#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr n SER 2 N 0.00 5.45 -4.66 1.61 7.64 -1.26 -5.02 113.62 117.38 2crr n SER 2 Ca 0.00 -3.75 -0.43 0.00 1.01 0.00 0.00 58.87 55.70 2crr n SER 2 Cb 0.00 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 2crr n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crr s SER 3 N -3.19 7.09 -0.34 6.43 0.15 -1.26 -4.91 113.70 117.67 2crr s SER 3 Ca 0.53 1.41 0.16 0.00 0.70 0.00 0.00 55.95 58.74 2crr s SER 3 Cb 0.43 -2.54 0.44 0.00 -1.71 0.00 0.00 66.02 62.64 2crr s SER 3 CO -0.03 -0.68 1.07 0.61 1.20 0.00 0.00 173.24 175.41 2crr n GLY 4 N 3.34 1.48 3.04 9.45 0.00 -1.26 -5.06 105.19 116.19 2crr n GLY 4 Ca 0.12 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 2crr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crr s SER 5 N -2.63 -0.11 0.05 1.61 1.04 -1.26 -5.15 113.70 107.24 2crr s SER 5 Ca 0.25 0.52 -0.28 0.00 0.48 0.00 0.00 55.95 56.93 2crr s SER 5 Cb 0.44 1.33 0.09 0.00 0.10 0.00 0.00 66.02 67.98 2crr s SER 5 CO 0.00 -0.28 0.94 -0.94 0.98 0.00 0.00 173.24 173.94 2crr s SER 6 N 2.61 -0.28 0.00 7.02 1.04 -1.26 -5.15 113.70 117.68 2crr s SER 6 Ca 0.10 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2crr s SER 6 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2crr s SER 6 CO -0.16 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2crr n GLY 7 N -0.33 0.59 1.82 7.32 0.00 -1.26 -4.96 105.19 108.37 2crr n GLY 7 Ca -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2crr n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2crr n LYS 8 N 0.00 -2.16 -1.12 1.61 2.85 -1.26 -4.70 118.16 113.38 2crr n LYS 8 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2crr n LYS 8 Cb 0.00 -3.87 0.02 0.00 -0.65 0.00 0.00 35.03 30.52 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2crr n ALA 9 N -1.79 5.64 -0.08 0.58 0.00 -1.26 -4.41 120.51 119.20 2crr n ALA 9 Ca 0.00 -2.28 -0.17 0.00 0.00 0.00 0.00 53.44 50.99 2crr n ALA 9 Cb 0.30 -1.64 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 2crr n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2crr h GLN 10 N 1.97 0.01 -0.38 0.00 4.20 -2.01 -3.37 115.11 115.53 2crr h GLN 10 Ca 0.36 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 2crr h GLN 10 Cb 0.83 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2crr h GLN 10 CO 0.90 1.01 -0.34 0.87 -0.67 0.00 0.00 178.83 180.60 2crr h LYS 11 N -0.98 0.90 -2.01 1.46 1.79 -1.99 -3.17 116.57 112.58 2crr h LYS 11 Ca -0.13 -0.46 -0.10 0.00 -2.18 0.00 0.00 60.65 57.78 2crr h LYS 11 Cb 1.13 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 2crr h LYS 11 CO -0.07 1.11 -0.19 -0.11 -1.08 0.00 0.00 179.45 179.11 2crr n LEU 12 N -4.11 5.23 -4.69 2.94 7.94 -1.26 -4.87 117.00 118.18 2crr n LEU 12 Ca -0.02 -2.77 -0.38 0.00 -1.11 0.00 0.00 56.01 51.72 2crr n LEU 12 Cb 0.52 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 2crr n LEU 12 CO 0.48 1.34 0.19 0.54 -1.11 0.00 0.00 177.39 178.83 2crr s ASN 13 N 2.01 6.61 -0.01 1.96 2.20 -1.20 -4.93 114.94 121.58 2crr s ASN 13 Ca 0.34 0.73 -0.00 0.00 -0.94 0.00 0.00 52.86 52.98 2crr s ASN 13 Cb 0.16 -2.28 -0.01 0.00 -2.00 0.00 0.00 41.25 37.12 2crr s ASN 13 CO 0.00 -0.08 -0.01 1.21 -2.94 0.00 0.00 177.10 175.28 2crr n GLU 14 N 4.20 0.02 -3.78 3.55 4.07 -1.26 -5.08 120.64 122.36 2crr n GLU 14 Ca -0.06 0.01 -0.13 0.00 -0.06 0.00 0.00 57.16 56.92 2crr n GLU 14 Cb 0.51 -0.65 -0.12 0.00 -0.06 0.00 0.00 31.44 31.12 2crr n GLU 14 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 2crr s GLN 15 N -2.02 0.30 0.08 5.31 -2.07 -1.26 -5.07 119.66 114.93 2crr s GLN 15 Ca -0.01 0.37 -0.31 0.00 -1.82 0.00 0.00 55.36 53.59 2crr s GLN 15 Cb 0.01 0.13 -0.14 0.00 -1.09 0.00 0.00 33.01 31.92 2crr s GLN 15 CO 0.02 -0.04 1.49 0.45 -1.32 0.00 0.00 175.29 175.88 2crr h HIS 16 N 5.82 -1.28 -0.71 9.60 3.86 -1.98 -1.55 115.15 128.91 2crr h HIS 16 Ca -0.27 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.09 2crr h HIS 16 Cb 1.19 0.52 -0.13 0.00 1.06 0.00 0.00 27.41 30.05 2crr h HIS 16 CO 0.40 -0.56 -0.23 1.04 0.86 0.00 0.00 177.93 179.44 2crr n GLN 17 N -5.11 -0.11 0.07 2.45 3.00 -1.26 0.90 117.38 117.31 2crr n GLN 17 Ca -0.09 1.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.87 2crr n GLN 17 Cb 0.39 -1.64 -0.08 0.00 0.00 0.00 0.00 30.24 28.91 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2crr h LEU 18 N 0.00 -0.10 0.05 1.08 5.85 -1.89 -2.82 115.31 117.47 2crr h LEU 18 Ca 0.30 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2crr h LEU 18 Cb 0.47 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2crr h LEU 18 CO -0.72 0.07 -0.35 0.40 -0.34 0.00 0.00 178.44 177.50 2crr h ILE 19 N -0.27 0.00 -1.09 4.05 2.04 0.15 0.25 117.51 122.64 2crr h ILE 19 Ca -0.01 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.22 2crr h ILE 19 Cb 0.23 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.16 2crr h ILE 19 CO 0.02 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 178.75 2crr h LEU 20 N -0.48 0.40 -0.15 1.44 3.38 -0.97 0.57 115.31 119.49 2crr h LEU 20 Ca -0.00 0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2crr h LEU 20 Cb 0.49 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2crr h LEU 20 CO -0.21 -0.20 -0.47 0.28 0.09 0.00 0.00 178.44 177.93 2crr h SER 21 N 0.19 0.67 -0.80 -0.43 0.02 -0.94 -2.98 113.55 109.29 2crr h SER 21 Ca 0.78 -0.60 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2crr h SER 21 Cb 2.04 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 64.33 2crr h SER 21 CO -0.58 1.15 0.52 0.11 -1.14 0.00 0.00 176.83 176.90 2crr h LYS 22 N 0.22 0.79 0.18 3.45 1.57 0.34 -1.87 116.57 121.27 2crr h LYS 22 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2crr h LYS 22 Cb 1.09 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2crr h LYS 22 CO 0.10 0.52 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.34 2crr h LEU 23 N 0.82 -0.21 -0.40 2.94 3.38 -1.15 -3.20 115.31 117.48 2crr h LEU 23 Ca 0.36 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2crr h LEU 23 Cb 0.32 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2crr h LEU 23 CO -0.13 0.10 -0.08 -0.07 0.09 0.00 0.00 178.44 178.35 2crr h LEU 24 N -0.54 -0.33 -1.22 1.67 3.38 -1.30 -0.48 115.31 116.49 2crr h LEU 24 Ca -0.03 0.12 0.38 0.00 0.09 0.00 0.00 57.88 58.44 2crr h LEU 24 Cb 0.41 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 2crr h LEU 24 CO 0.04 -0.12 0.70 0.03 0.09 0.00 0.00 178.44 179.18 2crr h ARG 25 N 0.02 0.18 -6.82 1.13 3.08 -1.35 -3.27 114.38 107.36 2crr h ARG 25 Ca 0.19 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.70 2crr h ARG 25 Cb 0.30 -0.04 0.08 0.00 0.08 0.00 0.00 29.97 30.38 2crr h ARG 25 CO -0.40 0.12 0.80 -1.21 -1.07 0.00 0.00 179.97 178.21 2crr s GLU 26 N -5.47 4.19 0.39 0.04 2.02 -0.19 -4.83 118.70 114.85 2crr s GLU 26 Ca -0.09 2.45 0.15 0.00 0.02 0.00 0.00 54.97 57.51 2crr s GLU 26 Cb 0.30 -3.05 1.01 0.00 0.10 0.00 0.00 34.13 32.49 2crr s GLU 26 CO 0.80 -0.50 1.83 0.93 0.02 0.00 0.00 175.26 178.34 2crr h GLU 27 N 4.43 0.47 -0.04 1.61 3.07 -1.85 0.47 114.58 122.74 2crr h GLU 27 Ca -0.48 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2crr h GLU 27 Cb 1.22 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2crr h GLU 27 CO 0.75 0.31 0.05 -0.44 -1.40 0.00 0.00 179.01 178.28 2crr h ASP 28 N 0.49 0.00 -0.21 1.42 3.32 -1.88 -1.66 116.42 117.90 2crr h ASP 28 Ca 0.50 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 2crr h ASP 28 Cb 1.14 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 2crr h ASP 28 CO -0.23 0.00 -0.64 0.59 -1.72 0.00 0.00 179.24 177.25 2crr n ASN 29 N -3.76 2.49 0.03 6.45 3.02 0.16 -4.56 115.26 119.09 2crr n ASN 29 Ca -0.02 -3.69 -0.07 0.00 -0.03 0.00 0.00 54.58 50.78 2crr n ASN 29 Cb 0.14 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2crr h LYS 30 N 1.35 0.00 -5.10 3.52 1.79 -0.62 -3.40 116.57 114.12 2crr h LYS 30 Ca 0.08 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.08 2crr h LYS 30 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 2crr h LYS 30 CO 0.21 0.70 -0.58 0.71 -1.08 0.00 0.00 179.45 179.40 2crr s TYR 31 N -2.69 1.82 1.10 -1.35 2.02 -1.26 -3.54 117.35 113.46 2crr s TYR 31 Ca -0.02 -1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 55.46 2crr s TYR 31 Cb 0.09 -1.16 0.25 0.00 -0.40 0.00 0.00 41.96 40.74 2crr s TYR 31 CO 0.82 -0.16 1.06 0.00 -1.57 0.00 0.00 175.55 175.69 2crr n ALA 33 N -4.76 4.26 -0.01 0.00 0.00 -1.19 -3.06 120.51 115.76 2crr n ALA 33 Ca 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 2crr n ALA 33 Cb 0.54 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2crr n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2crr n ASP 34 N -1.18 0.64 -0.87 0.00 8.00 -1.26 -4.77 116.55 117.11 2crr n ASP 34 Ca 0.06 0.10 0.08 0.00 0.71 0.00 0.00 54.79 55.73 2crr n ASP 34 Cb 0.36 -0.23 0.21 0.00 -0.02 0.00 0.00 41.12 41.43 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crr n GLU 36 N 0.90 -0.84 -0.85 0.00 1.02 -1.17 -4.77 120.64 114.93 2crr n GLU 36 Ca 0.16 0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 57.09 2crr n GLU 36 Cb 0.49 -3.44 0.17 0.00 -0.02 0.00 0.00 31.44 28.64 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr s ALA 37 N -3.28 1.11 -0.39 0.62 0.00 -1.26 -4.21 121.76 114.35 2crr s ALA 37 Ca 0.42 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 2crr s ALA 37 Cb -0.25 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2crr s ALA 37 CO 0.81 -2.81 0.72 0.21 0.00 0.00 0.00 175.76 174.70 2crr s LYS 38 N -4.70 3.60 0.00 0.00 2.20 -1.26 -2.35 119.74 117.22 2crr s LYS 38 Ca 0.66 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2crr s LYS 38 Cb -0.21 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2crr s LYS 38 CO 0.59 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 2crr n GLY 39 N 4.74 0.68 3.58 5.54 0.00 -1.23 -4.94 105.19 113.55 2crr n GLY 39 Ca 0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2crr n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 40 N -2.69 2.50 0.00 1.61 0.04 -1.26 -4.82 135.00 130.38 2crr s PRO 40 Ca 0.00 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 59.86 2crr s PRO 40 Cb 0.00 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.29 2crr s PRO 40 CO 0.00 -3.99 0.62 -2.13 0.04 0.00 0.00 177.00 171.54 2crr n ARG 41 N 8.28 0.00 -0.89 4.56 3.00 -1.26 -4.57 116.66 125.78 2crr n ARG 41 Ca 0.45 0.15 -0.36 0.00 -0.00 0.00 0.00 57.85 58.08 2crr n ARG 41 Cb 0.47 -1.12 0.08 0.00 0.00 0.00 0.00 32.46 31.89 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2crr n TRP 42 N -0.88 -2.08 -3.64 -0.14 7.02 -1.17 -4.67 117.44 111.88 2crr n TRP 42 Ca 0.00 0.35 -0.09 0.00 -1.02 0.00 0.00 57.50 56.74 2crr n TRP 42 Cb 0.00 -1.48 -0.07 0.00 -2.42 0.00 0.00 31.31 27.34 2crr n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crr s ALA 43 N -2.10 -1.91 -0.73 6.99 0.00 -1.25 -2.47 121.76 120.29 2crr s ALA 43 Ca 0.44 2.16 -0.19 0.00 0.00 0.00 0.00 51.96 54.37 2crr s ALA 43 Cb -0.04 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.83 2crr s ALA 43 CO 0.69 -0.34 0.87 0.45 0.00 0.00 0.00 175.76 177.44 2crr s SER 44 N 0.89 6.39 0.09 0.00 0.15 0.14 -4.03 113.70 117.33 2crr s SER 44 Ca -0.04 -1.73 -0.23 0.00 0.70 0.00 0.00 55.95 54.65 2crr s SER 44 Cb -0.05 -2.33 -0.15 0.00 -1.71 0.00 0.00 66.02 61.78 2crr s SER 44 CO -0.09 -1.07 1.73 4.11 1.20 0.00 0.00 173.24 179.12 2crr h TRP 45 N 8.94 -0.06 -0.80 3.44 5.08 -1.81 0.30 115.95 131.04 2crr h TRP 45 Ca -0.11 -0.00 0.19 0.00 1.08 0.00 0.00 58.89 60.05 2crr h TRP 45 Cb 1.06 0.02 -0.15 0.00 -3.00 0.00 0.00 29.16 27.09 2crr h TRP 45 CO 0.98 -0.04 -0.10 -1.71 -1.28 0.00 0.00 178.44 176.29 2crr n ASN 46 N -5.12 -0.19 -0.08 0.11 5.15 -1.26 -1.07 115.26 112.80 2crr n ASN 46 Ca -0.07 1.37 -0.20 0.00 -0.60 0.00 0.00 54.58 55.08 2crr n ASN 46 Cb 0.06 -0.45 -0.12 0.00 -0.53 0.00 0.00 39.78 38.73 2crr n ASN 46 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2crr h ILE 47 N 0.00 1.14 0.00 -1.44 2.04 -1.84 -3.44 117.51 113.97 2crr h ILE 47 Ca 0.43 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2crr h ILE 47 Cb 0.78 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2crr h ILE 47 CO -0.79 0.46 0.00 0.61 0.00 0.00 0.00 178.15 178.43 2crr n GLY 48 N 1.54 1.35 3.02 5.37 0.00 0.10 -4.74 105.19 111.83 2crr n GLY 48 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2crr n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crr s VAL 49 N -2.00 0.17 -0.20 1.61 -7.23 -1.04 0.13 120.40 111.84 2crr s VAL 49 Ca 0.00 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 58.81 2crr s VAL 49 Cb 0.00 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2crr s VAL 49 CO 0.00 -0.64 0.47 -0.36 -0.31 0.00 0.00 175.10 174.27 2crr s PHE 50 N -2.16 3.38 0.20 2.82 0.40 -1.26 -0.68 117.98 120.67 2crr s PHE 50 Ca -0.09 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.01 2crr s PHE 50 Cb -0.05 -2.61 -0.05 0.00 0.51 0.00 0.00 43.02 40.82 2crr s PHE 50 CO -0.03 -0.06 -0.09 0.96 0.70 0.00 0.00 175.22 176.70 2crr s ILE 51 N 1.48 1.40 0.91 0.64 -4.36 -1.03 -3.15 121.20 117.08 2crr s ILE 51 Ca 0.22 -2.11 -0.15 0.00 -0.26 0.00 0.00 60.65 58.35 2crr s ILE 51 Cb -0.15 -2.11 0.16 0.00 1.25 0.00 0.00 42.46 41.60 2crr s ILE 51 CO 0.09 -0.54 1.26 0.00 0.24 0.00 0.00 174.94 176.00 2crr h ILE 53 N -1.45 1.26 0.24 0.00 6.09 -1.93 -1.47 117.51 120.25 2crr h ILE 53 Ca -0.45 -1.08 0.01 0.00 -1.37 0.00 0.00 64.86 61.97 2crr h ILE 53 Cb 1.27 0.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.43 2crr h ILE 53 CO 0.49 0.39 -0.37 -0.09 -3.07 0.00 0.00 178.15 175.49 2crr h ARG 54 N 0.82 -0.65 -0.55 2.19 1.12 -2.01 -1.81 114.38 113.48 2crr h ARG 54 Ca 0.15 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.06 2crr h ARG 54 Cb 0.51 0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.59 2crr h ARG 54 CO 0.02 -0.44 0.32 0.00 -3.11 0.00 0.00 179.97 176.77 2crr h ALA 56 N 1.15 0.41 -1.01 0.00 0.00 -0.91 0.94 119.26 119.85 2crr h ALA 56 Ca 0.20 0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.56 2crr h ALA 56 Cb 0.01 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2crr h ALA 56 CO -0.04 -0.43 0.61 0.78 0.00 0.00 0.00 179.25 180.18 2crr h GLY 57 N 0.01 1.77 0.86 0.00 0.00 -1.10 -0.71 103.07 103.90 2crr h GLY 57 Ca 0.29 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2crr h GLY 57 CO -0.61 -0.15 -0.35 -2.22 0.00 0.00 0.00 176.54 173.21 2crr h ILE 58 N 0.64 1.35 -0.48 2.60 5.03 -0.90 -3.27 117.51 122.48 2crr h ILE 58 Ca 0.61 -1.60 0.10 0.00 -0.12 0.00 0.00 64.86 63.85 2crr h ILE 58 Cb 1.10 1.95 -0.10 0.00 -3.03 0.00 0.00 36.82 36.74 2crr h ILE 58 CO -0.41 0.48 -0.19 0.45 -0.68 0.00 0.00 178.15 177.81 2crr h HIS 59 N 0.17 -0.45 -0.71 1.37 3.86 -0.15 -1.17 115.15 118.07 2crr h HIS 59 Ca 0.00 0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.40 2crr h HIS 59 Cb 0.94 0.27 -0.13 0.00 1.06 0.00 0.00 27.41 29.55 2crr h HIS 59 CO 0.10 -0.27 -0.20 0.00 0.86 0.00 0.00 177.93 178.41 2crr h ARG 60 N -0.08 -0.02 -0.39 2.45 3.08 -1.48 0.14 114.38 118.09 2crr h ARG 60 Ca 0.23 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.36 2crr h ARG 60 Cb 0.43 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 2crr h ARG 60 CO -0.54 -0.01 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.31 2crr h ASN 61 N -0.02 -0.47 -0.75 7.04 2.35 -1.30 -2.11 115.58 120.31 2crr h ASN 61 Ca 0.33 0.13 0.13 0.00 -0.55 0.00 0.00 56.30 56.35 2crr h ASN 61 Cb 0.53 0.28 -0.13 0.00 0.05 0.00 0.00 38.32 39.05 2crr h ASN 61 CO -0.74 -0.17 -0.25 0.18 -1.65 0.00 0.00 177.43 174.81 2crr n LEU 62 N -5.33 -0.39 0.00 1.61 4.77 0.03 -4.83 117.00 112.85 2crr n LEU 62 Ca 0.02 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 2crr n LEU 62 Cb 0.24 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2crr n LEU 62 CO 0.14 -1.21 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 2crr n GLY 63 N -1.41 4.37 0.54 -0.72 0.00 -0.79 -4.74 105.19 102.43 2crr n GLY 63 Ca 0.10 -0.95 0.36 0.00 0.00 0.00 0.00 46.02 45.53 2crr n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crr h VAL 64 N 0.00 0.37 -0.03 1.61 -1.51 -1.76 1.12 116.25 116.05 2crr h VAL 64 Ca 0.00 -0.01 -0.14 0.00 -1.23 0.00 0.00 66.70 65.32 2crr h VAL 64 Cb 0.00 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 29.47 2crr h VAL 64 CO 0.00 0.01 -0.62 1.12 -1.23 0.00 0.00 177.57 176.85 2crr h HIS 65 N 0.04 0.15 0.00 5.19 -0.00 -1.96 -3.33 115.15 115.24 2crr h HIS 65 Ca 0.61 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.85 2crr h HIS 65 Cb 2.35 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.72 2crr h HIS 65 CO -0.00 0.71 -0.50 0.82 -0.00 0.00 0.00 177.93 178.96 2crr h ILE 66 N 0.09 0.81 -2.68 6.12 2.04 0.85 -3.49 117.51 121.25 2crr h ILE 66 Ca -0.01 -1.76 -0.11 0.00 1.00 0.00 0.00 64.86 63.98 2crr h ILE 66 Cb 1.12 1.68 -0.24 0.00 -0.74 0.00 0.00 36.82 38.64 2crr h ILE 66 CO 0.09 0.27 -0.20 -0.94 0.00 0.00 0.00 178.15 177.37 2crr s SER 67 N -6.19 -0.45 -0.25 1.72 1.04 0.47 -4.88 113.70 105.16 2crr s SER 67 Ca -0.17 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.10 2crr s SER 67 Cb 0.01 0.88 0.03 0.00 0.10 0.00 0.00 66.02 67.04 2crr s SER 67 CO 0.43 -0.16 -0.07 -0.13 0.98 0.00 0.00 173.24 174.29 2crr s ARG 68 N 0.18 2.82 0.04 4.02 0.52 -1.26 -3.91 118.95 121.37 2crr s ARG 68 Ca -0.00 -0.99 -0.19 0.00 -0.52 0.00 0.00 55.73 54.03 2crr s ARG 68 Cb -0.03 -2.97 -0.06 0.00 0.52 0.00 0.00 34.95 32.41 2crr s ARG 68 CO 0.01 -0.40 0.54 0.08 0.02 0.00 0.00 175.30 175.55 2crr s VAL 69 N 1.32 4.83 -0.28 3.52 1.01 -1.26 -4.06 120.40 125.46 2crr s VAL 69 Ca -0.00 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 2crr s VAL 69 Cb -0.17 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.46 2crr s VAL 69 CO -0.05 0.53 0.92 -1.59 0.00 0.00 0.00 175.10 174.92 2crr s LYS 70 N -0.91 0.52 0.56 2.72 -2.85 -1.26 -5.04 119.74 113.49 2crr s LYS 70 Ca 0.28 0.76 -0.18 0.00 -1.00 0.00 0.00 55.97 55.84 2crr s LYS 70 Cb -0.19 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.67 2crr s LYS 70 CO 0.18 -0.09 0.51 0.43 0.10 0.00 0.00 175.35 176.48 2crr n SER 71 N 3.17 -1.10 0.08 0.03 7.64 -1.26 -4.08 113.62 118.09 2crr n SER 71 Ca -0.16 0.74 -0.08 0.00 1.01 0.00 0.00 58.87 60.38 2crr n SER 71 Cb 0.57 -1.16 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2crr h VAL 72 N 0.26 0.44 0.00 0.44 2.07 -1.86 -3.28 116.25 114.31 2crr h VAL 72 Ca -0.45 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2crr h VAL 72 Cb 1.40 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2crr h VAL 72 CO 0.47 0.12 -0.57 -3.20 0.02 0.00 0.00 177.57 174.41 2crr n ASN 73 N -4.96 1.80 -0.32 0.57 5.15 -1.26 -4.35 115.26 111.89 2crr n ASN 73 Ca -0.06 0.59 0.23 0.00 -0.60 0.00 0.00 54.58 54.73 2crr n ASN 73 Cb 0.21 -0.85 0.43 0.00 -0.53 0.00 0.00 39.78 39.04 2crr n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2crr n LEU 74 N -4.56 0.12 -4.89 1.20 4.77 -1.26 -4.34 117.00 108.04 2crr n LEU 74 Ca -0.08 1.61 -0.29 0.00 -0.03 0.00 0.00 56.01 57.22 2crr n LEU 74 Cb 0.30 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2crr n LEU 74 CO 0.12 -1.71 0.38 -0.62 -1.33 0.00 0.00 177.39 174.22 2crr s ASP 75 N -4.77 6.44 0.13 -1.43 -1.08 -1.24 -5.02 116.67 109.70 2crr s ASP 75 Ca -0.10 0.97 -0.19 0.00 -0.52 0.00 0.00 52.55 52.71 2crr s ASP 75 Cb 0.30 -2.26 -0.07 0.00 -1.46 0.00 0.00 42.92 39.44 2crr s ASP 75 CO 0.75 -0.39 0.61 0.00 0.52 0.00 0.00 175.17 176.66 2crr s GLN 76 N -3.99 4.19 0.17 4.34 0.00 -1.26 -4.77 119.66 118.33 2crr s GLN 76 Ca 0.48 0.74 0.07 0.00 -0.00 0.00 0.00 55.36 56.65 2crr s GLN 76 Cb -0.10 -3.10 -0.04 0.00 0.00 0.00 0.00 33.01 29.77 2crr s GLN 76 CO 0.34 0.55 -0.14 -1.58 0.00 0.00 0.00 175.29 174.46 2crr s TRP 77 N -1.28 1.58 0.04 9.60 0.52 -1.26 -5.09 118.94 123.05 2crr s TRP 77 Ca 0.34 -0.58 0.08 0.00 0.02 0.00 0.00 56.10 55.97 2crr s TRP 77 Cb -0.18 -0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 31.34 2crr s TRP 77 CO 0.20 0.26 -0.22 0.95 0.02 0.00 0.00 176.95 178.16 2crr s THR 78 N -2.63 1.79 0.26 2.01 -4.23 -1.26 -5.01 115.64 106.58 2crr s THR 78 Ca 0.17 -1.24 0.09 0.00 -1.18 0.00 0.00 61.69 59.52 2crr s THR 78 Cb -0.02 -1.55 0.30 0.00 1.34 0.00 0.00 72.50 72.56 2crr s THR 78 CO 0.05 0.25 1.21 0.00 -0.54 0.00 0.00 174.62 175.59 2crr n ALA 79 N 1.84 0.59 0.02 3.99 0.00 -1.26 -0.05 120.51 125.64 2crr n ALA 79 Ca -0.17 0.80 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 2crr n ALA 79 Cb 0.53 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 2crr n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2crr h GLU 80 N 0.00 -0.48 -0.22 0.00 4.81 -2.01 -0.80 114.58 115.89 2crr h GLU 80 Ca 0.56 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2crr h GLU 80 Cb 1.34 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2crr h GLU 80 CO -0.66 -0.32 0.13 1.96 -0.73 0.00 0.00 179.01 179.39 2crr h GLN 81 N -0.49 0.30 -0.71 1.92 4.20 -0.88 -3.07 115.11 116.38 2crr h GLN 81 Ca 0.02 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2crr h GLN 81 Cb 0.55 -0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.15 2crr h GLN 81 CO -0.30 0.25 -0.47 0.82 -0.67 0.00 0.00 178.83 178.46 2crr h ILE 82 N 0.26 0.05 -0.92 2.54 1.08 -0.82 0.32 117.51 120.02 2crr h ILE 82 Ca 0.08 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.78 2crr h ILE 82 Cb 0.03 0.05 -0.13 0.00 -3.07 0.00 0.00 36.82 33.70 2crr h ILE 82 CO -0.01 0.00 0.43 -0.61 -0.69 0.00 0.00 178.15 177.27 2crr h GLN 83 N -0.16 0.40 0.20 2.37 5.75 -1.06 -1.57 115.11 121.04 2crr h GLN 83 Ca 0.19 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2crr h GLN 83 Cb 0.54 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 2crr h GLN 83 CO -0.78 0.27 -0.52 0.00 -2.65 0.00 0.00 178.83 175.15 2crr n MET 85 N -5.50 -0.13 0.03 0.00 2.81 -0.59 0.62 117.12 114.36 2crr n MET 85 Ca -0.09 1.12 -0.13 0.00 -1.81 0.00 0.00 57.70 56.80 2crr n MET 85 Cb 0.42 -1.67 -0.09 0.00 -0.71 0.00 0.00 33.22 31.17 2crr n MET 85 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2crr h GLN 86 N 0.00 -0.06 -0.34 0.03 7.50 -1.44 0.72 115.11 121.51 2crr h GLN 86 Ca 0.29 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.50 2crr h GLN 86 Cb 0.47 0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.94 2crr h GLN 86 CO -0.73 0.22 -0.52 -0.44 -1.50 0.00 0.00 178.83 175.86 2crr h ASP 87 N -0.34 -1.72 0.00 1.46 3.32 0.15 -3.32 116.42 115.96 2crr h ASP 87 Ca -0.01 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2crr h ASP 87 Cb 0.31 0.71 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2crr h ASP 87 CO 0.01 -0.42 0.00 0.80 -1.72 0.00 0.00 179.24 177.91 2crr n MET 88 N -5.40 0.00 -1.38 3.56 1.56 0.05 -4.93 117.12 110.57 2crr n MET 88 Ca -0.03 0.44 0.17 0.00 -0.27 0.00 0.00 57.70 58.01 2crr n MET 88 Cb 0.35 -0.93 -0.06 0.00 2.15 0.00 0.00 33.22 34.73 2crr n MET 88 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crr n GLY 89 N 1.97 -2.34 0.23 -5.12 0.00 0.25 -3.48 105.19 96.69 2crr n GLY 89 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2crr n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crr h ASN 90 N -1.36 0.74 -0.11 1.61 4.21 -1.84 -2.23 115.58 116.60 2crr h ASN 90 Ca -0.07 -0.34 0.01 0.00 1.21 0.00 0.00 56.30 57.11 2crr h ASN 90 Cb 1.35 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 2crr h ASN 90 CO 0.04 0.91 -0.06 0.41 -1.29 0.00 0.00 177.43 177.44 2crr n THR 91 N -4.38 -0.07 -0.12 2.81 -1.04 -1.26 -0.62 114.28 109.59 2crr n THR 91 Ca -0.01 1.51 -0.10 0.00 -2.04 0.00 0.00 64.05 63.42 2crr n THR 91 Cb 0.33 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.83 2crr n THR 91 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2crr h LYS 92 N 0.00 0.55 -1.00 -2.82 1.57 -1.64 -2.83 116.57 110.40 2crr h LYS 92 Ca 0.02 -0.12 0.37 0.00 -1.87 0.00 0.00 60.65 59.05 2crr h LYS 92 Cb 0.04 -0.08 -0.17 0.00 0.08 0.00 0.00 32.23 32.11 2crr h LYS 92 CO -0.10 0.57 0.53 0.00 -0.57 0.00 0.00 179.45 179.87 2crr h ALA 93 N 0.96 2.03 -0.05 3.86 0.00 -0.60 0.41 119.26 125.87 2crr h ALA 93 Ca 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2crr h ALA 93 Cb 0.24 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2crr h ALA 93 CO -0.00 -0.77 -0.08 -0.09 0.00 0.00 0.00 179.25 178.30 2crr h ARG 94 N 0.14 0.14 0.00 0.00 2.43 -0.62 0.51 114.38 116.98 2crr h ARG 94 Ca 0.79 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 2crr h ARG 94 Cb 1.95 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 2crr h ARG 94 CO -0.70 0.64 0.00 -0.07 -1.51 0.00 0.00 179.97 178.33 2crr h LEU 95 N -0.35 0.00 0.00 3.80 3.38 -0.29 0.25 115.31 122.10 2crr h LEU 95 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2crr h LEU 95 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2crr h LEU 95 CO 0.02 0.00 -0.27 -0.11 0.09 0.00 0.00 178.44 178.17 2crr n LEU 96 N -2.77 0.55 0.03 1.67 -0.00 0.98 -4.19 117.00 113.27 2crr n LEU 96 Ca -0.01 0.14 -0.13 0.00 -0.00 0.00 0.00 56.01 56.01 2crr n LEU 96 Cb 0.15 -0.58 -0.09 0.00 -0.00 0.00 0.00 43.42 42.90 2crr n LEU 96 CO 0.19 -0.44 0.57 1.88 -0.00 0.00 0.00 177.39 179.59 2crr h TYR 97 N -0.29 -0.10 -0.23 1.96 0.05 -0.06 -3.02 116.97 115.28 2crr h TYR 97 Ca 0.00 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 2crr h TYR 97 Cb 0.27 0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 2crr h TYR 97 CO -0.11 0.35 0.18 0.39 -1.05 0.00 0.00 178.16 177.92 2crr n GLU 98 N -4.91 1.35 -0.14 4.88 -0.58 0.83 -3.95 120.64 118.12 2crr n GLU 98 Ca -0.09 -0.73 -0.26 0.00 -0.42 0.00 0.00 57.16 55.66 2crr n GLU 98 Cb 0.26 -1.29 -0.11 0.00 -0.57 0.00 0.00 31.44 29.73 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr n ALA 99 N 0.59 1.28 0.36 0.62 0.00 -0.84 -4.39 120.51 118.13 2crr n ALA 99 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2crr n ALA 99 Cb 0.64 0.07 0.12 0.00 0.00 0.00 0.00 19.45 20.28 2crr n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2crr n ASN 100 N -3.96 2.68 -4.71 0.00 3.02 -1.25 -4.94 115.26 106.10 2crr n ASN 100 Ca -0.52 -2.34 -0.39 0.00 -0.03 0.00 0.00 54.58 51.30 2crr n ASN 100 Cb 0.92 -0.57 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 2crr n ASN 100 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crr n LEU 101 N 0.16 4.89 -4.76 3.41 4.77 -1.26 -4.81 117.00 119.40 2crr n LEU 101 Ca 0.11 0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 56.65 2crr n LEU 101 Cb 0.62 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.16 2crr n LEU 101 CO 0.12 -0.87 0.92 -2.16 -1.33 0.00 0.00 177.39 174.07 2crr s PRO 102 N -2.75 4.45 0.41 3.23 0.04 -1.26 -4.90 135.00 134.22 2crr s PRO 102 Ca 0.71 2.05 0.23 0.00 0.04 0.00 0.00 61.00 64.03 2crr s PRO 102 Cb -0.43 -3.14 1.23 0.00 0.04 0.00 0.00 34.50 32.20 2crr s PRO 102 CO 0.50 -0.08 1.70 1.05 0.04 0.00 0.00 177.00 180.21 2crr h GLU 103 N 3.97 0.25 -0.96 4.56 4.11 -2.00 0.71 114.58 125.22 2crr h GLU 103 Ca -0.47 -0.02 -0.63 0.00 0.07 0.00 0.00 59.36 58.31 2crr h GLU 103 Cb 1.22 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 2crr h GLU 103 CO 0.68 0.17 0.66 0.27 0.07 0.00 0.00 179.01 180.86 2crr n ASN 104 N -4.69 6.77 -4.76 3.06 0.23 -1.26 -5.01 115.26 109.59 2crr n ASN 104 Ca 0.31 -3.76 -0.39 0.00 -0.53 0.00 0.00 54.58 50.20 2crr n ASN 104 Cb 1.11 -0.89 0.01 0.00 -2.08 0.00 0.00 39.78 37.93 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2crr s PHE 105 N -3.72 2.65 -0.27 -2.53 5.36 0.25 -5.02 117.98 114.70 2crr s PHE 105 Ca 0.62 1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 57.97 2crr s PHE 105 Cb 0.49 -3.71 0.15 0.00 -0.34 0.00 0.00 43.02 39.61 2crr s PHE 105 CO 0.01 -2.35 0.42 0.50 -1.46 0.00 0.00 175.22 172.34 2crr s ARG 106 N -2.46 0.40 -0.47 10.12 3.52 -1.26 -5.04 118.95 123.76 2crr s ARG 106 Ca 0.61 0.45 -0.46 0.00 -0.13 0.00 0.00 55.73 56.21 2crr s ARG 106 Cb -0.39 -0.27 -0.19 0.00 -1.56 0.00 0.00 34.95 32.54 2crr s ARG 106 CO 0.49 -0.79 1.64 0.54 -0.81 0.00 0.00 175.30 176.37 2crr n ARG 107 N 5.37 0.17 -2.19 5.12 1.74 -1.26 -4.83 116.66 120.77 2crr n ARG 107 Ca -0.02 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2crr n ARG 107 Cb 0.50 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2crr n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2crr s PRO 108 N 3.18 4.30 -0.12 5.56 0.04 -1.26 -4.93 135.00 141.76 2crr s PRO 108 Ca 1.05 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 64.04 2crr s PRO 108 Cb -1.44 -3.43 -0.26 0.00 0.04 0.00 0.00 34.50 29.41 2crr s PRO 108 CO 0.79 -0.51 0.35 1.04 0.04 0.00 0.00 177.00 178.71 2crr n GLN 109 N 4.73 0.75 -2.19 4.56 1.13 -1.26 -4.67 117.38 120.43 2crr n GLN 109 Ca 0.12 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 55.05 2crr n GLN 109 Cb 0.43 -1.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2crr s THR 110 N -2.55 2.88 0.04 5.09 -4.23 -1.26 -4.89 115.64 110.72 2crr s THR 110 Ca -0.23 0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 60.93 2crr s THR 110 Cb 0.07 -3.57 -0.14 0.00 1.34 0.00 0.00 72.50 70.20 2crr s THR 110 CO 0.76 0.21 1.37 0.44 -0.54 0.00 0.00 174.62 176.86 2crr h ASP 111 N 3.47 -0.75 -1.72 3.99 3.32 -1.99 -0.06 116.42 122.68 2crr h ASP 111 Ca -0.48 0.03 0.50 0.00 0.02 0.00 0.00 57.03 57.09 2crr h ASP 111 Cb 1.22 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.90 2crr h ASP 111 CO 0.66 -0.54 1.23 0.00 -1.72 0.00 0.00 179.24 178.88 2crr n GLN 112 N -4.38 -0.00 -0.09 3.56 0.00 -1.26 0.89 117.38 116.10 2crr n GLN 112 Ca -0.11 0.94 -0.18 0.00 0.00 0.00 0.00 57.00 57.65 2crr n GLN 112 Cb 0.35 -2.17 -0.12 0.00 0.00 0.00 0.00 30.24 28.30 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2crr h ALA 113 N 0.87 0.14 -0.27 2.61 0.00 -1.83 -3.36 119.26 117.42 2crr h ALA 113 Ca 0.82 -0.87 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2crr h ALA 113 Cb 3.28 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 21.41 2crr h ALA 113 CO -0.01 0.39 -0.43 0.28 0.00 0.00 0.00 179.25 179.48 2crr h VAL 114 N -1.00 0.13 -0.98 0.00 2.07 0.24 0.31 116.25 117.02 2crr h VAL 114 Ca -0.19 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.55 2crr h VAL 114 Cb 1.13 0.13 -0.19 0.00 -1.52 0.00 0.00 31.29 30.84 2crr h VAL 114 CO -0.11 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 176.97 2crr h GLU 115 N -0.41 0.00 0.42 1.57 5.08 -1.47 -0.81 114.58 118.96 2crr h GLU 115 Ca 0.10 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2crr h GLU 115 Cb 0.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2crr h GLU 115 CO -0.49 0.00 -0.20 0.74 -1.00 0.00 0.00 179.01 178.07 2crr h PHE 116 N 0.00 -0.52 -0.69 4.33 0.04 -1.37 -1.29 116.94 117.45 2crr h PHE 116 Ca 0.50 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 61.44 2crr h PHE 116 Cb 0.85 0.17 -0.13 0.00 2.20 0.00 0.00 35.95 39.04 2crr h PHE 116 CO -0.69 -0.32 -0.03 0.34 -0.60 0.00 0.00 178.31 177.00 2crr n PHE 117 N -4.33 0.39 -0.04 -0.55 7.35 -0.02 0.15 117.46 120.41 2crr n PHE 117 Ca -0.07 0.84 -0.15 0.00 -0.76 0.00 0.00 57.45 57.31 2crr n PHE 117 Cb 0.22 -0.99 -0.09 0.00 0.35 0.00 0.00 39.48 38.98 2crr n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2crr h ILE 118 N 0.00 1.40 0.68 -2.13 2.04 -1.22 -1.73 117.51 116.56 2crr h ILE 118 Ca 0.40 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 2crr h ILE 118 Cb 0.77 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2crr h ILE 118 CO -0.67 0.48 -0.41 0.03 0.00 0.00 0.00 178.15 177.59 2crr h ARG 119 N -0.07 -0.99 0.00 2.37 3.08 0.27 0.34 114.38 119.37 2crr h ARG 119 Ca -0.01 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2crr h ARG 119 Cb 0.94 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2crr h ARG 119 CO 0.07 -0.66 0.00 -0.44 -1.07 0.00 0.00 179.97 177.87 2crr h ASP 120 N -1.03 0.00 0.09 7.04 3.32 -0.20 2.05 116.42 127.69 2crr h ASP 120 Ca -0.09 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 2crr h ASP 120 Cb 0.83 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2crr h ASP 120 CO 0.09 0.00 -0.65 0.50 -1.72 0.00 0.00 179.24 177.47 2crr h LYS 121 N 0.00 0.20 0.00 3.56 3.64 -0.54 0.14 116.57 123.57 2crr h LYS 121 Ca 0.00 -0.33 -0.33 0.00 -1.27 0.00 0.00 60.65 58.71 2crr h LYS 121 Cb 0.21 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2crr h LYS 121 CO 0.00 1.16 -2.09 0.66 -2.27 0.00 0.00 179.45 176.91 2crr n TYR 122 N -4.26 0.00 0.15 1.91 4.02 0.11 -3.20 117.16 115.88 2crr n TYR 122 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.65 2crr n TYR 122 Cb 0.72 -0.84 -0.06 0.00 -0.02 0.00 0.00 39.34 39.15 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crr h GLU 123 N -0.97 -0.52 0.00 -0.72 4.81 0.31 -2.79 114.58 114.71 2crr h GLU 123 Ca -0.50 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2crr h GLU 123 Cb 1.43 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.93 2crr h GLU 123 CO -0.30 -0.35 0.00 0.87 -0.73 0.00 0.00 179.01 178.50 2crr h LYS 124 N -0.54 0.00 -3.65 1.92 1.57 -1.36 -3.47 116.57 111.03 2crr h LYS 124 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 2crr h LYS 124 Cb 0.48 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.83 2crr h LYS 124 CO -0.06 0.00 -0.51 1.63 -0.57 0.00 0.00 179.45 179.94 2crr n LYS 125 N -3.10 -3.72 0.18 3.15 4.76 -1.03 -4.93 118.16 113.47 2crr n LYS 125 Ca 0.03 0.80 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 2crr n LYS 125 Cb 0.46 -5.38 -0.05 0.00 -1.84 0.00 0.00 35.03 28.21 2crr n LYS 125 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2crr h LYS 126 N -0.98 -0.56 -1.57 1.97 1.57 -0.81 -2.52 116.57 113.68 2crr h LYS 126 Ca -0.45 0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 2crr h LYS 126 Cb 1.32 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.68 2crr h LYS 126 CO 0.49 -0.37 0.19 0.66 -0.57 0.00 0.00 179.45 179.85 2crr n TYR 127 N -4.00 0.74 -3.60 -1.35 4.02 -1.26 -4.85 117.16 106.86 2crr n TYR 127 Ca -0.07 -1.30 -0.38 0.00 -0.01 0.00 0.00 57.90 56.14 2crr n TYR 127 Cb 0.26 -0.64 -0.11 0.00 -0.02 0.00 0.00 39.34 38.83 2crr n TYR 127 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2crr s TYR 128 N -0.85 3.23 -0.54 -0.72 5.04 -0.95 -4.11 117.35 118.46 2crr s TYR 128 Ca 0.15 0.14 -0.19 0.00 -2.44 0.00 0.00 57.07 54.72 2crr s TYR 128 Cb 0.12 -2.37 0.07 0.00 0.35 0.00 0.00 41.96 40.13 2crr s TYR 128 CO 0.00 -0.13 0.67 0.34 -1.34 0.00 0.00 175.55 175.09 2crr s ASP 129 N 1.66 6.21 0.06 4.32 -1.08 -1.15 -4.90 116.67 121.79 2crr s ASP 129 Ca 0.07 -1.05 -0.15 0.00 -0.52 0.00 0.00 52.55 50.90 2crr s ASP 129 Cb -0.16 -2.30 -0.28 0.00 -1.46 0.00 0.00 42.92 38.72 2crr s ASP 129 CO 0.10 -0.98 1.12 0.07 0.52 0.00 0.00 175.17 176.00 2crr h LYS 130 N 9.08 0.64 -0.92 4.34 2.10 -1.97 -3.31 116.57 126.54 2crr h LYS 130 Ca -0.28 -0.83 0.26 0.00 -2.00 0.00 0.00 60.65 57.80 2crr h LYS 130 Cb 1.09 0.27 -0.17 0.00 -0.90 0.00 0.00 32.23 32.52 2crr h LYS 130 CO 1.01 1.38 0.03 0.09 -2.00 0.00 0.00 179.45 179.96 2crr n ASN 131 N -3.80 -0.09 -0.27 7.07 3.02 -1.26 0.29 115.26 120.21 2crr n ASN 131 Ca -0.13 1.56 0.14 0.00 -0.03 0.00 0.00 54.58 56.11 2crr n ASN 131 Cb 0.97 -0.57 0.27 0.00 -0.61 0.00 0.00 39.78 39.84 2crr n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2crr n ALA 132 N -3.17 0.47 -3.84 5.41 0.00 -1.25 -4.73 120.51 113.40 2crr n ALA 132 Ca 0.22 0.85 -0.26 0.00 0.00 0.00 0.00 53.44 54.25 2crr n ALA 132 Cb 0.72 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2crr n ALA 132 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2crr n ILE 133 N -5.08 -1.20 -2.41 0.00 2.08 0.14 -4.90 119.36 108.00 2crr n ILE 133 Ca 0.20 -0.36 -0.25 0.00 0.56 0.00 0.00 62.75 62.90 2crr n ILE 133 Cb 0.67 -1.07 0.13 0.00 -0.75 0.00 0.00 39.64 38.63 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr s ALA 134 N -3.97 3.30 -0.27 -1.39 0.00 -1.26 -5.07 121.76 113.10 2crr s ALA 134 Ca 0.17 -1.60 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 2crr s ALA 134 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2crr s ALA 134 CO 0.66 -1.75 0.13 -1.50 0.00 0.00 0.00 175.76 173.30 2crr s ILE 135 N -3.35 4.75 -0.06 0.00 1.10 -1.26 -4.97 121.20 117.40 2crr s ILE 135 Ca 0.69 -0.04 -0.07 0.00 -0.51 0.00 0.00 60.65 60.71 2crr s ILE 135 Cb -0.05 -3.25 -0.02 0.00 0.15 0.00 0.00 42.46 39.29 2crr s ILE 135 CO 0.47 0.28 -0.14 -0.24 -2.11 0.00 0.00 174.94 173.21 2crr n SER 136 N 4.99 0.87 0.00 4.50 2.88 -1.26 -4.97 113.62 120.63 2crr n SER 136 Ca -0.15 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2crr n SER 136 Cb 0.52 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2crr n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crr n GLY 137 N 1.91 1.55 0.00 0.46 0.00 -1.26 -4.72 105.19 103.13 2crr n GLY 137 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2crr n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crr n PRO 138 N 0.00 0.49 -4.00 1.61 -0.04 -1.26 -4.74 135.00 127.06 2crr n PRO 138 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2crr n PRO 138 Cb 0.00 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2crr n PRO 138 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2crr s SER 139 N -1.51 5.15 -0.64 3.54 0.01 -1.26 -5.03 113.70 113.96 2crr s SER 139 Ca 0.00 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2crr s SER 139 Cb 0.00 -1.02 0.42 0.00 0.21 0.00 0.00 66.02 65.62 2crr s SER 139 CO 0.00 -0.22 1.80 -0.24 0.41 0.00 0.00 173.24 174.99 2crr n SER 140 N -1.23 6.89 0.00 2.44 2.88 -1.26 -4.97 113.62 118.37 2crr n SER 140 Ca -0.04 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 2crr n SER 140 Cb 0.59 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2crr n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42