#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 -0.48 0.84 1.61 0.15 -1.26 -5.16 113.70 109.40 2crr s SER 2 Ca 0.00 0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.96 2crr s SER 2 Cb 0.00 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.88 2crr s SER 2 CO 0.00 -0.60 1.11 -0.94 1.20 0.00 0.00 173.24 174.01 2crr s SER 3 N -1.43 3.76 0.00 5.45 1.04 -1.26 -5.05 113.70 116.22 2crr s SER 3 Ca -0.10 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2crr s SER 3 Cb -0.01 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2crr s SER 3 CO 0.06 -2.53 0.00 0.61 0.98 0.00 0.00 173.24 172.36 2crr n GLY 4 N -0.63 0.81 3.75 7.32 0.00 -1.26 -5.11 105.19 110.07 2crr n GLY 4 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.30 2.66 -0.65 1.61 1.04 -1.26 -4.97 113.70 112.43 2crr s SER 5 Ca 0.00 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 56.99 2crr s SER 5 Cb 0.00 -1.21 0.06 0.00 0.10 0.00 0.00 66.02 64.96 2crr s SER 5 CO 0.00 -3.06 1.02 -0.44 0.98 0.00 0.00 173.24 171.74 2crr s SER 6 N -4.06 6.21 -0.34 7.02 0.01 -1.26 -4.85 113.70 116.43 2crr s SER 6 Ca 0.67 -0.73 -0.07 0.00 1.31 0.00 0.00 55.95 57.13 2crr s SER 6 Cb -0.12 -2.45 0.20 0.00 0.21 0.00 0.00 66.02 63.86 2crr s SER 6 CO 0.54 -1.47 1.06 -0.83 0.41 0.00 0.00 173.24 172.95 2crr s GLY 7 N 3.50 -1.74 0.09 3.44 0.00 -1.26 -5.06 107.32 106.29 2crr s GLY 7 Ca 0.27 0.85 -0.36 0.00 0.00 0.00 0.00 44.72 45.48 2crr s GLY 7 CO 0.13 4.29 1.56 0.50 0.00 0.00 0.00 173.10 179.58 2crr h LYS 8 N 4.78 -0.93 -6.58 2.90 1.57 -2.04 -3.46 116.57 112.81 2crr h LYS 8 Ca -0.02 0.06 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 2crr h LYS 8 Cb 1.19 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.58 2crr h LYS 8 CO -0.09 -0.62 -0.82 0.00 -0.57 0.00 0.00 179.45 177.35 2crr n ALA 9 N -2.84 -1.35 -0.09 3.86 0.00 -1.26 -4.87 120.51 113.97 2crr n ALA 9 Ca -0.11 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 2crr n ALA 9 Cb 0.46 -3.59 -0.12 0.00 0.00 0.00 0.00 19.45 16.20 2crr n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2crr n GLN 10 N -4.48 0.62 -0.02 0.00 7.27 -1.26 -4.16 117.38 115.34 2crr n GLN 10 Ca 0.02 0.43 -0.03 0.00 0.07 0.00 0.00 57.00 57.49 2crr n GLN 10 Cb 0.52 -1.68 -0.02 0.00 2.41 0.00 0.00 30.24 31.47 2crr n GLN 10 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2crr h LYS 11 N -0.70 -0.06 -0.87 3.69 1.63 -2.03 -3.33 116.57 114.90 2crr h LYS 11 Ca -0.44 0.00 0.34 0.00 -0.85 0.00 0.00 60.65 59.70 2crr h LYS 11 Cb 1.56 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 33.05 2crr h LYS 11 CO -0.18 0.07 0.37 -0.11 -3.45 0.00 0.00 179.45 176.16 2crr n LEU 12 N -4.81 0.22 -4.55 5.20 7.94 -1.26 -3.53 117.00 116.20 2crr n LEU 12 Ca -0.02 1.46 -0.40 0.00 -1.11 0.00 0.00 56.01 55.94 2crr n LEU 12 Cb 0.08 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 2crr n LEU 12 CO 0.06 -1.60 1.30 0.20 -1.11 0.00 0.00 177.39 176.24 2crr s ASN 13 N -4.67 6.05 -0.28 1.96 0.01 -1.25 -4.86 114.94 111.89 2crr s ASN 13 Ca -0.09 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.52 2crr s ASN 13 Cb 0.29 -2.56 0.14 0.00 0.41 0.00 0.00 41.25 39.53 2crr s ASN 13 CO 0.68 -1.90 2.22 -0.62 -1.51 0.00 0.00 177.10 175.98 2crr n GLU 14 N 9.24 1.80 -2.86 -0.60 1.02 -1.23 -4.89 120.64 123.13 2crr n GLU 14 Ca 0.13 -1.45 -0.43 0.00 -0.02 0.00 0.00 57.16 55.39 2crr n GLU 14 Cb 0.50 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 2crr n GLU 14 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2crr s GLN 15 N -1.41 3.45 0.00 3.49 2.00 -1.26 -4.96 119.66 120.97 2crr s GLN 15 Ca 0.33 -0.00 0.00 0.00 -2.00 0.00 0.00 55.36 53.69 2crr s GLN 15 Cb 0.24 -3.96 0.00 0.00 0.80 0.00 0.00 33.01 30.09 2crr s GLN 15 CO -0.04 -1.26 0.94 0.72 -0.50 0.00 0.00 175.29 175.15 2crr n HIS 16 N 7.13 0.00 -0.02 1.67 8.25 -1.26 -1.37 115.22 129.63 2crr n HIS 16 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2crr n HIS 16 Cb 0.48 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 2crr n HIS 16 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2crr n GLN 17 N -2.26 -0.02 -0.38 -0.41 1.13 -1.26 -0.30 117.38 113.88 2crr n GLN 17 Ca 0.00 0.81 -0.02 0.00 -1.94 0.00 0.00 57.00 55.84 2crr n GLN 17 Cb 0.00 -1.21 0.02 0.00 0.11 0.00 0.00 30.24 29.16 2crr n GLN 17 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2crr n LEU 18 N -2.90 -0.70 -0.12 1.08 0.00 -1.19 -0.03 117.00 113.14 2crr n LEU 18 Ca 0.00 1.72 -0.05 0.00 0.00 0.00 0.00 56.01 57.68 2crr n LEU 18 Cb 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 43.42 43.07 2crr n LEU 18 CO -0.01 -1.52 0.72 0.40 0.00 0.00 0.00 177.39 176.98 2crr h ILE 19 N 0.00 0.40 -0.99 1.96 2.04 0.61 0.69 117.51 122.22 2crr h ILE 19 Ca 0.32 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.37 2crr h ILE 19 Cb 0.56 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.94 2crr h ILE 19 CO -0.97 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 177.73 2crr h LEU 20 N -0.12 0.69 -0.21 1.44 3.38 0.12 -0.73 115.31 119.88 2crr h LEU 20 Ca 0.20 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2crr h LEU 20 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2crr h LEU 20 CO -0.49 0.24 -0.06 -1.28 0.09 0.00 0.00 178.44 176.94 2crr h SER 21 N 0.67 0.41 -0.71 -0.43 0.87 -0.13 -3.15 113.55 111.09 2crr h SER 21 Ca 0.56 -0.38 0.15 0.00 -1.23 0.00 0.00 61.79 60.90 2crr h SER 21 Cb 1.00 -0.11 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 2crr h SER 21 CO -0.34 0.70 -0.08 0.11 -0.53 0.00 0.00 176.83 176.69 2crr h LYS 22 N 0.13 0.05 0.23 2.24 1.57 0.06 0.30 116.57 121.14 2crr h LYS 22 Ca 0.05 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2crr h LYS 22 Cb 0.52 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2crr h LYS 22 CO 0.02 0.03 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.47 2crr h LEU 23 N 0.05 -1.13 -2.79 2.94 3.38 -1.46 0.00 115.31 116.30 2crr h LEU 23 Ca 0.36 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2crr h LEU 23 Cb 0.60 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2crr h LEU 23 CO -0.67 -0.50 0.07 -0.07 0.09 0.00 0.00 178.44 177.35 2crr h LEU 24 N -0.70 0.00 -3.87 1.67 3.38 -1.24 -0.77 115.31 113.78 2crr h LEU 24 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2crr h LEU 24 Cb 0.69 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.13 2crr h LEU 24 CO -0.16 0.00 0.33 0.54 0.09 0.00 0.00 178.44 179.24 2crr n ARG 25 N -3.05 2.78 -1.33 1.13 1.74 -0.01 -4.30 116.66 113.61 2crr n ARG 25 Ca -0.03 -3.47 0.02 0.00 -0.77 0.00 0.00 57.85 53.61 2crr n ARG 25 Cb 0.13 -2.22 0.10 0.00 -1.02 0.00 0.00 32.46 29.44 2crr n ARG 25 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2crr n GLU 26 N -0.92 1.08 -1.80 5.56 -0.58 -0.29 -4.93 120.64 118.75 2crr n GLU 26 Ca 0.55 -2.83 -0.04 0.00 -0.42 0.00 0.00 57.16 54.42 2crr n GLU 26 Cb 0.89 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 30.79 2crr n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crr n GLU 27 N -0.33 -1.92 -0.06 3.49 2.13 -1.26 -4.66 120.64 118.04 2crr n GLU 27 Ca 0.14 0.22 -0.10 0.00 0.66 0.00 0.00 57.16 58.09 2crr n GLU 27 Cb 0.93 -4.52 -0.05 0.00 0.27 0.00 0.00 31.44 28.06 2crr n GLU 27 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2crr n ASP 28 N -0.54 2.42 -1.13 4.31 8.00 -1.26 -4.69 116.55 123.67 2crr n ASP 28 Ca -0.04 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.42 2crr n ASP 28 Cb 0.34 -0.24 0.20 0.00 -0.02 0.00 0.00 41.12 41.40 2crr n ASP 28 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2crr n ASN 29 N -3.05 2.46 -0.13 -2.24 3.02 -1.26 -4.38 115.26 109.68 2crr n ASN 29 Ca -0.21 -3.77 0.20 0.00 -0.03 0.00 0.00 54.58 50.77 2crr n ASN 29 Cb 0.70 -0.63 0.60 0.00 -0.61 0.00 0.00 39.78 39.85 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 1.02 0.20 -4.93 3.52 1.79 -1.84 -3.44 116.57 112.90 2crr h LYS 30 Ca 0.21 -0.01 -0.44 0.00 -2.18 0.00 0.00 60.65 58.22 2crr h LYS 30 Cb 1.62 -0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 32.09 2crr h LYS 30 CO 0.37 0.13 -0.55 0.71 -1.08 0.00 0.00 179.45 179.03 2crr s TYR 31 N -5.21 1.66 1.03 -1.35 1.51 -1.26 -3.66 117.35 110.07 2crr s TYR 31 Ca -0.07 -1.34 -0.13 0.00 -1.01 0.00 0.00 57.07 54.53 2crr s TYR 31 Cb 0.21 -0.93 0.16 0.00 -0.11 0.00 0.00 41.96 41.29 2crr s TYR 31 CO 0.76 -0.46 0.79 0.00 -1.11 0.00 0.00 175.55 175.53 2crr n ALA 33 N -4.35 2.87 -0.15 0.00 0.00 -1.11 -3.33 120.51 114.44 2crr n ALA 33 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2crr n ALA 33 Cb 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.26 0.00 0.00 0.00 9.92 -1.26 -4.82 116.55 120.13 2crr n ASP 34 Ca 0.15 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.55 2crr n ASP 34 Cb 0.36 0.00 0.77 0.00 -0.64 0.00 0.00 41.12 41.61 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crr n GLU 36 N -1.22 -4.35 -1.85 0.00 -0.58 -1.21 -4.85 120.64 106.58 2crr n GLU 36 Ca 0.16 0.49 -0.34 0.00 -0.42 0.00 0.00 57.16 57.05 2crr n GLU 36 Cb 0.20 -5.26 0.04 0.00 -0.57 0.00 0.00 31.44 25.85 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr s ALA 37 N -3.33 2.50 -0.36 0.62 0.00 -1.26 -4.27 121.76 115.65 2crr s ALA 37 Ca 0.66 0.63 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 2crr s ALA 37 Cb -0.34 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2crr s ALA 37 CO 0.88 -1.20 0.85 0.21 0.00 0.00 0.00 175.76 176.50 2crr s LYS 38 N -3.90 3.80 0.00 0.00 2.20 -1.26 -1.52 119.74 119.05 2crr s LYS 38 Ca 0.69 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 2crr s LYS 38 Cb -0.22 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 2crr s LYS 38 CO 0.38 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2crr n GLY 39 N 4.46 0.84 3.57 5.54 0.00 -1.24 -4.99 105.19 113.37 2crr n GLY 39 Ca 0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.60 2.51 0.00 1.61 0.04 -1.26 -4.82 135.00 131.49 2crr s PRO 40 Ca 0.00 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.11 2crr s PRO 40 Cb 0.00 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2crr s PRO 40 CO 0.00 -3.82 0.81 -2.13 0.04 0.00 0.00 177.00 171.89 2crr n ARG 41 N 8.44 0.00 -0.61 4.56 0.00 -1.26 -4.71 116.66 123.07 2crr n ARG 41 Ca 0.44 0.43 -0.31 0.00 -0.00 0.00 0.00 57.85 58.41 2crr n ARG 41 Cb 0.47 -1.36 0.20 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.78 -1.15 -3.62 -0.14 7.02 -1.16 -4.45 117.44 112.16 2crr n TRP 42 Ca 0.00 0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.50 2crr n TRP 42 Cb 0.00 -1.69 -0.06 0.00 -2.42 0.00 0.00 31.31 27.14 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 -2.36 -2.10 -0.41 6.99 0.00 -1.21 -2.40 121.76 120.26 2crr s ALA 43 Ca 0.62 2.32 -0.27 0.00 0.00 0.00 0.00 51.96 54.63 2crr s ALA 43 Cb -0.20 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.33 2crr s ALA 43 CO 0.65 -0.51 1.01 -1.12 0.00 0.00 0.00 175.76 175.80 2crr s SER 44 N 1.82 6.67 0.04 0.00 0.01 0.65 -4.15 113.70 118.73 2crr s SER 44 Ca -0.08 0.52 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 2crr s SER 44 Cb -0.06 -2.50 -0.16 0.00 0.21 0.00 0.00 66.02 63.51 2crr s SER 44 CO -0.18 -1.02 1.26 4.11 0.41 0.00 0.00 173.24 177.82 2crr h TRP 45 N 8.77 0.59 -0.79 2.43 5.08 -1.81 0.29 115.95 130.52 2crr h TRP 45 Ca -0.23 -0.23 0.18 0.00 1.08 0.00 0.00 58.89 59.69 2crr h TRP 45 Cb 1.07 -0.10 -0.12 0.00 -3.00 0.00 0.00 29.16 27.01 2crr h TRP 45 CO 0.89 0.96 0.21 -0.97 -1.28 0.00 0.00 178.44 178.25 2crr h ASN 46 N 0.05 0.04 0.17 0.11 -1.24 -1.91 -2.19 115.58 110.61 2crr h ASN 46 Ca -0.01 0.16 -0.33 0.00 0.71 0.00 0.00 56.30 56.83 2crr h ASN 46 Cb 0.96 0.21 0.01 0.00 0.73 0.00 0.00 38.32 40.22 2crr h ASN 46 CO 0.07 -0.06 -1.67 0.40 -1.29 0.00 0.00 177.43 174.89 2crr h ILE 47 N 0.27 0.95 -0.15 2.57 2.04 -1.89 -3.49 117.51 117.81 2crr h ILE 47 Ca 0.46 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.85 2crr h ILE 47 Cb 0.83 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 2crr h ILE 47 CO -0.55 0.82 0.00 0.61 0.00 0.00 0.00 178.15 179.04 2crr n GLY 48 N 1.84 1.04 3.15 5.37 0.00 0.96 -4.78 105.19 112.77 2crr n GLY 48 Ca -0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.15 0.14 -0.32 1.61 -7.23 -0.72 -0.71 120.40 111.02 2crr s VAL 49 Ca 0.00 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2crr s VAL 49 Cb 0.00 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 2crr s VAL 49 CO 0.00 -0.62 0.18 -0.36 -0.31 0.00 0.00 175.10 173.98 2crr s PHE 50 N -3.99 3.19 0.27 2.82 0.40 -1.26 -0.26 117.98 119.16 2crr s PHE 50 Ca 0.17 -0.45 0.12 0.00 -0.60 0.00 0.00 56.93 56.17 2crr s PHE 50 Cb 0.07 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 2crr s PHE 50 CO -0.03 -0.42 -0.20 0.96 0.70 0.00 0.00 175.22 176.24 2crr s ILE 51 N 1.65 2.50 0.97 0.64 -4.36 -1.01 -2.76 121.20 118.83 2crr s ILE 51 Ca 0.05 -2.37 -0.16 0.00 -0.26 0.00 0.00 60.65 57.91 2crr s ILE 51 Cb -0.17 -2.31 0.23 0.00 1.25 0.00 0.00 42.46 41.47 2crr s ILE 51 CO 0.08 -0.38 1.07 0.00 0.24 0.00 0.00 174.94 175.95 2crr h ILE 53 N -2.14 1.32 0.28 0.00 2.10 -1.93 -2.73 117.51 114.41 2crr h ILE 53 Ca -0.37 -1.76 -0.01 0.00 1.08 0.00 0.00 64.86 63.80 2crr h ILE 53 Cb 1.08 1.92 -0.01 0.00 -1.09 0.00 0.00 36.82 38.71 2crr h ILE 53 CO 0.25 0.55 -0.24 -0.09 -1.08 0.00 0.00 178.15 177.54 2crr h ARG 54 N 0.38 -0.49 -0.52 2.19 1.12 -2.02 -2.78 114.38 112.26 2crr h ARG 54 Ca -0.01 0.03 0.10 0.00 -1.11 0.00 0.00 59.98 58.99 2crr h ARG 54 Cb 1.15 0.11 -0.10 0.00 -0.01 0.00 0.00 29.97 31.12 2crr h ARG 54 CO 0.11 -0.33 -0.14 0.00 -3.11 0.00 0.00 179.97 176.51 2crr h ALA 56 N 1.50 0.57 -0.79 0.00 0.00 -1.34 0.28 119.26 119.48 2crr h ALA 56 Ca 0.25 0.37 0.17 0.00 0.00 0.00 0.00 54.91 55.70 2crr h ALA 56 Cb 0.39 0.80 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 2crr h ALA 56 CO -0.54 -0.42 -0.15 0.78 0.00 0.00 0.00 179.25 178.92 2crr h GLY 57 N -0.00 0.65 0.96 0.00 0.00 -0.96 1.00 103.07 104.71 2crr h GLY 57 Ca 0.46 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.97 2crr h GLY 57 CO -1.02 -0.31 0.13 -2.22 0.00 0.00 0.00 176.54 173.13 2crr h ILE 58 N 0.02 1.23 -0.66 2.60 5.03 -0.54 -2.97 117.51 122.21 2crr h ILE 58 Ca 0.40 -0.77 0.14 0.00 -0.12 0.00 0.00 64.86 64.50 2crr h ILE 58 Cb 0.64 0.86 -0.11 0.00 -3.03 0.00 0.00 36.82 35.18 2crr h ILE 58 CO -0.79 0.28 0.07 0.45 -0.68 0.00 0.00 178.15 177.48 2crr h HIS 59 N 0.61 0.09 -0.54 1.37 3.86 -0.27 -0.22 115.15 120.05 2crr h HIS 59 Ca 0.15 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.46 2crr h HIS 59 Cb 0.29 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 2crr h HIS 59 CO 0.02 -0.13 0.25 0.00 0.86 0.00 0.00 177.93 178.93 2crr h ARG 60 N 0.18 0.47 -0.21 2.45 3.08 -1.19 -2.53 114.38 116.62 2crr h ARG 60 Ca 0.36 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.43 2crr h ARG 60 Cb 0.59 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2crr h ARG 60 CO -0.52 0.31 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.65 2crr h ASN 61 N 0.48 -0.43 -0.67 7.04 4.21 -1.00 -2.51 115.58 122.72 2crr h ASN 61 Ca 0.25 0.10 0.12 0.00 1.21 0.00 0.00 56.30 57.97 2crr h ASN 61 Cb 0.20 0.23 -0.12 0.00 -1.12 0.00 0.00 38.32 37.51 2crr h ASN 61 CO -0.20 -0.17 -0.22 0.18 -1.29 0.00 0.00 177.43 175.73 2crr n LEU 62 N -5.29 -0.35 0.00 1.61 4.77 -0.90 -4.82 117.00 112.01 2crr n LEU 62 Ca -0.01 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2crr n LEU 62 Cb 0.21 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2crr n LEU 62 CO 0.20 -1.07 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 2crr n GLY 63 N -1.36 4.62 0.41 -0.72 0.00 -0.94 -4.76 105.19 102.43 2crr n GLY 63 Ca 0.08 -0.95 0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 0.45 0.00 1.61 -1.51 -1.77 0.72 116.25 115.75 2crr h VAL 64 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 2crr h VAL 64 Cb 0.00 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.77 2crr h VAL 64 CO 0.00 0.00 -0.35 1.12 -1.23 0.00 0.00 177.57 177.11 2crr h HIS 65 N 0.00 0.00 0.00 5.19 -0.00 -1.96 -3.37 115.15 115.01 2crr h HIS 65 Ca 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.59 2crr h HIS 65 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.65 2crr h HIS 65 CO 0.00 0.35 -0.71 -0.89 -0.00 0.00 0.00 177.93 176.68 2crr n ILE 66 N -3.24 1.44 -3.66 6.12 5.41 0.22 -5.03 119.36 120.63 2crr n ILE 66 Ca 0.02 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.80 2crr n ILE 66 Cb 0.63 -2.33 -0.08 0.00 -0.71 0.00 0.00 39.64 37.15 2crr n ILE 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2crr s SER 67 N -5.94 -0.68 0.44 4.38 0.01 0.30 -4.94 113.70 107.27 2crr s SER 67 Ca -0.19 1.29 0.08 0.00 1.31 0.00 0.00 55.95 58.44 2crr s SER 67 Cb 0.03 1.29 -0.00 0.00 0.21 0.00 0.00 66.02 67.55 2crr s SER 67 CO 0.30 -0.22 0.42 -0.13 0.41 0.00 0.00 173.24 174.02 2crr s ARG 68 N 0.46 2.50 0.00 12.44 0.52 -1.26 -4.24 118.95 129.37 2crr s ARG 68 Ca -0.01 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 2crr s ARG 68 Cb -0.05 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 2crr s ARG 68 CO -0.01 -0.30 -0.02 0.08 0.02 0.00 0.00 175.30 175.07 2crr s VAL 69 N -2.52 0.14 -0.17 3.52 1.01 -1.26 -4.58 120.40 116.54 2crr s VAL 69 Ca 0.48 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2crr s VAL 69 Cb -0.04 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.32 2crr s VAL 69 CO 0.28 -0.08 1.02 -1.59 0.00 0.00 0.00 175.10 174.73 2crr s LYS 70 N -0.36 0.56 1.25 2.72 -2.85 -1.26 -5.05 119.74 114.76 2crr s LYS 70 Ca -0.03 0.16 -0.16 0.00 -1.00 0.00 0.00 55.97 54.94 2crr s LYS 70 Cb -0.03 0.27 0.31 0.00 -2.06 0.00 0.00 37.83 36.32 2crr s LYS 70 CO -0.00 -0.17 0.90 -1.13 0.10 0.00 0.00 175.35 175.05 2crr n SER 71 N 0.78 -2.42 -0.10 0.03 3.41 -1.26 -3.34 113.62 110.72 2crr n SER 71 Ca -0.10 -0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.07 2crr n SER 71 Cb 0.58 -1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.21 2crr n SER 71 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2crr n VAL 72 N -5.18 1.31 0.01 -3.33 0.31 -1.26 -4.54 118.33 105.65 2crr n VAL 72 Ca 0.04 -0.80 -0.01 0.00 -0.01 0.00 0.00 64.34 63.56 2crr n VAL 72 Cb 0.56 -0.52 -0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.72 0.35 -0.31 4.52 5.15 -1.26 -4.69 115.26 116.30 2crr n ASN 73 Ca -0.31 0.05 0.35 0.00 -0.60 0.00 0.00 54.58 54.06 2crr n ASN 73 Cb 1.12 -0.11 0.72 0.00 -0.53 0.00 0.00 39.78 40.97 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 -0.04 0.00 -9.36 1.20 4.07 -2.00 -3.38 115.31 105.80 2crr h LEU 74 Ca -0.02 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.27 2crr h LEU 74 Cb 0.76 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.37 2crr h LEU 74 CO -0.01 0.00 -0.64 -1.81 -1.08 0.00 0.00 178.44 174.90 2crr s ASP 75 N -4.69 5.15 -0.21 -0.43 1.01 -1.26 -5.04 116.67 111.19 2crr s ASP 75 Ca -0.05 0.01 -0.26 0.00 0.71 0.00 0.00 52.55 52.96 2crr s ASP 75 Cb 0.21 -1.36 -0.00 0.00 1.01 0.00 0.00 42.92 42.78 2crr s ASP 75 CO 0.73 0.29 0.90 -1.58 0.21 0.00 0.00 175.17 175.72 2crr s GLN 76 N -1.49 4.25 0.47 8.23 0.74 -1.26 -4.77 119.66 125.84 2crr s GLN 76 Ca 0.19 1.11 0.05 0.00 0.05 0.00 0.00 55.36 56.76 2crr s GLN 76 Cb -0.11 -3.62 0.02 0.00 1.10 0.00 0.00 33.01 30.39 2crr s GLN 76 CO 0.09 -0.49 0.65 -1.58 -0.55 0.00 0.00 175.29 173.41 2crr s TRP 77 N 2.73 2.81 -0.00 1.67 0.52 -1.26 -5.12 118.94 120.29 2crr s TRP 77 Ca 0.39 -0.25 0.06 0.00 0.02 0.00 0.00 56.10 56.31 2crr s TRP 77 Cb -0.16 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.62 2crr s TRP 77 CO 0.09 -0.60 -0.18 0.95 0.02 0.00 0.00 176.95 177.23 2crr s THR 78 N -2.51 1.39 0.29 2.01 -4.23 -1.26 -5.01 115.64 106.31 2crr s THR 78 Ca 0.56 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 2crr s THR 78 Cb -0.10 -1.17 0.37 0.00 1.34 0.00 0.00 72.50 72.94 2crr s THR 78 CO 0.35 0.33 1.42 0.00 -0.54 0.00 0.00 174.62 176.18 2crr n ALA 79 N 2.47 0.53 -0.21 3.99 0.00 -1.26 0.14 120.51 126.17 2crr n ALA 79 Ca -0.15 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.26 2crr n ALA 79 Cb 0.54 -0.74 0.12 0.00 0.00 0.00 0.00 19.45 19.37 2crr n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crr h GLU 80 N 0.00 0.46 -0.14 0.00 5.08 -2.01 -1.79 114.58 116.18 2crr h GLU 80 Ca 0.58 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.72 2crr h GLU 80 Cb 1.26 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2crr h GLU 80 CO -0.83 0.30 -0.67 1.96 -1.00 0.00 0.00 179.01 178.77 2crr h GLN 81 N 0.47 0.69 -0.02 2.33 1.08 0.86 -3.34 115.11 117.19 2crr h GLN 81 Ca 0.32 -0.56 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2crr h GLN 81 Cb 0.37 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 2crr h GLN 81 CO -0.29 1.18 -0.40 0.82 -0.95 0.00 0.00 178.83 179.19 2crr h ILE 82 N 0.38 0.00 -0.71 2.54 1.08 -0.15 -2.32 117.51 118.33 2crr h ILE 82 Ca -0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 2crr h ILE 82 Cb 1.31 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.94 2crr h ILE 82 CO 0.14 0.00 -0.29 1.67 -0.69 0.00 0.00 178.15 178.98 2crr n GLN 83 N -4.69 -0.18 -0.38 2.37 -0.06 -0.73 0.12 117.38 113.82 2crr n GLN 83 Ca -0.05 1.10 -0.11 0.00 -2.00 0.00 0.00 57.00 55.93 2crr n GLN 83 Cb 0.29 -1.63 -0.09 0.00 -4.06 0.00 0.00 30.24 24.75 2crr n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2crr n MET 85 N -5.28 -0.30 0.19 0.00 2.81 0.12 -0.19 117.12 114.47 2crr n MET 85 Ca 0.01 1.22 -0.14 0.00 -1.81 0.00 0.00 57.70 56.99 2crr n MET 85 Cb 0.28 -1.81 -0.08 0.00 -0.71 0.00 0.00 33.22 30.90 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 -0.43 -0.93 0.03 7.50 -1.06 1.72 115.11 121.93 2crr h GLN 86 Ca 0.18 0.03 0.28 0.00 0.50 0.00 0.00 58.65 59.64 2crr h GLN 86 Cb 0.38 0.10 -0.16 0.00 0.05 0.00 0.00 27.48 27.86 2crr h GLN 86 CO -0.77 -0.19 0.28 -0.44 -1.50 0.00 0.00 178.83 176.20 2crr h ASP 87 N -0.61 0.01 0.00 1.46 3.32 0.13 -3.30 116.42 117.43 2crr h ASP 87 Ca -0.05 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2crr h ASP 87 Cb 0.44 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2crr h ASP 87 CO 0.08 -0.23 0.00 0.80 -1.72 0.00 0.00 179.24 178.17 2crr n MET 88 N -5.26 0.00 -1.21 3.56 1.56 0.73 -4.99 117.12 111.51 2crr n MET 88 Ca 0.25 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.84 2crr n MET 88 Cb 0.82 -0.28 -0.06 0.00 2.15 0.00 0.00 33.22 35.85 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 -2.74 0.17 -5.12 0.00 0.58 -3.52 105.19 96.54 2crr n GLY 89 Ca 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.17 0.46 -0.38 1.61 4.21 -1.85 -2.30 115.58 116.17 2crr h ASN 90 Ca -0.10 -0.15 0.03 0.00 1.21 0.00 0.00 56.30 57.30 2crr h ASN 90 Cb 1.14 -0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 38.18 2crr h ASN 90 CO 0.05 0.48 -0.22 0.41 -1.29 0.00 0.00 177.43 176.86 2crr n THR 91 N -4.72 -0.26 -0.03 2.81 -1.04 -1.26 -0.44 114.28 109.34 2crr n THR 91 Ca -0.01 1.74 -0.11 0.00 -2.04 0.00 0.00 64.05 63.63 2crr n THR 91 Cb 0.12 -2.23 -0.04 0.00 -1.82 0.00 0.00 70.33 66.36 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 0.22 -1.11 -2.82 1.57 -1.60 -2.45 116.57 110.38 2crr h LYS 92 Ca 0.06 -0.02 0.36 0.00 -1.87 0.00 0.00 60.65 59.18 2crr h LYS 92 Cb 0.15 -0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.28 2crr h LYS 92 CO -0.35 0.19 0.68 0.00 -0.57 0.00 0.00 179.45 179.39 2crr h ALA 93 N 1.01 2.27 -0.08 3.86 0.00 -0.51 0.89 119.26 126.71 2crr h ALA 93 Ca 0.06 0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 2crr h ALA 93 Cb 0.03 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2crr h ALA 93 CO -0.01 -0.87 -0.83 -0.09 0.00 0.00 0.00 179.25 177.45 2crr h ARG 94 N 0.23 0.57 -0.00 0.00 1.12 -0.29 0.53 114.38 116.54 2crr h ARG 94 Ca 0.75 -0.51 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 2crr h ARG 94 Cb 1.98 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 32.06 2crr h ARG 94 CO -0.51 1.13 -0.04 1.28 -3.11 0.00 0.00 179.97 178.72 2crr n LEU 95 N -3.85 0.31 -0.00 3.80 4.77 0.25 -2.62 117.00 119.66 2crr n LEU 95 Ca -0.07 0.04 -0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2crr n LEU 95 Cb 0.77 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2crr n LEU 95 CO 0.51 0.05 -0.02 -0.11 -1.33 0.00 0.00 177.39 176.50 2crr n LEU 96 N -0.96 0.08 -0.01 2.23 -0.00 0.18 -4.48 117.00 114.04 2crr n LEU 96 Ca 0.17 0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 56.07 2crr n LEU 96 Cb 0.23 -0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 43.28 2crr n LEU 96 CO 0.21 -0.50 0.63 1.88 -0.00 0.00 0.00 177.39 179.61 2crr h TYR 97 N -0.03 -0.01 -0.34 1.96 -1.99 -1.08 -2.32 116.97 113.17 2crr h TYR 97 Ca 0.00 -0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 2crr h TYR 97 Cb 0.03 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 38.66 2crr h TYR 97 CO -0.01 0.50 0.28 0.39 -0.00 0.00 0.00 178.16 179.31 2crr n GLU 98 N -4.85 1.53 -0.09 4.88 1.02 -1.08 -3.81 120.64 118.25 2crr n GLU 98 Ca -0.09 -1.10 -0.11 0.00 -0.02 0.00 0.00 57.16 55.84 2crr n GLU 98 Cb 0.26 -1.43 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.43 1.46 -0.67 0.62 0.00 -1.15 -4.25 120.51 116.95 2crr n ALA 99 Ca 0.21 -1.17 0.04 0.00 0.00 0.00 0.00 53.44 52.52 2crr n ALA 99 Cb 0.67 -0.31 0.34 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.91 5.04 -4.77 0.00 3.02 -1.22 -4.97 115.26 109.45 2crr n ASN 100 Ca -0.32 -2.85 -0.38 0.00 -0.03 0.00 0.00 54.58 51.00 2crr n ASN 100 Cb 1.11 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.44 4.06 0.47 3.41 1.43 -1.26 -4.86 118.68 119.49 2crr s LEU 101 Ca 0.48 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.75 2crr s LEU 101 Cb 0.37 -4.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 2crr s LEU 101 CO 0.14 -0.91 1.16 -2.16 0.23 0.00 0.00 176.35 174.81 2crr s PRO 102 N -2.57 3.72 0.28 1.29 0.04 -1.26 -4.93 135.00 131.58 2crr s PRO 102 Ca 0.62 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.45 2crr s PRO 102 Cb -0.31 -2.37 0.67 0.00 0.04 0.00 0.00 34.50 32.53 2crr s PRO 102 CO 0.38 -0.58 1.72 1.49 0.04 0.00 0.00 177.00 180.06 2crr h GLU 103 N 1.98 0.48 -1.06 4.56 4.57 -2.01 0.14 114.58 123.23 2crr h GLU 103 Ca -0.49 -0.03 -0.66 0.00 -1.18 0.00 0.00 59.36 56.99 2crr h GLU 103 Cb 1.25 -0.11 -0.28 0.00 -0.16 0.00 0.00 28.75 29.45 2crr h GLU 103 CO 0.60 0.32 0.86 0.27 -1.18 0.00 0.00 179.01 179.88 2crr n ASN 104 N -4.97 7.65 -4.72 1.04 2.04 -1.26 -5.01 115.26 110.03 2crr n ASN 104 Ca 0.21 -3.75 -0.34 0.00 -0.44 0.00 0.00 54.58 50.25 2crr n ASN 104 Cb 0.59 -0.99 0.10 0.00 -2.53 0.00 0.00 39.78 36.94 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2crr s PHE 105 N -3.73 2.06 -0.15 -2.53 5.36 0.47 -5.04 117.98 114.41 2crr s PHE 105 Ca 0.63 1.61 -0.05 0.00 -0.96 0.00 0.00 56.93 58.16 2crr s PHE 105 Cb 0.49 -3.44 0.07 0.00 -0.34 0.00 0.00 43.02 39.80 2crr s PHE 105 CO -0.02 -2.57 0.29 0.50 -1.46 0.00 0.00 175.22 171.96 2crr s ARG 106 N -3.98 0.19 0.31 10.12 3.52 -1.26 -5.05 118.95 122.80 2crr s ARG 106 Ca 0.73 0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 56.82 2crr s ARG 106 Cb -0.28 -0.02 -0.10 0.00 -1.56 0.00 0.00 34.95 32.99 2crr s ARG 106 CO 0.46 -0.30 1.32 1.03 -0.81 0.00 0.00 175.30 177.00 2crr s ARG 107 N 2.46 4.35 0.23 5.12 0.52 -1.26 -4.97 118.95 125.40 2crr s ARG 107 Ca 0.01 2.21 -0.30 0.00 -0.52 0.00 0.00 55.73 57.13 2crr s ARG 107 Cb -0.12 -3.09 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 2crr s ARG 107 CO -0.10 -0.21 1.28 -1.25 0.02 0.00 0.00 175.30 175.04 2crr s PRO 108 N -1.50 4.42 -0.20 3.54 0.04 -1.26 -4.95 135.00 135.08 2crr s PRO 108 Ca 0.51 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.64 2crr s PRO 108 Cb -0.40 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 30.81 2crr s PRO 108 CO 0.51 -0.18 -0.12 1.04 0.04 0.00 0.00 177.00 178.29 2crr n GLN 109 N 2.15 0.75 -3.18 4.56 1.13 -1.26 -4.72 117.38 116.80 2crr n GLN 109 Ca 0.04 0.09 -0.39 0.00 -1.94 0.00 0.00 57.00 54.79 2crr n GLN 109 Cb 0.43 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 2crr n GLN 109 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2crr s THR 110 N -2.42 5.08 0.16 5.09 -1.32 -1.26 -4.94 115.64 116.03 2crr s THR 110 Ca -0.23 1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 61.23 2crr s THR 110 Cb 0.07 -3.90 0.16 0.00 -1.51 0.00 0.00 72.50 67.31 2crr s THR 110 CO 0.55 0.19 1.11 -0.67 -2.21 0.00 0.00 174.62 173.58 2crr n ASP 111 N 4.54 -0.48 -0.17 8.08 -0.08 -1.26 -0.58 116.55 126.60 2crr n ASP 111 Ca -0.03 1.25 -0.04 0.00 -1.51 0.00 0.00 54.79 54.45 2crr n ASP 111 Cb 0.50 -0.28 -0.04 0.00 2.34 0.00 0.00 41.12 43.64 2crr n ASP 111 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crr n GLN 112 N -5.04 -0.18 0.19 -0.67 6.02 -1.26 -0.30 117.38 116.14 2crr n GLN 112 Ca 0.07 0.98 -0.15 0.00 -0.01 0.00 0.00 57.00 57.90 2crr n GLN 112 Cb 0.28 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2crr h ALA 113 N -0.17 -0.45 -0.95 -1.58 0.00 -1.25 -3.12 119.26 111.74 2crr h ALA 113 Ca 0.06 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.98 2crr h ALA 113 Cb 0.17 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 2crr h ALA 113 CO -0.38 -0.70 -0.38 0.28 0.00 0.00 0.00 179.25 178.08 2crr n VAL 114 N -5.24 -0.50 -0.11 0.00 0.31 -0.25 -0.06 118.33 112.48 2crr n VAL 114 Ca -0.10 2.22 -0.07 0.00 -0.01 0.00 0.00 64.34 66.38 2crr n VAL 114 Cb 0.23 -2.93 -0.01 0.00 -0.91 0.00 0.00 33.84 30.22 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 -0.21 -0.03 5.55 4.81 -0.60 -1.71 114.58 122.39 2crr h GLU 115 Ca 0.32 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2crr h GLU 115 Cb 0.56 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2crr h GLU 115 CO -0.94 -0.14 -0.10 0.74 -0.73 0.00 0.00 179.01 177.84 2crr h PHE 116 N -0.22 -0.26 -0.95 0.92 0.04 -0.45 0.40 116.94 116.43 2crr h PHE 116 Ca 0.18 0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.22 2crr h PHE 116 Cb 0.50 0.12 -0.14 0.00 2.20 0.00 0.00 35.95 38.64 2crr h PHE 116 CO -0.49 -0.16 0.47 0.35 -0.60 0.00 0.00 178.31 177.88 2crr h PHE 117 N -0.16 0.77 0.07 -0.55 3.57 -0.19 0.37 116.94 120.82 2crr h PHE 117 Ca 0.05 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.33 2crr h PHE 117 Cb 0.23 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2crr h PHE 117 CO -0.18 -0.09 -1.27 0.82 -2.23 0.00 0.00 178.31 175.36 2crr h ILE 118 N 0.38 1.43 0.00 1.41 2.04 -0.66 0.18 117.51 122.29 2crr h ILE 118 Ca 0.63 -3.09 0.00 0.00 1.00 0.00 0.00 64.86 63.40 2crr h ILE 118 Cb 1.30 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 2crr h ILE 118 CO -0.57 0.87 0.00 0.54 0.00 0.00 0.00 178.15 178.99 2crr n ARG 119 N -3.41 0.18 0.00 2.37 1.74 0.14 -1.96 116.66 115.72 2crr n ARG 119 Ca -0.08 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2crr n ARG 119 Cb 1.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 2crr n ARG 119 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crr n ASP 120 N -1.37 2.05 -0.04 0.55 8.00 0.97 -3.19 116.55 123.52 2crr n ASP 120 Ca 0.08 -0.17 -0.21 0.00 0.71 0.00 0.00 54.79 55.19 2crr n ASP 120 Cb 0.19 0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 41.92 2crr n ASP 120 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2crr h LYS 121 N 0.00 0.15 0.00 -1.24 3.64 -0.55 -0.87 116.57 117.70 2crr h LYS 121 Ca 0.00 -0.25 -0.43 0.00 -1.27 0.00 0.00 60.65 58.70 2crr h LYS 121 Cb 0.00 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2crr h LYS 121 CO 0.00 1.12 -2.35 0.66 -2.27 0.00 0.00 179.45 176.61 2crr n TYR 122 N -4.06 0.16 0.00 1.91 4.01 -0.83 -3.48 117.16 114.88 2crr n TYR 122 Ca -0.28 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2crr n TYR 122 Cb 0.83 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 2crr n TYR 122 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2crr n GLU 123 N -4.28 0.00 0.30 -0.72 2.13 -1.17 -3.06 120.64 113.84 2crr n GLU 123 Ca -0.51 0.45 0.18 0.00 0.66 0.00 0.00 57.16 57.94 2crr n GLU 123 Cb 0.86 -1.43 0.90 0.00 0.27 0.00 0.00 31.44 32.04 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 -5.77 5.31 1.57 -1.68 -3.46 116.57 112.53 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 0.14 0.00 0.08 0.00 0.00 32.23 32.45 2crr h LYS 124 CO 0.00 0.03 -0.67 1.63 -0.57 0.00 0.00 179.45 179.87 2crr n LYS 125 N -3.22 -7.88 0.00 3.15 4.76 -1.16 -4.95 118.16 108.86 2crr n LYS 125 Ca -0.01 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 2crr n LYS 125 Cb 0.20 -5.85 0.00 0.00 -1.84 0.00 0.00 35.03 27.54 2crr n LYS 125 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2crr n LYS 126 N -4.95 0.00 0.09 1.97 5.02 -0.34 -3.04 118.16 116.90 2crr n LYS 126 Ca 0.01 0.36 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 2crr n LYS 126 Cb 0.56 -1.32 0.41 0.00 -0.02 0.00 0.00 35.03 34.65 2crr n LYS 126 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2crr n TYR 127 N -1.59 0.50 -1.69 2.13 4.02 -1.26 -4.75 117.16 114.52 2crr n TYR 127 Ca 0.00 0.21 -0.50 0.00 -0.01 0.00 0.00 57.90 57.60 2crr n TYR 127 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 39.34 38.43 2crr n TYR 127 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2crr n TYR 128 N -1.97 2.28 -3.23 -0.72 9.36 -1.17 -3.42 117.16 118.29 2crr n TYR 128 Ca 0.02 0.10 -0.41 0.00 3.32 0.00 0.00 57.90 60.92 2crr n TYR 128 Cb 0.15 -2.63 -0.08 0.00 -0.63 0.00 0.00 39.34 36.16 2crr n TYR 128 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2crr s ASP 129 N 4.01 6.33 0.03 2.98 2.15 -0.88 -4.91 116.67 126.38 2crr s ASP 129 Ca 0.94 0.00 0.22 0.00 0.43 0.00 0.00 52.55 54.14 2crr s ASP 129 Cb -0.77 -2.27 -0.12 0.00 -0.30 0.00 0.00 42.92 39.46 2crr s ASP 129 CO 0.55 -0.48 0.85 2.29 -0.17 0.00 0.00 175.17 178.20 2crr n LYS 130 N 5.76 0.34 0.08 4.34 0.00 -1.26 -4.18 118.16 123.24 2crr n LYS 130 Ca -0.04 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.31 58.17 2crr n LYS 130 Cb 0.49 -1.57 0.13 0.00 -0.00 0.00 0.00 35.03 34.09 2crr n LYS 130 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 2crr h ASN 131 N 0.00 0.31 -0.97 -5.58 -1.07 -1.99 -3.16 115.58 103.12 2crr h ASN 131 Ca 0.00 -0.16 0.29 0.00 0.07 0.00 0.00 56.30 56.50 2crr h ASN 131 Cb 0.77 -0.09 -0.15 0.00 -2.07 0.00 0.00 38.32 36.78 2crr h ASN 131 CO 0.00 0.80 0.46 0.00 0.07 0.00 0.00 177.43 178.76 2crr h ALA 132 N 1.21 1.74 -1.10 4.14 0.00 -1.96 -1.65 119.26 121.63 2crr h ALA 132 Ca 0.00 0.20 -0.78 0.00 0.00 0.00 0.00 54.91 54.34 2crr h ALA 132 Cb 1.04 0.21 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 2crr h ALA 132 CO 0.09 -0.54 1.62 -0.89 0.00 0.00 0.00 179.25 179.53 2crr n ILE 133 N -5.11 5.43 0.14 0.00 5.41 -1.19 -4.70 119.36 119.34 2crr n ILE 133 Ca 0.28 -5.18 0.02 0.00 1.00 0.00 0.00 62.75 58.88 2crr n ILE 133 Cb 0.89 -1.94 0.18 0.00 -0.71 0.00 0.00 39.64 38.06 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2crr n ALA 134 N 1.36 3.17 -0.95 -1.39 0.00 -0.62 -4.98 120.51 117.10 2crr n ALA 134 Ca 0.48 -0.88 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 2crr n ALA 134 Cb 0.28 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.68 2crr n ALA 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2crr n ILE 135 N 0.25 0.00 -3.62 0.00 -5.35 -1.26 -2.61 119.36 106.77 2crr n ILE 135 Ca 0.13 -0.41 -0.22 0.00 -0.27 0.00 0.00 62.75 61.98 2crr n ILE 135 Cb 0.70 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.66 2crr n ILE 135 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2crr n SER 136 N 2.36 -3.63 -3.81 7.28 7.64 -1.26 -5.00 113.62 117.19 2crr n SER 136 Ca 0.04 -0.67 -0.13 0.00 1.01 0.00 0.00 58.87 59.12 2crr n SER 136 Cb 0.41 -4.66 -0.15 0.00 -1.01 0.00 0.00 64.21 58.81 2crr n SER 136 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crr s GLY 137 N -3.87 0.02 0.41 0.23 0.00 -1.07 -5.03 107.32 98.00 2crr s GLY 137 Ca 0.29 0.27 0.20 0.00 0.00 0.00 0.00 44.72 45.48 2crr s GLY 137 CO 0.76 0.45 1.83 -0.56 0.00 0.00 0.00 173.10 175.58 2crr h PRO 138 N 6.69 0.00 -6.08 2.90 0.13 -1.94 -3.43 132.00 130.26 2crr h PRO 138 Ca -0.35 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.20 2crr h PRO 138 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2crr h PRO 138 CO 0.47 0.31 1.42 0.45 -0.23 0.00 0.00 178.00 180.42 2crr s SER 139 N -6.44 5.67 0.14 1.44 0.15 -1.26 -4.87 113.70 108.52 2crr s SER 139 Ca -0.01 1.87 -0.26 0.00 0.70 0.00 0.00 55.95 58.25 2crr s SER 139 Cb 0.12 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2crr s SER 139 CO 0.67 -1.80 1.60 -1.28 1.20 0.00 0.00 173.24 173.64 2crr h SER 140 N 14.07 -1.05 0.00 5.45 0.87 -2.01 -3.51 113.55 127.36 2crr h SER 140 Ca -0.40 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2crr h SER 140 Cb 1.22 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2crr h SER 140 CO 0.97 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.52