 301 Cb 0.76 -4.70 0.05 0.00 -0.72 0.00 0.00 41.12 36.51 2r1k n ASP 301 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2r1k s TRP 302 N -3.34 2.99 0.25 -0.67 -0.11 -1.26 -4.85 118.94 111.95 2r1k s TRP 302 Ca 0.51 0.41 -0.16 0.00 1.22 0.00 0.00 56.10 58.08 2r1k s TRP 302 Cb -0.23 -3.00 0.01 0.00 -1.50 0.00 0.00 33.47 28.74 2r1k s TRP 302 CO 0.76 -1.17 0.55 -0.48 -4.62 0.00 0.00 176.95 172.00 2r1k s LEU 303 N -5.10 0.13 -0.00 5.86 0.05 -1.25 -1.35 118.68 117.02 2r1k s LEU 303 Ca 0.58 -0.79 0.08 0.00 0.05 0.00 0.00 54.13 54.05 2r1k s LEU 303 Cb -0.11 2.09 -0.10 0.00 -2.05 0.00 0.00 46.19 46.03 2r1k s LEU 303 CO 0.44 -1.19 0.28 0.49 -0.55 0.00 0.00 176.35 175.82 2r1k n PHE 304 N -0.40 0.00 -3.97 3.48 3.72 -0.19 -4.99 117.46 115.12 2r1k n PHE 304 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 2r1k n PHE 304 Cb 0.61 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 2r1k n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2r1k s GLY 305 N -2.13 0.36 -0.45 1.37 0.00 -1.09 -4.90 107.32 100.47 2r1k s GLY 305 Ca 0.01 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.88 2r1k s GLY 305 CO 0.33 -1.01 0.59 -0.12 0.00 0.00 0.00 173.10 172.89 2r1k s PHE 306 N -3.92 -1.00 -0.32 1.90 2.19 -1.25 -0.62 117.98 114.96 2r1k s PHE 306 Ca 0.10 -0.71 0.23 0.00 0.33 0.00 0.00 56.93 56.88 2r1k s PHE 306 Cb 0.06 0.00 0.08 0.00 -1.31 0.00 0.00 43.02 41.85 2r1k s PHE 306 CO -0.07 -1.14 1.13 0.66 1.83 0.00 0.00 175.22 177.63 2r1k h SER 307 N 5.89 0.00 0.00 6.13 4.64 -0.65 -3.37 113.55 126.19 2r1k h SER 307 Ca 0.09 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2r1k h SER 307 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2r1k h SER 307 CO 0.12 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 2r1k n SER 308 N -2.61 0.34 -0.17 4.97 3.41 -1.19 -4.81 113.62 113.57 2r1k n SER 308 Ca 0.01 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2r1k n SER 308 Cb 0.53 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2r1k n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r1k n TYR 309 N -0.22 0.00 -1.98 7.33 9.36 -1.26 -5.09 117.16 125.30 2r1k n TYR 309 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 2r1k n TYR 309 Cb 0.09 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.83 2r1k n TYR 309 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2r1k s VAL 310 N -0.85 3.04 0.29 2.97 -7.23 -1.26 -4.97 120.40 112.39 2r1k s VAL 310 Ca 0.00 0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 2r1k s VAL 310 Cb 0.00 -3.16 -0.11 0.00 0.56 0.00 0.00 36.38 33.68 2r1k s VAL 310 CO 0.00 -0.21 1.46 -0.89 -0.31 0.00 0.00 175.10 175.15 2r1k s THR 311 N -1.95 2.44 0.00 5.32 2.01 -1.26 -2.43 115.64 119.77 2r1k s THR 311 Ca 0.72 0.39 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2r1k s THR 311 Cb -0.24 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2r1k s THR 311 CO 0.34 0.07 0.00 0.59 -0.69 0.00 0.00 174.62 174.94 2r1k n ASN 312 N 1.78 -0.44 -0.35 3.53 3.02 -1.26 -4.89 115.26 116.65 2r1k n ASN 312 Ca 0.05 0.00 0.27 0.00 -0.03 0.00 0.00 54.58 54.88 2r1k n ASN 312 Cb 0.40 -0.46 0.57 0.00 -0.61 0.00 0.00 39.78 39.68 2r1k n ASN 312 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2r1k h ILE 313 N 0.00 0.43 -0.66 2.41 6.09 -1.82 -1.14 117.51 122.82 2r1k h ILE 313 Ca 0.00 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 2r1k h ILE 313 Cb 0.02 0.13 -0.03 0.00 0.47 0.00 0.00 36.82 37.41 2r1k h ILE 313 CO 0.00 0.05 0.36 -0.03 -3.07 0.00 0.00 178.15 175.46 2r1k h MET 314 N 0.27 0.92 -0.74 2.19 4.05 -1.88 -0.78 114.93 118.97 2r1k h MET 314 Ca 0.63 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.92 2r1k h MET 314 Cb 1.83 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 32.41 2r1k h MET 314 CO -0.28 0.68 0.33 -0.44 0.23 0.00 0.00 176.91 177.43 2r1k h ASP 315 N 0.93 0.99 0.12 1.39 3.32 -1.61 -1.62 116.42 119.93 2r1k h ASP 315 Ca 0.24 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2r1k h ASP 315 Cb 0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2r1k h ASP 315 CO -0.04 0.86 -0.06 0.58 -1.72 0.00 0.00 179.24 178.87 2r1k h VAL 316 N 1.05 0.98 -0.56 -1.35 2.07 -1.39 -2.90 116.25 114.14 2r1k h VAL 316 Ca 0.25 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2r1k h VAL 316 Cb 0.16 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2r1k h VAL 316 CO -0.03 0.09 0.17 0.24 0.02 0.00 0.00 177.57 178.06 2r1k h MET 317 N -0.33 0.31 0.00 1.57 2.86 -1.14 -1.92 114.93 116.29 2r1k h MET 317 Ca -0.02 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2r1k h MET 317 Cb 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2r1k h MET 317 CO 0.03 0.21 -0.37 -0.44 1.06 0.00 0.00 176.91 177.39 2r1k h ASP 318 N 0.32 0.00 -0.09 1.22 3.32 -1.32 -0.67 116.42 119.20 2r1k h ASP 318 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 2r1k h ASP 318 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2r1k h ASP 318 CO -0.33 0.37 -0.06 0.03 -1.72 0.00 0.00 179.24 177.54 2r1k h ARG 319 N 0.00 0.20 -0.78 3.56 3.08 -1.22 -2.53 114.38 116.69 2r1k h ARG 319 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2r1k h ARG 319 Cb 0.83 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 2r1k h ARG 319 CO 0.05 0.59 0.49 0.82 -1.07 0.00 0.00 179.97 180.85 2r1k h ILE 320 N -0.18 1.21 -2.24 2.04 2.04 -1.21 -3.39 117.51 115.78 2r1k h ILE 320 Ca 0.02 -0.42 -0.58 0.00 1.00 0.00 0.00 64.86 64.88 2r1k h ILE 320 Cb 0.54 0.10 -0.39 0.00 -0.74 0.00 0.00 36.82 36.33 2r1k h ILE 320 CO 0.02 0.21 -1.00 -3.20 0.00 0.00 0.00 178.15 174.18 2r1k n ASN 321 N -4.51 0.14 0.29 1.72 5.15 -0.27 -4.97 115.26 112.81 2r1k n ASN 321 Ca 0.07 -2.59 0.19 0.00 -0.60 0.00 0.00 54.58 51.66 2r1k n ASN 321 Cb 0.04 -0.60 0.94 0.00 -0.53 0.00 0.00 39.78 39.62 2r1k n ASN 321 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2r1k h PRO 322 N 4.87 0.00 0.00 1.20 0.13 -1.66 -2.08 132.00 134.46 2r1k h PRO 322 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2r1k h PRO 322 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2r1k h PRO 322 CO 0.45 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 2r1k n ASP 323 N -2.98 0.57 0.00 1.44 8.00 -1.26 -4.95 116.55 117.37 2r1k n ASP 323 Ca -0.01 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2r1k n ASP 323 Cb 0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2r1k n ASP 323 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r1k n GLY 324 N -0.26 3.46 0.41 0.44 0.00 -0.78 -1.19 105.19 107.26 2r1k n GLY 324 Ca 0.02 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2r1k n GLY 324 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2r1k n MET 325 N 14.00 1.52 0.00 1.61 2.81 -1.26 -2.56 117.12 133.25 2r1k n MET 325 Ca 0.00 -0.80 0.13 0.00 -1.81 0.00 0.00 57.70 55.22 2r1k n MET 325 Cb 0.00 -1.29 0.33 0.00 -0.71 0.00 0.00 33.22 31.56 2r1k n MET 325 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2r1k n ALA 326 N 0.07 3.00 -0.29 3.04 0.00 -0.34 -4.44 120.51 121.56 2r1k n ALA 326 Ca 0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.04 2r1k n ALA 326 Cb 0.23 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.68 2r1k n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2r1k h PHE 327 N 1.88 1.07 0.57 0.00 3.57 -1.58 -0.74 116.94 121.71 2r1k h PHE 327 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2r1k h PHE 327 Cb 0.58 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.98 2r1k h PHE 327 CO 0.00 0.74 -0.27 0.28 -2.23 0.00 0.00 178.31 176.83 2r1k h VAL 328 N 1.08 0.44 -0.01 1.41 2.07 -1.83 -0.24 116.25 119.17 2r1k h VAL 328 Ca 0.28 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 2r1k h VAL 328 Cb 0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2r1k h VAL 328 CO -0.05 0.00 -0.24 1.55 0.02 0.00 0.00 177.57 178.86 2r1k h PRO 329 N -0.78 0.01 0.04 1.57 0.13 -1.83 -0.54 132.00 130.61 2r1k h PRO 329 Ca -0.08 -0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.79 2r1k h PRO 329 Cb 0.59 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 2r1k h PRO 329 CO 0.13 0.25 -1.31 -0.07 -0.23 0.00 0.00 178.00 176.77 2r1k h LEU 330 N 0.01 0.13 0.00 1.56 3.38 -0.98 -3.39 115.31 116.02 2r1k h LEU 330 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2r1k h LEU 330 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2r1k h LEU 330 CO 0.03 1.14 -0.59 0.54 0.09 0.00 0.00 178.44 179.65 2r1k n ARG 331 N -3.32 0.00 -0.01 1.13 5.12 -0.12 -4.72 116.66 114.75 2r1k n ARG 331 Ca -0.09 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.71 2r1k n ARG 331 Cb 1.00 -0.46 -0.08 0.00 -1.16 0.00 0.00 32.46 31.76 2r1k n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2r1k h VAL 332 N 0.00 1.24 -0.31 1.55 2.07 -1.29 -2.56 116.25 116.96 2r1k h VAL 332 Ca 0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2r1k h VAL 332 Cb 0.59 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2r1k h VAL 332 CO 0.00 0.20 0.12 0.40 0.02 0.00 0.00 177.57 178.31 2r1k h ILE 333 N -0.23 1.19 0.00 4.57 1.08 -1.31 -1.97 117.51 120.83 2r1k h ILE 333 Ca 0.01 -0.57 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 2r1k h ILE 333 Cb 0.32 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2r1k h ILE 333 CO 0.00 0.20 -0.30 -0.65 -0.69 0.00 0.00 178.15 176.70 2r1k h PRO 334 N 0.35 0.00 -0.48 2.37 0.11 -1.78 -0.96 132.00 131.61 2r1k h PRO 334 Ca 0.10 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2r1k h PRO 334 Cb 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2r1k h PRO 334 CO -0.01 0.30 -0.02 0.35 -0.21 0.00 0.00 178.00 178.41 2r1k h PHE 335 N 0.00 0.88 -0.08 0.65 3.57 -1.20 -1.30 116.94 119.46 2r1k h PHE 335 Ca -0.00 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 2r1k h PHE 335 Cb 0.57 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2r1k h PHE 335 CO 0.00 0.82 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.57 2r1k h LEU 336 N 0.76 0.37 -1.01 0.59 3.38 -0.77 -1.71 115.31 116.92 2r1k h LEU 336 Ca 0.14 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2r1k h LEU 336 Cb 0.49 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2r1k h LEU 336 CO 0.02 0.92 0.66 -0.09 0.09 0.00 0.00 178.44 180.04 2r1k h ARG 337 N -0.16 1.22 0.00 1.13 2.43 -1.13 -1.08 114.38 116.78 2r1k h ARG 337 Ca -0.01 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2r1k h ARG 337 Cb 0.89 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2r1k h ARG 337 CO 0.06 0.80 -0.41 0.93 -1.51 0.00 0.00 179.97 179.84 2r1k h GLU 338 N 1.25 0.00 0.00 0.20 5.08 -1.10 0.63 114.58 120.64 2r1k h GLU 338 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2r1k h GLU 338 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2r1k h GLU 338 CO -0.14 0.41 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 2r1k n LYS 339 N -3.74 0.74 -0.45 2.33 4.76 -0.65 -4.90 118.16 116.24 2r1k n LYS 339 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2r1k n LYS 339 Cb 0.49 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2r1k n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2r1k n GLY 340 N 0.47 0.76 3.70 0.72 0.00 0.21 -5.04 105.19 106.00 2r1k n GLY 340 Ca 0.17 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2r1k n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1k s VAL 341 N -2.00 4.10 0.49 1.61 1.01 -0.47 -4.99 120.40 120.15 2r1k s VAL 341 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.23 2r1k s VAL 341 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 2r1k s VAL 341 CO 0.00 0.04 1.20 -2.84 0.00 0.00 0.00 175.10 173.50 2r1k s PRO 342 N 1.86 3.57 0.27 2.72 0.02 -1.26 -4.23 135.00 137.95 2r1k s PRO 342 Ca 0.58 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.45 2r1k s PRO 342 Cb -0.27 -2.32 0.63 0.00 0.02 0.00 0.00 34.50 32.56 2r1k s PRO 342 CO 0.25 -0.73 1.69 -1.00 -0.33 0.00 0.00 177.00 176.89 2r1k h PRO 343 N 1.81 0.36 -0.88 5.54 0.13 -1.97 -1.56 132.00 135.42 2r1k h PRO 343 Ca -0.50 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 2r1k h PRO 343 Cb 1.26 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2r1k h PRO 343 CO 0.59 0.24 0.53 0.93 -0.23 0.00 0.00 178.00 180.05 2r1k h GLU 344 N 0.37 0.86 -0.50 0.86 3.07 -1.99 -0.26 114.58 116.99 2r1k h GLU 344 Ca 0.51 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.24 2r1k h GLU 344 Cb 0.93 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2r1k h GLU 344 CO -0.52 0.57 0.01 1.15 -1.40 0.00 0.00 179.01 178.82 2r1k h THR 345 N 0.89 1.26 -0.42 1.13 2.02 -1.68 -1.42 112.91 114.69 2r1k h THR 345 Ca 0.42 -1.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.38 2r1k h THR 345 Cb 0.34 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2r1k h THR 345 CO -0.23 0.37 -0.32 -0.07 0.37 0.00 0.00 175.52 175.64 2r1k h LEU 346 N 0.74 1.02 -0.25 2.58 3.38 -1.03 -0.83 115.31 120.92 2r1k h LEU 346 Ca 0.14 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2r1k h LEU 346 Cb 0.50 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2r1k h LEU 346 CO 0.02 1.24 -0.01 0.00 0.09 0.00 0.00 178.44 179.79 2r1k h ALA 347 N 0.81 0.22 -0.82 1.53 0.00 -1.12 -2.37 119.26 117.51 2r1k h ALA 347 Ca 0.08 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.20 2r1k h ALA 347 Cb 0.92 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2r1k h ALA 347 CO 0.09 -0.43 0.42 0.78 0.00 0.00 0.00 179.25 180.10 2r1k h GLY 348 N 0.07 1.32 0.81 0.00 0.00 -0.84 -1.19 103.07 103.23 2r1k h GLY 348 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2r1k h GLY 348 CO -0.21 -0.03 0.00 -2.08 0.00 0.00 0.00 176.54 174.23 2r1k h VAL 349 N 0.61 1.25 0.00 4.60 2.07 -1.04 0.04 116.25 123.77 2r1k h VAL 349 Ca 0.44 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2r1k h VAL 349 Cb 0.61 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2r1k h VAL 349 CO -0.35 0.25 -0.77 0.35 0.02 0.00 0.00 177.57 177.07 2r1k n THR 350 N -4.73 0.27 0.05 2.57 -2.24 -0.90 -4.25 114.28 105.06 2r1k n THR 350 Ca -0.05 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2r1k n THR 350 Cb 0.22 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2r1k n THR 350 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2r1k n VAL 351 N -2.02 1.16 -0.08 2.28 0.31 -0.46 -1.70 118.33 117.81 2r1k n VAL 351 Ca 0.03 0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 64.64 2r1k n VAL 351 Cb 0.43 -1.53 0.03 0.00 -0.91 0.00 0.00 33.84 31.87 2r1k n VAL 351 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2r1k h ALA 352 N 0.00 0.69 -0.03 3.52 0.00 -1.35 -2.59 119.26 119.50 2r1k h ALA 352 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2r1k h ALA 352 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2r1k h ALA 352 CO 0.00 0.67 -0.02 -0.91 0.00 0.00 0.00 179.25 178.99 2r1k h ASN 353 N 0.66 0.07 -1.01 0.00 2.35 -1.17 -1.47 115.58 115.01 2r1k h ASN 353 Ca 0.06 -0.42 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 2r1k h ASN 353 Cb 0.93 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.22 2r1k h ASN 353 CO 0.09 0.47 0.65 -0.65 -1.65 0.00 0.00 177.43 176.35 2r1k h PRO 354 N -0.33 1.18 -0.09 0.81 0.11 -1.76 -0.33 132.00 131.59 2r1k h PRO 354 Ca 0.01 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2r1k h PRO 354 Cb 0.45 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2r1k h PRO 354 CO 0.00 0.78 0.05 0.00 -0.21 0.00 0.00 178.00 178.62 2r1k h ALA 355 N 1.44 0.11 -0.86 -0.75 0.00 -1.41 0.20 119.26 118.00 2r1k h ALA 355 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2r1k h ALA 355 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2r1k h ALA 355 CO -0.16 -0.41 0.48 -0.09 0.00 0.00 0.00 179.25 179.07 2r1k h ARG 356 N 0.10 1.18 0.25 0.00 2.43 -1.15 -1.73 114.38 115.46 2r1k h ARG 356 Ca 0.04 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2r1k h ARG 356 Cb 0.00 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2r1k h ARG 356 CO -0.02 0.86 -0.12 0.35 -1.51 0.00 0.00 179.97 179.53 2r1k h PHE 357 N 1.19 -0.31 -0.14 2.20 3.57 -0.64 -3.32 116.94 119.49 2r1k h PHE 357 Ca 0.30 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 2r1k h PHE 357 Cb 0.01 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2r1k h PHE 357 CO 0.00 -0.00 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.49 2r1k h LEU 358 N -0.62 0.42 -9.19 0.59 3.38 -0.65 -3.40 115.31 105.84 2r1k h LEU 358 Ca -0.03 -0.22 -0.68 0.00 0.09 0.00 0.00 57.88 57.04 2r1k h LEU 358 Cb 0.45 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2r1k h LEU 358 CO 0.06 0.87 1.01 -0.24 0.09 0.00 0.00 178.44 180.23 2r1k n SER 359 N -3.95 2.87 -4.71 -0.43 2.88 -0.65 -4.74 113.62 104.89 2r1k n SER 359 Ca -0.02 1.01 -0.42 0.00 -1.33 0.00 0.00 58.87 58.11 2r1k n SER 359 Cb 0.57 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 2r1k n SER 359 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2r1k s PRO 360 N 3.89 4.22 0.00 -1.46 0.02 -1.26 -4.88 135.00 135.54 2r1k s PRO 360 Ca 0.96 2.30 0.00 0.00 0.02 0.00 0.00 61.00 64.29 2r1k s PRO 360 Cb -0.90 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.30 2r1k s PRO 360 CO 0.59 -0.63 0.00 2.41 -0.33 0.00 0.00 177.00 179.05