#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr s SER 2 N 0.00 6.32 -0.23 1.61 0.01 -1.26 -5.10 113.70 115.05 2crr s SER 2 Ca 0.00 0.18 -0.07 0.00 1.31 0.00 0.00 55.95 57.37 2crr s SER 2 Cb 0.00 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 2crr s SER 2 CO 0.00 -0.12 0.06 -0.44 0.41 0.00 0.00 173.24 173.15 2crr s SER 3 N -3.94 5.24 0.00 2.44 0.01 -1.26 -5.03 113.70 111.16 2crr s SER 3 Ca 0.36 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2crr s SER 3 Cb -0.09 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2crr s SER 3 CO 0.31 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2crr n GLY 4 N 4.55 0.22 2.88 3.44 0.00 -1.26 -5.14 105.19 109.87 2crr n GLY 4 Ca -0.16 0.69 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 2crr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crr s SER 5 N 0.00 3.55 0.30 1.61 0.01 -1.26 -5.12 113.70 112.79 2crr s SER 5 Ca 0.00 -1.06 0.05 0.00 1.31 0.00 0.00 55.95 56.25 2crr s SER 5 Cb 0.00 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.20 2crr s SER 5 CO 0.00 -0.26 0.22 -0.94 0.41 0.00 0.00 173.24 172.67 2crr s SER 6 N 1.54 1.39 0.00 2.44 1.04 -1.26 -5.01 113.70 113.84 2crr s SER 6 Ca -0.04 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.75 2crr s SER 6 Cb -0.18 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2crr s SER 6 CO -0.07 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2crr n GLY 7 N -0.56 -0.17 1.65 7.32 0.00 -1.26 -4.92 105.19 107.25 2crr n GLY 7 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2crr n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crr n LYS 8 N -0.98 1.29 -1.54 1.61 5.02 -1.26 -4.38 118.16 117.91 2crr n LYS 8 Ca 0.00 -0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 55.56 2crr n LYS 8 Cb 0.48 -1.26 0.06 0.00 -0.02 0.00 0.00 35.03 34.29 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2crr n ALA 9 N 1.51 6.14 -0.05 7.82 0.00 -1.26 -4.63 120.51 130.05 2crr n ALA 9 Ca 0.11 -3.63 -0.03 0.00 0.00 0.00 0.00 53.44 49.89 2crr n ALA 9 Cb 0.58 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 2.17 0.00 -0.67 0.00 4.20 -1.93 -3.33 115.11 115.56 2crr h GLN 10 Ca 0.56 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.37 2crr h GLN 10 Cb 0.82 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.48 2crr h GLN 10 CO 1.44 0.00 -0.41 -0.22 -0.67 0.00 0.00 178.83 178.96 2crr h LYS 11 N -0.83 -0.16 -0.65 1.46 1.63 -1.98 -0.68 116.57 115.36 2crr h LYS 11 Ca 0.00 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.91 2crr h LYS 11 Cb 0.34 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 31.89 2crr h LYS 11 CO 0.00 -0.11 -0.39 1.25 -3.45 0.00 0.00 179.45 176.75 2crr h LEU 12 N -0.17 -1.37 -8.64 5.20 5.85 -1.88 -3.35 115.31 110.95 2crr h LEU 12 Ca 0.22 0.25 -0.48 0.00 0.84 0.00 0.00 57.88 58.70 2crr h LEU 12 Cb 0.56 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2crr h LEU 12 CO -0.75 -0.31 1.57 0.20 -0.34 0.00 0.00 178.44 178.81 2crr s ASN 13 N -5.20 4.69 -0.40 1.25 -0.87 -0.26 -4.83 114.94 109.33 2crr s ASN 13 Ca -0.14 1.06 -0.03 0.00 -1.57 0.00 0.00 52.86 52.18 2crr s ASN 13 Cb 0.15 -2.51 0.10 0.00 -0.02 0.00 0.00 41.25 38.97 2crr s ASN 13 CO 0.68 -2.69 2.59 1.21 -2.57 0.00 0.00 177.10 176.32 2crr n GLU 14 N 9.00 2.21 -3.73 -0.60 2.13 -1.26 -4.78 120.64 123.61 2crr n GLU 14 Ca 0.33 -2.06 -0.35 0.00 0.66 0.00 0.00 57.16 55.73 2crr n GLU 14 Cb 0.53 -1.98 -0.10 0.00 0.27 0.00 0.00 31.44 30.16 2crr n GLU 14 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2crr s GLN 15 N -1.64 2.62 0.18 5.31 1.11 -1.26 -4.95 119.66 121.02 2crr s GLN 15 Ca 0.51 -2.69 -0.18 0.00 0.01 0.00 0.00 55.36 53.01 2crr s GLN 15 Cb 0.34 -3.72 0.14 0.00 -1.01 0.00 0.00 33.01 28.76 2crr s GLN 15 CO -0.15 -1.19 1.62 0.45 0.01 0.00 0.00 175.29 176.04 2crr h HIS 16 N 6.75 -0.52 0.69 0.91 3.86 -1.97 0.25 115.15 125.12 2crr h HIS 16 Ca 0.01 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2crr h HIS 16 Cb 0.92 0.31 0.01 0.00 1.06 0.00 0.00 27.41 29.70 2crr h HIS 16 CO 0.70 -0.29 -0.33 1.96 0.86 0.00 0.00 177.93 180.82 2crr h GLN 17 N -0.10 -0.89 -0.56 2.45 1.08 -1.92 -1.95 115.11 113.21 2crr h GLN 17 Ca 0.23 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.57 2crr h GLN 17 Cb 0.46 0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.99 2crr h GLN 17 CO -0.55 -0.60 -0.43 1.25 -0.95 0.00 0.00 178.83 177.55 2crr h LEU 18 N -0.95 -1.49 -0.47 1.46 5.85 -1.92 -0.97 115.31 116.83 2crr h LEU 18 Ca -0.09 0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.96 2crr h LEU 18 Cb 0.71 0.67 -0.10 0.00 0.37 0.00 0.00 40.66 42.31 2crr h LEU 18 CO 0.16 -0.34 -0.31 0.40 -0.34 0.00 0.00 178.44 178.01 2crr h ILE 19 N -0.24 0.23 -0.91 4.05 2.04 -0.51 0.36 117.51 122.54 2crr h ILE 19 Ca 0.17 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.29 2crr h ILE 19 Cb 0.56 0.23 -0.15 0.00 -0.74 0.00 0.00 36.82 36.72 2crr h ILE 19 CO -0.67 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 177.64 2crr h LEU 20 N -0.20 -0.03 -0.76 1.44 3.38 -0.37 0.63 115.31 119.40 2crr h LEU 20 Ca 0.20 0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 2crr h LEU 20 Cb 0.53 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2crr h LEU 20 CO -0.58 -0.21 0.07 0.28 0.09 0.00 0.00 178.44 178.09 2crr h SER 21 N 0.17 0.98 -0.54 -0.43 0.02 -0.59 -2.67 113.55 110.48 2crr h SER 21 Ca 0.59 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2crr h SER 21 Cb 1.24 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2crr h SER 21 CO -0.70 0.99 0.25 0.11 -1.14 0.00 0.00 176.83 176.34 2crr h LYS 22 N 0.95 0.83 -0.31 3.45 6.56 0.92 -2.09 116.57 126.88 2crr h LYS 22 Ca 0.18 -0.12 -0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2crr h LYS 22 Cb 0.45 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2crr h LYS 22 CO 0.02 0.67 0.03 -0.07 -2.06 0.00 0.00 179.45 178.03 2crr h LEU 23 N 0.82 0.51 -0.25 2.94 3.38 -0.87 -3.13 115.31 118.71 2crr h LEU 23 Ca 0.20 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2crr h LEU 23 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2crr h LEU 23 CO -0.02 0.66 0.16 -0.07 0.09 0.00 0.00 178.44 179.26 2crr h LEU 24 N 0.33 0.27 -1.02 1.67 3.38 -1.18 -2.41 115.31 116.36 2crr h LEU 24 Ca 0.09 -0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.39 2crr h LEU 24 Cb 0.38 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.92 2crr h LEU 24 CO 0.01 0.20 0.58 0.03 0.09 0.00 0.00 178.44 179.34 2crr h ARG 25 N 0.33 0.28 -6.78 1.13 3.08 -1.33 -3.18 114.38 107.91 2crr h ARG 25 Ca 0.10 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.58 2crr h ARG 25 Cb -0.02 -0.06 0.10 0.00 0.08 0.00 0.00 29.97 30.06 2crr h ARG 25 CO -0.03 0.19 0.72 0.39 -1.07 0.00 0.00 179.97 180.16 2crr n GLU 26 N -5.06 2.44 -0.16 0.04 -0.58 -0.91 -4.75 120.64 111.66 2crr n GLU 26 Ca 0.32 0.86 0.20 0.00 -0.42 0.00 0.00 57.16 58.12 2crr n GLU 26 Cb 1.03 -2.56 0.58 0.00 -0.57 0.00 0.00 31.44 29.91 2crr n GLU 26 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2crr h GLU 27 N 3.75 0.25 0.00 3.49 4.81 -1.87 0.39 114.58 125.41 2crr h GLU 27 Ca -0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2crr h GLU 27 Cb 1.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2crr h GLU 27 CO 0.71 0.17 -0.05 0.38 -0.73 0.00 0.00 179.01 179.49 2crr h ASP 28 N 0.26 0.00 0.00 1.04 3.04 -1.89 -2.27 116.42 116.60 2crr h ASP 28 Ca 0.39 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.15 2crr h ASP 28 Cb 1.13 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.36 2crr h ASP 28 CO -0.10 0.05 -0.50 0.59 -2.04 0.00 0.00 179.24 177.24 2crr n ASN 29 N -3.79 1.66 0.11 4.15 3.02 0.13 -4.46 115.26 116.08 2crr n ASN 29 Ca -0.03 -3.46 0.03 0.00 -0.03 0.00 0.00 54.58 51.09 2crr n ASN 29 Cb 0.14 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.82 0.00 -5.04 3.52 1.79 -0.59 -3.41 116.57 113.66 2crr h LYS 30 Ca -0.03 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.12 2crr h LYS 30 Cb 1.14 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.63 2crr h LYS 30 CO 0.01 0.40 -0.72 0.71 -1.08 0.00 0.00 179.45 178.77 2crr s TYR 31 N -2.98 1.20 1.00 -1.35 1.51 -1.26 -3.67 117.35 111.80 2crr s TYR 31 Ca 0.02 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.18 2crr s TYR 31 Cb 0.08 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 2crr s TYR 31 CO 0.76 0.05 -0.32 0.00 -1.11 0.00 0.00 175.55 174.93 2crr n ALA 33 N -3.36 2.44 0.07 0.00 0.00 -1.00 -3.16 120.51 115.49 2crr n ALA 33 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2crr n ALA 33 Cb 0.59 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.15 0.11 -1.08 0.00 8.00 -1.26 -4.86 116.55 118.61 2crr n ASP 34 Ca 0.19 0.23 0.12 0.00 0.71 0.00 0.00 54.79 56.04 2crr n ASP 34 Cb 0.51 0.12 0.18 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.43 -2.24 -0.41 0.00 -0.58 -1.19 -4.81 120.64 112.84 2crr n GLU 36 Ca 0.17 0.25 -0.26 0.00 -0.42 0.00 0.00 57.16 56.91 2crr n GLU 36 Cb 0.60 -4.89 0.23 0.00 -0.57 0.00 0.00 31.44 26.81 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr n ALA 37 N -3.80 -3.20 -3.49 0.62 0.00 -1.26 -4.25 120.51 105.13 2crr n ALA 37 Ca 0.06 -1.47 -0.42 0.00 0.00 0.00 0.00 53.44 51.61 2crr n ALA 37 Cb 0.49 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2crr n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crr s LYS 38 N -4.24 2.76 0.00 0.00 1.02 -1.26 -3.04 119.74 114.98 2crr s LYS 38 Ca 0.55 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2crr s LYS 38 Cb -0.11 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.14 2crr s LYS 38 CO 0.50 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 2crr n GLY 39 N 4.66 0.79 3.57 -3.33 0.00 -1.24 -5.00 105.19 104.63 2crr n GLY 39 Ca -0.04 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.58 2.53 0.00 1.61 0.04 -1.26 -4.84 135.00 131.50 2crr s PRO 40 Ca 0.00 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2crr s PRO 40 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2crr s PRO 40 CO 0.00 -3.58 0.54 -2.13 0.04 0.00 0.00 177.00 171.87 2crr n ARG 41 N 8.67 0.00 -0.67 4.56 3.00 -1.26 -4.62 116.66 126.34 2crr n ARG 41 Ca 0.42 0.23 -0.31 0.00 -0.00 0.00 0.00 57.85 58.19 2crr n ARG 41 Cb 0.47 -1.10 0.16 0.00 0.00 0.00 0.00 32.46 31.99 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 -1.20 -1.55 -3.55 -0.14 7.02 -1.09 -4.63 117.44 112.29 2crr n TRP 42 Ca 0.00 0.16 -0.01 0.00 -1.02 0.00 0.00 57.50 56.63 2crr n TRP 42 Cb 0.00 -1.51 -0.05 0.00 -2.42 0.00 0.00 31.31 27.33 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 -2.19 -2.31 -0.59 6.99 0.00 -1.24 -2.07 121.76 120.35 2crr s ALA 43 Ca 0.52 2.23 -0.28 0.00 0.00 0.00 0.00 51.96 54.42 2crr s ALA 43 Cb -0.09 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.22 2crr s ALA 43 CO 0.61 -0.82 1.29 0.45 0.00 0.00 0.00 175.76 177.29 2crr s SER 44 N 2.43 6.30 0.05 0.00 0.15 0.14 -4.34 113.70 118.43 2crr s SER 44 Ca -0.05 0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 2crr s SER 44 Cb -0.08 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.55 2crr s SER 44 CO -0.18 -1.60 1.46 4.11 1.20 0.00 0.00 173.24 178.23 2crr h TRP 45 N 10.16 0.27 -0.99 3.44 5.08 -1.83 0.35 115.95 132.43 2crr h TRP 45 Ca -0.26 -0.05 0.29 0.00 1.08 0.00 0.00 58.89 59.95 2crr h TRP 45 Cb 1.07 -0.07 -0.18 0.00 -3.00 0.00 0.00 29.16 26.98 2crr h TRP 45 CO 1.05 0.50 0.08 -1.71 -1.28 0.00 0.00 178.44 177.08 2crr n ASN 46 N -4.75 -0.06 -0.10 0.11 5.15 -1.26 -1.74 115.26 112.61 2crr n ASN 46 Ca -0.06 1.68 -0.22 0.00 -0.60 0.00 0.00 54.58 55.39 2crr n ASN 46 Cb 0.23 -0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 38.72 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 0.91 0.00 -1.44 2.04 -1.88 -3.49 117.51 113.65 2crr h ILE 47 Ca 0.63 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2crr h ILE 47 Cb 1.36 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 2crr h ILE 47 CO -0.91 0.35 0.00 0.61 0.00 0.00 0.00 178.15 178.20 2crr n GLY 48 N 1.47 0.86 3.17 5.37 0.00 0.12 -4.77 105.19 111.42 2crr n GLY 48 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.38 0.08 -0.12 1.61 -7.23 -0.95 -0.59 120.40 111.81 2crr s VAL 49 Ca 0.00 -0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 2crr s VAL 49 Cb 0.00 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 2crr s VAL 49 CO 0.00 -0.37 0.62 -0.36 -0.31 0.00 0.00 175.10 174.67 2crr s PHE 50 N -1.73 3.50 0.10 2.82 0.40 -1.26 -0.68 117.98 121.12 2crr s PHE 50 Ca -0.11 1.05 0.04 0.00 -0.60 0.00 0.00 56.93 57.31 2crr s PHE 50 Cb -0.05 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2crr s PHE 50 CO 0.01 0.03 -0.11 0.96 0.70 0.00 0.00 175.22 176.81 2crr s ILE 51 N 1.09 0.98 0.83 0.64 -4.36 -0.88 -2.39 121.20 117.11 2crr s ILE 51 Ca 0.32 -1.60 -0.14 0.00 -0.26 0.00 0.00 60.65 58.97 2crr s ILE 51 Cb -0.16 -1.32 0.20 0.00 1.25 0.00 0.00 42.46 42.43 2crr s ILE 51 CO 0.13 -0.51 0.79 0.00 0.24 0.00 0.00 174.94 175.60 2crr h ILE 53 N -2.23 1.39 -0.21 0.00 6.09 -1.94 -2.26 117.51 118.34 2crr h ILE 53 Ca -0.29 -2.39 0.01 0.00 -1.37 0.00 0.00 64.86 60.82 2crr h ILE 53 Cb 0.87 2.38 -0.02 0.00 0.47 0.00 0.00 36.82 40.52 2crr h ILE 53 CO 0.19 0.72 0.10 -0.09 -3.07 0.00 0.00 178.15 176.01 2crr h ARG 54 N 0.26 0.22 -0.26 2.19 1.12 -2.02 -2.89 114.38 112.99 2crr h ARG 54 Ca -0.08 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.66 2crr h ARG 54 Cb 1.56 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.46 2crr h ARG 54 CO 0.16 0.14 -0.28 0.00 -3.11 0.00 0.00 179.97 176.88 2crr h ALA 56 N 0.68 0.76 -0.88 0.00 0.00 -1.21 0.47 119.26 119.08 2crr h ALA 56 Ca 0.04 0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.41 2crr h ALA 56 Cb 0.85 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 2crr h ALA 56 CO 0.07 -0.44 0.50 0.78 0.00 0.00 0.00 179.25 180.16 2crr h GLY 57 N 0.02 1.44 1.00 0.00 0.00 -1.52 -1.30 103.07 102.71 2crr h GLY 57 Ca 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2crr h GLY 57 CO -0.88 0.04 0.26 -2.22 0.00 0.00 0.00 176.54 173.75 2crr h ILE 58 N 0.75 1.23 -0.23 2.60 2.04 -0.20 -2.97 117.51 120.73 2crr h ILE 58 Ca 0.46 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2crr h ILE 58 Cb 0.56 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2crr h ILE 58 CO -0.31 0.28 -0.02 0.45 0.00 0.00 0.00 178.15 178.55 2crr h HIS 59 N 0.89 -0.05 -0.63 1.37 3.86 -0.67 -2.31 115.15 117.61 2crr h HIS 59 Ca 0.21 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.57 2crr h HIS 59 Cb 0.19 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 28.62 2crr h HIS 59 CO 0.01 -0.06 0.05 0.00 0.86 0.00 0.00 177.93 178.79 2crr h ARG 60 N 0.05 0.16 -0.14 2.45 3.08 -1.29 -1.50 114.38 117.18 2crr h ARG 60 Ca 0.11 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2crr h ARG 60 Cb 0.15 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2crr h ARG 60 CO -0.20 0.10 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.71 2crr h ASN 61 N 0.16 -0.54 -0.70 7.04 2.35 -1.33 -2.51 115.58 120.05 2crr h ASN 61 Ca 0.34 0.10 0.12 0.00 -0.55 0.00 0.00 56.30 56.30 2crr h ASN 61 Cb 0.54 0.26 -0.12 0.00 0.05 0.00 0.00 38.32 39.05 2crr h ASN 61 CO -0.51 -0.22 -0.23 0.18 -1.65 0.00 0.00 177.43 175.00 2crr n LEU 62 N -5.32 -0.37 0.00 1.61 4.77 -0.57 -4.86 117.00 112.26 2crr n LEU 62 Ca -0.03 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 2crr n LEU 62 Cb 0.23 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2crr n LEU 62 CO 0.20 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 175.76 2crr n GLY 63 N -1.37 4.13 0.28 -0.72 0.00 -0.94 -4.71 105.19 101.86 2crr n GLY 63 Ca 0.09 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 1.90 0.85 0.00 1.61 -1.51 -1.80 0.16 116.25 117.45 2crr h VAL 64 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 2crr h VAL 64 Cb 0.00 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2crr h VAL 64 CO 0.00 0.00 -0.64 1.12 -1.23 0.00 0.00 177.57 176.82 2crr h HIS 65 N 0.00 0.00 0.00 5.19 -0.00 -1.98 -3.35 115.15 115.01 2crr h HIS 65 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2crr h HIS 65 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2crr h HIS 65 CO 0.00 0.64 -0.42 0.82 -0.00 0.00 0.00 177.93 178.97 2crr h ILE 66 N 0.00 0.16 -3.50 6.12 2.04 -1.37 -3.50 117.51 117.46 2crr h ILE 66 Ca -0.01 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 2crr h ILE 66 Cb 1.18 0.35 -0.11 0.00 -0.74 0.00 0.00 36.82 37.50 2crr h ILE 66 CO 0.08 0.05 -0.10 -0.55 0.00 0.00 0.00 178.15 177.63 2crr s SER 67 N -5.81 -0.16 0.39 1.72 0.15 0.38 -4.95 113.70 105.42 2crr s SER 67 Ca -0.12 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.05 2crr s SER 67 Cb 0.02 0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 64.76 2crr s SER 67 CO 0.21 -0.95 -0.01 -0.13 1.20 0.00 0.00 173.24 173.56 2crr s ARG 68 N -3.88 1.94 -0.11 5.44 1.81 -1.26 -3.79 118.95 119.10 2crr s ARG 68 Ca 0.10 -2.03 -0.06 0.00 -1.72 0.00 0.00 55.73 52.02 2crr s ARG 68 Cb 0.01 -1.69 0.05 0.00 -0.45 0.00 0.00 34.95 32.86 2crr s ARG 68 CO -0.04 0.01 0.26 0.08 -0.68 0.00 0.00 175.30 174.93 2crr s VAL 69 N -2.67 -0.04 0.04 3.52 1.01 -1.26 -4.53 120.40 116.48 2crr s VAL 69 Ca 0.35 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 2crr s VAL 69 Cb 0.07 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 36.14 2crr s VAL 69 CO 0.18 0.05 0.76 -1.59 0.00 0.00 0.00 175.10 174.51 2crr s LYS 70 N 1.19 1.01 1.33 2.72 -2.85 -1.26 -5.04 119.74 116.84 2crr s LYS 70 Ca -0.09 -0.28 -0.19 0.00 -1.00 0.00 0.00 55.97 54.42 2crr s LYS 70 Cb -0.10 0.47 0.34 0.00 -2.06 0.00 0.00 37.83 36.48 2crr s LYS 70 CO -0.08 -0.42 0.96 -1.12 0.10 0.00 0.00 175.35 174.79 2crr s SER 71 N -2.35 -0.34 -0.13 0.03 0.01 -1.26 -3.63 113.70 106.02 2crr s SER 71 Ca 0.01 1.12 0.02 0.00 1.31 0.00 0.00 55.95 58.41 2crr s SER 71 Cb -0.01 -1.67 -0.09 0.00 0.21 0.00 0.00 66.02 64.47 2crr s SER 71 CO -0.08 -4.96 -0.10 0.52 0.41 0.00 0.00 173.24 169.03 2crr n VAL 72 N -5.39 0.75 -0.06 3.43 0.31 -1.26 -4.56 118.33 111.55 2crr n VAL 72 Ca 0.08 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 64.03 2crr n VAL 72 Cb 0.58 -0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 2crr n VAL 72 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2crr n ASN 73 N -2.83 2.89 0.14 4.52 5.15 -1.26 -4.68 115.26 119.18 2crr n ASN 73 Ca -0.23 -0.05 -0.14 0.00 -0.60 0.00 0.00 54.58 53.56 2crr n ASN 73 Cb 0.76 0.01 -0.08 0.00 -0.53 0.00 0.00 39.78 39.94 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2crr h LEU 74 N 0.00 -0.23-10.40 1.20 3.38 -1.99 -3.44 115.31 103.83 2crr h LEU 74 Ca -0.28 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.19 2crr h LEU 74 Cb 1.49 0.06 0.05 0.00 0.09 0.00 0.00 40.66 42.34 2crr h LEU 74 CO -0.03 -0.13 0.09 -1.81 0.09 0.00 0.00 178.44 176.65 2crr s ASP 75 N -4.98 5.70 0.19 -0.43 1.01 -1.26 -5.06 116.67 111.83 2crr s ASP 75 Ca -0.14 0.60 -0.09 0.00 0.71 0.00 0.00 52.55 53.62 2crr s ASP 75 Cb 0.05 -1.69 -0.07 0.00 1.01 0.00 0.00 42.92 42.23 2crr s ASP 75 CO 0.64 -0.93 0.51 -1.58 0.21 0.00 0.00 175.17 174.02 2crr s GLN 76 N -4.85 3.79 0.33 8.23 2.00 -1.26 -4.71 119.66 123.19 2crr s GLN 76 Ca 0.52 0.23 0.07 0.00 -2.00 0.00 0.00 55.36 54.18 2crr s GLN 76 Cb -0.10 -2.75 -0.07 0.00 0.80 0.00 0.00 33.01 30.89 2crr s GLN 76 CO 0.43 0.39 -0.03 -1.58 -0.50 0.00 0.00 175.29 174.00 2crr s TRP 77 N -1.71 2.18 0.17 1.67 0.52 -1.26 -5.07 118.94 115.44 2crr s TRP 77 Ca 0.44 -0.70 0.07 0.00 0.02 0.00 0.00 56.10 55.93 2crr s TRP 77 Cb -0.12 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 2crr s TRP 77 CO 0.21 0.33 -0.15 0.95 0.02 0.00 0.00 176.95 178.31 2crr s THR 78 N -2.91 1.64 0.29 2.01 -4.23 -1.26 -5.02 115.64 106.16 2crr s THR 78 Ca 0.33 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 2crr s THR 78 Cb 0.06 -1.87 0.31 0.00 1.34 0.00 0.00 72.50 72.33 2crr s THR 78 CO 0.15 -0.49 1.65 0.00 -0.54 0.00 0.00 174.62 175.39 2crr h ALA 79 N 2.96 1.31 -0.38 3.99 0.00 -2.02 0.13 119.26 125.25 2crr h ALA 79 Ca -0.39 0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2crr h ALA 79 Cb 1.21 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2crr h ALA 79 CO 0.57 -0.45 -0.11 0.93 0.00 0.00 0.00 179.25 180.18 2crr h GLU 80 N 0.24 -0.02 -0.28 0.00 4.39 -2.00 0.16 114.58 117.07 2crr h GLU 80 Ca 0.56 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.18 2crr h GLU 80 Cb 1.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2crr h GLU 80 CO -0.63 -0.01 -0.11 1.96 -1.16 0.00 0.00 179.01 179.05 2crr h GLN 81 N -0.02 0.58 0.31 2.33 4.20 -1.26 -3.06 115.11 118.18 2crr h GLN 81 Ca 0.18 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2crr h GLN 81 Cb 0.30 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2crr h GLN 81 CO -0.40 0.80 -0.40 0.82 -0.67 0.00 0.00 178.83 178.98 2crr h ILE 82 N 0.32 0.19 -1.02 2.54 1.08 -0.33 -1.82 117.51 118.48 2crr h ILE 82 Ca 0.07 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.81 2crr h ILE 82 Cb 0.62 0.19 -0.13 0.00 -3.07 0.00 0.00 36.82 34.43 2crr h ILE 82 CO 0.04 0.00 0.61 -0.61 -0.69 0.00 0.00 178.15 177.50 2crr h GLN 83 N -0.76 0.45 -0.58 2.37 5.75 -0.75 0.28 115.11 121.87 2crr h GLN 83 Ca -0.02 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2crr h GLN 83 Cb 0.71 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 2crr h GLN 83 CO -0.12 0.30 0.25 0.00 -2.65 0.00 0.00 178.83 176.62 2crr h MET 85 N 0.80 -0.03 -0.11 0.00 2.86 0.17 0.33 114.93 118.96 2crr h MET 85 Ca 0.20 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2crr h MET 85 Cb 0.17 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2crr h MET 85 CO -0.02 -0.02 -0.16 1.96 1.06 0.00 0.00 176.91 179.74 2crr h GLN 86 N -0.03 0.30 0.37 1.72 7.50 -1.34 0.33 115.11 123.97 2crr h GLN 86 Ca 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2crr h GLN 86 Cb 0.29 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 2crr h GLN 86 CO -0.37 0.74 -0.39 -0.44 -1.50 0.00 0.00 178.83 176.87 2crr h ASP 87 N -0.13 -1.09 0.00 1.46 3.32 -0.49 -3.36 116.42 116.13 2crr h ASP 87 Ca 0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2crr h ASP 87 Cb 0.71 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2crr h ASP 87 CO 0.04 -0.51 0.00 0.80 -1.72 0.00 0.00 179.24 177.84 2crr n MET 88 N -4.78 0.00 -1.31 3.56 1.56 0.11 -4.91 117.12 111.35 2crr n MET 88 Ca -0.09 0.28 0.17 0.00 -0.27 0.00 0.00 57.70 57.79 2crr n MET 88 Cb 0.36 -0.92 -0.06 0.00 2.15 0.00 0.00 33.22 34.75 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 1.40 -2.33 0.23 -5.12 0.00 0.24 -3.58 105.19 96.02 2crr n GLY 89 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.25 0.83 -0.01 1.61 4.21 -1.81 -2.60 115.58 116.56 2crr h ASN 90 Ca -0.04 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 56.98 2crr h ASN 90 Cb 1.22 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.19 2crr h ASN 90 CO 0.03 1.15 -0.01 0.74 -1.29 0.00 0.00 177.43 178.05 2crr h THR 91 N 0.52 0.00 -0.62 2.81 2.02 -1.78 0.28 112.91 116.14 2crr h THR 91 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2crr h THR 91 Cb 0.94 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2crr h THR 91 CO 0.09 0.00 0.40 0.11 0.37 0.00 0.00 175.52 176.49 2crr h LYS 92 N -0.00 0.82 -1.02 6.66 1.57 -1.67 -2.37 116.57 120.56 2crr h LYS 92 Ca 0.00 -0.06 0.33 0.00 -1.87 0.00 0.00 60.65 59.06 2crr h LYS 92 Cb 0.01 -0.18 -0.15 0.00 0.08 0.00 0.00 32.23 31.99 2crr h LYS 92 CO -0.01 0.56 0.59 0.00 -0.57 0.00 0.00 179.45 180.01 2crr h ALA 93 N 1.22 2.02 -0.07 3.86 0.00 -0.86 0.36 119.26 125.79 2crr h ALA 93 Ca 0.23 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 2crr h ALA 93 Cb -0.08 0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2crr h ALA 93 CO -0.05 -0.63 -0.55 0.00 0.00 0.00 0.00 179.25 178.02 2crr h ARG 94 N 0.30 0.49 0.00 0.00 3.08 -0.46 0.28 114.38 118.07 2crr h ARG 94 Ca 0.74 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2crr h ARG 94 Cb 1.75 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.90 2crr h ARG 94 CO -0.60 1.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.66 2crr n LEU 95 N -4.22 0.00 0.00 3.04 4.77 0.91 -1.14 117.00 120.36 2crr n LEU 95 Ca -0.09 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2crr n LEU 95 Cb 0.63 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2crr n LEU 95 CO 0.47 -0.06 -0.16 -0.11 -1.33 0.00 0.00 177.39 176.19 2crr n LEU 96 N -1.16 0.96 -0.03 2.23 -0.00 0.82 -4.55 117.00 115.28 2crr n LEU 96 Ca 0.11 0.14 -0.15 0.00 -0.00 0.00 0.00 56.01 56.11 2crr n LEU 96 Cb 0.11 -0.38 -0.11 0.00 -0.00 0.00 0.00 43.42 43.04 2crr n LEU 96 CO 0.12 -0.56 0.43 1.88 -0.00 0.00 0.00 177.39 179.27 2crr h TYR 97 N -0.24 0.28 -0.31 1.96 0.05 -0.54 -2.69 116.97 115.48 2crr h TYR 97 Ca 0.00 -0.14 -0.19 0.00 0.05 0.00 0.00 58.73 58.45 2crr h TYR 97 Cb 0.24 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 37.85 2crr h TYR 97 CO -0.10 0.89 0.25 0.39 -1.05 0.00 0.00 178.16 178.54 2crr n GLU 98 N -4.52 1.47 -0.11 4.88 1.02 -0.29 -3.92 120.64 119.16 2crr n GLU 98 Ca -0.09 -0.99 -0.17 0.00 -0.02 0.00 0.00 57.16 55.88 2crr n GLU 98 Cb 0.48 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 99 N 0.42 1.50 0.02 0.62 0.00 -1.11 -4.42 120.51 117.53 2crr n ALA 99 Ca 0.19 -0.96 0.01 0.00 0.00 0.00 0.00 53.44 52.68 2crr n ALA 99 Cb 0.69 0.02 0.18 0.00 0.00 0.00 0.00 19.45 20.34 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 -3.32 3.39 -4.79 0.00 3.02 -1.24 -4.94 115.26 107.37 2crr n ASN 100 Ca -0.41 -2.53 -0.32 0.00 -0.03 0.00 0.00 54.58 51.29 2crr n ASN 100 Cb 0.91 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.50 2crr n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2crr s LEU 101 N -1.43 3.38 0.59 3.41 1.43 -1.26 -4.73 118.68 120.07 2crr s LEU 101 Ca 0.28 1.84 -0.17 0.00 -1.03 0.00 0.00 54.13 55.04 2crr s LEU 101 Cb 0.22 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 2crr s LEU 101 CO 0.08 -1.39 1.12 -2.16 0.23 0.00 0.00 176.35 174.22 2crr s PRO 102 N -4.28 3.11 0.32 1.29 0.04 -1.26 -4.93 135.00 129.29 2crr s PRO 102 Ca 0.63 1.51 0.05 0.00 0.04 0.00 0.00 61.00 63.24 2crr s PRO 102 Cb -0.17 -1.98 0.70 0.00 0.04 0.00 0.00 34.50 33.09 2crr s PRO 102 CO 0.42 -1.02 1.86 1.49 0.04 0.00 0.00 177.00 179.79 2crr h GLU 103 N 0.67 0.81 -0.95 4.56 4.81 -2.00 -0.76 114.58 121.72 2crr h GLU 103 Ca -0.49 -0.05 -0.64 0.00 -0.13 0.00 0.00 59.36 58.06 2crr h GLU 103 Cb 1.25 -0.18 -0.31 0.00 0.63 0.00 0.00 28.75 30.15 2crr h GLU 103 CO 0.56 0.53 0.60 0.27 -0.73 0.00 0.00 179.01 180.24 2crr n ASN 104 N -4.58 6.86 -4.78 1.04 0.23 -1.26 -5.01 115.26 107.76 2crr n ASN 104 Ca 0.17 -3.77 -0.41 0.00 -0.53 0.00 0.00 54.58 50.05 2crr n ASN 104 Cb 0.40 -0.87 -0.00 0.00 -2.08 0.00 0.00 39.78 37.23 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 -3.74 2.63 -0.16 -2.53 5.36 -0.29 -5.01 117.98 114.24 2crr s PHE 105 Ca 0.62 1.21 -0.04 0.00 -0.96 0.00 0.00 56.93 57.76 2crr s PHE 105 Cb 0.49 -3.97 0.08 0.00 -0.34 0.00 0.00 43.02 39.28 2crr s PHE 105 CO 0.01 -2.85 0.22 1.03 -1.46 0.00 0.00 175.22 172.17 2crr s ARG 106 N -2.09 0.15 0.15 10.12 1.81 -1.26 -5.04 118.95 122.79 2crr s ARG 106 Ca 0.53 0.39 -0.34 0.00 -1.72 0.00 0.00 55.73 54.59 2crr s ARG 106 Cb -0.45 -0.76 -0.15 0.00 -0.45 0.00 0.00 34.95 33.14 2crr s ARG 106 CO 0.61 -0.50 1.48 0.54 -0.68 0.00 0.00 175.30 176.75 2crr n ARG 107 N 5.33 1.84 -2.24 3.54 1.74 -1.26 -4.91 116.66 120.70 2crr n ARG 107 Ca -0.05 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.28 2crr n ARG 107 Cb 0.50 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 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 0.58 4.43 -0.21 5.56 0.04 -1.26 -4.96 135.00 139.18 2crr s PRO 108 Ca 0.79 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.87 2crr s PRO 108 Cb -0.75 -3.16 -0.21 0.00 0.04 0.00 0.00 34.50 30.42 2crr s PRO 108 CO 0.42 -0.15 0.00 1.04 0.04 0.00 0.00 177.00 178.35 2crr n GLN 109 N 1.89 0.69 -2.64 4.56 1.13 -1.26 -4.75 117.38 117.00 2crr n GLN 109 Ca 0.03 0.19 -0.40 0.00 -1.94 0.00 0.00 57.00 54.88 2crr n GLN 109 Cb 0.43 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 29.14 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 -2.53 3.93 0.13 5.09 -4.23 -1.26 -4.93 115.64 111.84 2crr s THR 110 Ca -0.29 1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 61.88 2crr s THR 110 Cb 0.08 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 2crr s THR 110 CO 0.67 0.41 1.72 -2.24 -0.54 0.00 0.00 174.62 174.64 2crr h ASP 111 N 4.38 -0.06 -0.92 3.99 2.03 -1.98 -1.19 116.42 122.66 2crr h ASP 111 Ca -0.45 0.05 0.31 0.00 -0.73 0.00 0.00 57.03 56.21 2crr h ASP 111 Cb 1.21 0.08 -0.17 0.00 -0.83 0.00 0.00 39.33 39.62 2crr h ASP 111 CO 0.69 -0.00 0.23 0.00 -1.03 0.00 0.00 179.24 179.13 2crr n GLN 112 N -5.13 -0.07 -0.06 4.15 10.64 -1.26 -1.04 117.38 124.61 2crr n GLN 112 Ca -0.02 1.33 -0.08 0.00 -1.83 0.00 0.00 57.00 56.40 2crr n GLN 112 Cb 0.11 -2.23 -0.06 0.00 -0.86 0.00 0.00 30.24 27.20 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr h ALA 113 N 1.84 0.02 -0.89 2.61 0.00 -1.82 -3.35 119.26 117.67 2crr h ALA 113 Ca 0.66 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2crr h ALA 113 Cb 1.56 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.31 2crr h ALA 113 CO -0.79 0.08 -0.46 0.28 0.00 0.00 0.00 179.25 178.35 2crr n VAL 114 N -4.68 -0.55 -0.31 0.00 0.31 -0.21 0.11 118.33 113.00 2crr n VAL 114 Ca -0.07 2.12 0.16 0.00 -0.01 0.00 0.00 64.34 66.55 2crr n VAL 114 Cb 0.26 -2.68 0.34 0.00 -0.91 0.00 0.00 33.84 30.86 2crr n VAL 114 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2crr h GLU 115 N 0.00 0.20 0.23 5.55 4.81 -1.29 -0.42 114.58 123.65 2crr h GLU 115 Ca 0.20 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2crr h GLU 115 Cb 0.42 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2crr h GLU 115 CO -0.85 0.13 -0.11 0.74 -0.73 0.00 0.00 179.01 178.19 2crr h PHE 116 N 0.20 -0.28 -0.88 0.92 0.04 0.68 -2.84 116.94 114.78 2crr h PHE 116 Ca 0.61 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.52 2crr h PHE 116 Cb 1.30 0.09 -0.14 0.00 2.20 0.00 0.00 35.95 39.40 2crr h PHE 116 CO -0.22 -0.17 -0.33 0.34 -0.60 0.00 0.00 178.31 177.33 2crr n PHE 117 N -4.98 0.06 -0.22 -0.55 7.35 0.95 0.17 117.46 120.24 2crr n PHE 117 Ca -0.04 1.08 -0.03 0.00 -0.76 0.00 0.00 57.45 57.70 2crr n PHE 117 Cb 0.12 -0.85 0.15 0.00 0.35 0.00 0.00 39.48 39.25 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 1.23 0.06 -2.13 2.04 -1.22 0.10 117.51 117.60 2crr h ILE 118 Ca 0.32 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2crr h ILE 118 Cb 0.54 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2crr h ILE 118 CO -0.87 0.29 -0.03 0.03 0.00 0.00 0.00 178.15 177.56 2crr h ARG 119 N 1.01 -0.08 0.00 2.37 3.08 0.19 0.47 114.38 121.42 2crr h ARG 119 Ca 0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2crr h ARG 119 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2crr h ARG 119 CO -0.03 0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.73 2crr n ASP 120 N -5.05 0.00 -0.01 7.04 8.00 0.88 0.18 116.55 127.59 2crr n ASP 120 Ca -0.08 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.00 2crr n ASP 120 Cb 0.13 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 2crr n ASP 120 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2crr n LYS 121 N -1.49 0.66 0.01 -1.24 4.81 0.34 -1.41 118.16 119.84 2crr n LYS 121 Ca 0.06 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2crr n LYS 121 Cb 0.25 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2crr n LYS 121 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2crr n TYR 122 N -2.28 -0.04 0.00 5.64 4.02 0.16 -4.46 117.16 120.20 2crr n TYR 122 Ca -0.04 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2crr n TYR 122 Cb 0.57 0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 2crr n TYR 122 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2crr n GLU 123 N -3.02 0.00 0.28 -0.72 2.13 0.46 -3.43 120.64 116.34 2crr n GLU 123 Ca 0.00 0.36 0.14 0.00 0.66 0.00 0.00 57.16 58.32 2crr n GLU 123 Cb 0.38 -1.26 0.81 0.00 0.27 0.00 0.00 31.44 31.64 2crr n GLU 123 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2crr h LYS 124 N 0.00 0.00 -5.34 5.31 1.57 -1.40 -3.46 116.57 113.25 2crr h LYS 124 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 2crr h LYS 124 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.42 2crr h LYS 124 CO 0.00 0.08 -0.65 1.63 -0.57 0.00 0.00 179.45 179.93 2crr n LYS 125 N -3.65 -6.90 0.53 3.15 4.76 -1.22 -4.92 118.16 109.90 2crr n LYS 125 Ca -0.02 0.86 -0.21 0.00 -2.87 0.00 0.00 58.31 56.07 2crr n LYS 125 Cb 0.19 -5.84 -0.10 0.00 -1.84 0.00 0.00 35.03 27.44 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 -2.25 -1.30 -1.20 1.97 1.57 -1.50 -2.68 116.57 111.20 2crr h LYS 126 Ca -0.56 0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 2crr h LYS 126 Cb 1.37 0.29 -0.08 0.00 0.08 0.00 0.00 32.23 33.89 2crr h LYS 126 CO 0.56 -0.86 0.19 0.66 -0.57 0.00 0.00 179.45 179.42 2crr n TYR 127 N -5.67 0.81 -3.34 -1.35 4.02 -1.26 -4.84 117.16 105.53 2crr n TYR 127 Ca -0.17 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.90 56.30 2crr n TYR 127 Cb 0.53 -0.51 -0.09 0.00 -0.02 0.00 0.00 39.34 39.25 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 -0.89 3.23 -0.48 -0.72 5.04 -1.01 -3.70 117.35 118.81 2crr s TYR 128 Ca 0.15 0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.88 2crr s TYR 128 Cb 0.13 -2.68 0.03 0.00 0.35 0.00 0.00 41.96 39.79 2crr s TYR 128 CO 0.02 -0.33 0.85 0.34 -1.34 0.00 0.00 175.55 175.09 2crr s ASP 129 N 1.67 6.40 0.01 4.32 -1.08 -1.02 -4.89 116.67 122.08 2crr s ASP 129 Ca 0.16 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 52.06 2crr s ASP 129 Cb -0.16 -2.41 -0.25 0.00 -1.46 0.00 0.00 42.92 38.65 2crr s ASP 129 CO 0.11 -1.03 0.88 0.07 0.52 0.00 0.00 175.17 175.72 2crr h LYS 130 N 9.10 0.11 -0.93 4.34 5.09 -1.96 -3.34 116.57 128.98 2crr h LYS 130 Ca -0.25 -0.19 0.12 0.00 0.09 0.00 0.00 60.65 60.42 2crr h LYS 130 Cb 1.08 0.07 -0.07 0.00 0.10 0.00 0.00 32.23 33.41 2crr h LYS 130 CO 1.01 0.90 0.59 -0.91 -2.09 0.00 0.00 179.45 178.96 2crr h ASN 131 N 0.03 0.79 0.15 7.07 2.35 -2.01 0.27 115.58 124.24 2crr h ASN 131 Ca -0.21 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2crr h ASN 131 Cb 1.96 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.20 2crr h ASN 131 CO 0.13 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 2crr h ALA 132 N 1.57 1.00 -0.19 -0.83 0.00 -1.96 -3.25 119.26 115.59 2crr h ALA 132 Ca 0.46 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.67 2crr h ALA 132 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2crr h ALA 132 CO -0.22 0.00 3.43 -0.89 0.00 0.00 0.00 179.25 181.57 2crr n ILE 133 N -2.55 4.57 1.35 0.00 2.08 0.95 -4.60 119.36 121.16 2crr n ILE 133 Ca -0.01 -3.09 0.01 0.00 0.56 0.00 0.00 62.75 60.21 2crr n ILE 133 Cb 0.08 -2.46 0.03 0.00 -0.75 0.00 0.00 39.64 36.54 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr n ALA 134 N 3.12 2.55 -2.15 -1.39 0.00 -1.23 -4.87 120.51 116.54 2crr n ALA 134 Ca 0.73 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 2crr n ALA 134 Cb 0.24 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2crr n ALA 134 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2crr s ILE 135 N -1.58 3.31 1.04 0.00 1.09 -1.26 -4.98 121.20 118.82 2crr s ILE 135 Ca 0.05 0.91 -0.16 0.00 -1.10 0.00 0.00 60.65 60.35 2crr s ILE 135 Cb 0.03 -3.58 0.07 0.00 -1.06 0.00 0.00 42.46 37.92 2crr s ILE 135 CO 0.02 0.06 0.22 -1.54 -0.10 0.00 0.00 174.94 173.60 2crr n SER 136 N 4.23 -2.23 -4.61 3.58 3.41 -1.26 -4.89 113.62 111.85 2crr n SER 136 Ca 0.12 0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 2crr n SER 136 Cb 0.42 -1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 2crr n SER 136 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2crr s GLY 137 N -1.94 1.60 0.67 5.00 0.00 -1.26 -5.03 107.32 106.36 2crr s GLY 137 Ca 0.57 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.72 2crr s GLY 137 CO 0.67 1.97 1.11 2.56 0.00 0.00 0.00 173.10 179.40 2crr s PRO 138 N 3.36 2.74 -0.68 2.90 0.04 -1.26 -4.92 135.00 137.19 2crr s PRO 138 Ca 0.37 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2crr s PRO 138 Cb -0.12 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2crr s PRO 138 CO 0.17 -1.29 1.81 0.45 0.04 0.00 0.00 177.00 178.17 2crr s SER 139 N -2.67 5.37 0.21 6.66 0.15 -1.26 -4.86 113.70 117.30 2crr s SER 139 Ca 0.66 0.06 -0.19 0.00 0.70 0.00 0.00 55.95 57.18 2crr s SER 139 Cb -0.20 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.75 2crr s SER 139 CO 0.43 -2.36 1.57 -1.28 1.20 0.00 0.00 173.24 172.80 2crr h SER 140 N 13.80 -1.32 0.00 5.45 0.87 -2.04 -3.58 113.55 126.73 2crr h SER 140 Ca -0.20 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2crr h SER 140 Cb 1.12 0.67 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2crr h SER 140 CO 1.23 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.84