#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr6 n SER 2 N 0.00 -3.21 -1.73 1.61 3.41 -1.26 -4.82 113.62 107.62 2cr6 n SER 2 Ca 0.00 -0.95 -0.13 0.00 -0.26 0.00 0.00 58.87 57.53 2cr6 n SER 2 Cb 0.00 -2.64 0.20 0.00 -0.26 0.00 0.00 64.21 61.51 2cr6 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cr6 n SER 3 N -2.58 3.34 0.00 4.04 3.41 -1.26 -5.06 113.62 115.51 2cr6 n SER 3 Ca 0.08 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 2cr6 n SER 3 Cb 0.49 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2cr6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 4 N -1.02 -1.94 3.64 5.00 0.00 -1.26 -5.07 105.19 104.53 2cr6 n GLY 4 Ca 0.46 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2cr6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr6 s SER 5 N -4.81 -0.43 -0.13 1.61 1.04 -1.26 -5.16 113.70 104.56 2cr6 s SER 5 Ca 0.00 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.18 2cr6 s SER 5 Cb 0.00 0.88 0.06 0.00 0.10 0.00 0.00 66.02 67.06 2cr6 s SER 5 CO 0.00 -0.14 0.28 -0.44 0.98 0.00 0.00 173.24 173.92 2cr6 s SER 6 N 0.40 0.21 0.00 7.02 0.01 -1.26 -5.11 113.70 114.97 2cr6 s SER 6 Ca 0.01 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2cr6 s SER 6 Cb -0.05 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2cr6 s SER 6 CO -0.08 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2cr6 n GLY 7 N 5.19 3.48 3.44 3.44 0.00 -1.26 -5.17 105.19 114.31 2cr6 n GLY 7 Ca -0.09 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2cr6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr6 s LEU 8 N 0.00 2.52 -0.09 0.99 1.43 -1.26 -5.14 118.68 117.13 2cr6 s LEU 8 Ca 0.00 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2cr6 s LEU 8 Cb 0.00 -1.10 0.05 0.00 0.03 0.00 0.00 46.19 45.16 2cr6 s LEU 8 CO 0.00 0.06 0.19 -0.69 0.23 0.00 0.00 176.35 176.14 2cr6 s VAL 9 N -2.15 -0.15 0.64 -1.59 1.01 -1.26 -5.16 120.40 111.74 2cr6 s VAL 9 Ca 0.25 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 2cr6 s VAL 9 Cb -0.06 -0.31 0.16 0.00 0.00 0.00 0.00 36.38 36.17 2cr6 s VAL 9 CO 0.12 0.09 0.46 0.00 0.00 0.00 0.00 175.10 175.78 2cr6 n GLN 10 N 4.63 -2.68 0.00 2.72 -0.00 -1.26 -4.94 117.38 115.85 2cr6 n GLN 10 Ca -0.18 -0.76 0.00 0.00 -0.00 0.00 0.00 57.00 56.06 2cr6 n GLN 10 Cb 0.51 -0.83 0.00 0.00 -0.00 0.00 0.00 30.24 29.92 2cr6 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cr6 n GLY 11 N -1.82 0.23 2.74 2.61 0.00 -1.26 -4.89 105.19 102.80 2cr6 n GLY 11 Ca 0.07 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr6 n ARG 12 N 0.00 2.54 -2.21 1.61 5.12 -1.26 -4.94 116.66 117.53 2cr6 n ARG 12 Ca 0.00 -2.19 -0.41 0.00 -1.93 0.00 0.00 57.85 53.32 2cr6 n ARG 12 Cb 0.00 -3.01 -0.03 0.00 -1.16 0.00 0.00 32.46 28.26 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2cr6 s ARG 13 N 3.54 4.41 0.14 5.56 3.00 -1.26 -4.92 118.95 129.42 2cr6 s ARG 13 Ca 0.53 2.10 -0.27 0.00 -1.00 0.00 0.00 55.73 57.09 2cr6 s ARG 13 Cb 0.14 -3.13 -0.07 0.00 0.00 0.00 0.00 34.95 31.89 2cr6 s ARG 13 CO -0.02 -0.15 0.82 0.08 0.00 0.00 0.00 175.30 176.03 2cr6 s VAL 14 N -0.65 4.42 -0.23 7.11 1.01 -1.26 -4.64 120.40 126.16 2cr6 s VAL 14 Ca 0.51 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2cr6 s VAL 14 Cb -0.37 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 31.88 2cr6 s VAL 14 CO 0.45 0.45 -0.05 -1.00 0.00 0.00 0.00 175.10 174.96 2cr6 s HIS 15 N -0.74 2.28 -0.58 5.22 3.76 -1.03 -4.63 115.29 119.57 2cr6 s HIS 15 Ca 0.39 -1.67 -0.26 0.00 -0.15 0.00 0.00 55.06 53.37 2cr6 s HIS 15 Cb -0.23 -1.53 -0.09 0.00 1.11 0.00 0.00 32.58 31.83 2cr6 s HIS 15 CO 0.27 -0.76 2.43 -0.89 -0.85 0.00 0.00 174.74 174.94 2cr6 n ILE 16 N 4.70 -0.07 0.18 0.60 2.08 -1.26 -2.22 119.36 123.38 2cr6 n ILE 16 Ca -0.12 -0.71 -0.08 0.00 0.56 0.00 0.00 62.75 62.41 2cr6 n ILE 16 Cb 0.44 -2.51 -0.04 0.00 -0.75 0.00 0.00 39.64 36.79 2cr6 n ILE 16 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2cr6 h ILE 17 N 7.71 0.00 -2.90 1.39 2.04 -1.01 -3.41 117.51 121.33 2cr6 h ILE 17 Ca -0.18 -0.44 -0.61 0.00 1.00 0.00 0.00 64.86 64.63 2cr6 h ILE 17 Cb 1.22 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.89 2cr6 h ILE 17 CO 1.14 0.00 -0.72 -1.61 0.00 0.00 0.00 178.15 176.96 2cr6 s GLU 18 N -3.28 1.72 0.93 2.37 2.02 0.84 -4.96 118.70 118.34 2cr6 s GLU 18 Ca -0.07 -2.62 -0.13 0.00 0.02 0.00 0.00 54.97 52.16 2cr6 s GLU 18 Cb 0.01 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.65 2cr6 s GLU 18 CO 0.22 -1.27 0.40 -3.47 0.02 0.00 0.00 175.26 171.17 2cr6 n ASP 19 N 2.69 -2.05 -3.66 -0.19 -0.08 -1.26 -1.25 116.55 110.75 2cr6 n ASP 19 Ca 0.18 0.36 -0.26 0.00 -1.51 0.00 0.00 54.79 53.56 2cr6 n ASP 19 Cb 0.38 -1.20 0.23 0.00 2.34 0.00 0.00 41.12 42.87 2cr6 n ASP 19 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cr6 n LEU 20 N -1.12 -1.14 0.00 -2.67 4.77 -1.26 -4.81 117.00 110.78 2cr6 n LEU 20 Ca 0.07 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2cr6 n LEU 20 Cb 0.53 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2cr6 n LEU 20 CO 0.51 -3.81 0.00 -1.84 -1.33 0.00 0.00 177.39 170.92 2cr6 n GLU 21 N -3.91 0.00 0.00 3.23 0.28 -1.26 -4.89 120.64 114.08 2cr6 n GLU 21 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2cr6 n GLU 21 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2cr6 n ASP 22 N -1.56 0.00 -3.75 -1.84 5.68 -1.26 -4.02 116.55 109.80 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2cr6 n ASP 22 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2cr6 s VAL 23 N -2.00 0.02 -0.27 2.12 1.01 -0.85 -4.97 120.40 115.47 2cr6 s VAL 23 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2cr6 s VAL 23 Cb 0.00 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 35.97 2cr6 s VAL 23 CO 0.00 -0.11 0.45 1.51 0.00 0.00 0.00 175.10 176.94 2cr6 s ASP 24 N -0.50 -0.19 0.13 3.32 -4.77 -1.25 -0.10 116.67 113.32 2cr6 s ASP 24 Ca -0.06 0.20 -0.11 0.00 -3.30 0.00 0.00 52.55 49.28 2cr6 s ASP 24 Cb -0.04 1.39 0.01 0.00 -1.09 0.00 0.00 42.92 43.19 2cr6 s ASP 24 CO 0.02 -0.31 0.30 0.68 0.70 0.00 0.00 175.17 176.56 2cr6 s VAL 25 N 2.63 0.09 0.38 2.11 -7.23 -1.17 -4.98 120.40 112.23 2cr6 s VAL 25 Ca 0.13 -1.07 -0.28 0.00 -1.81 0.00 0.00 61.98 58.95 2cr6 s VAL 25 Cb -0.14 -1.48 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 2cr6 s VAL 25 CO -0.21 -0.42 1.49 0.00 -0.31 0.00 0.00 175.10 175.65 2cr6 n GLN 26 N -0.17 2.68 -1.69 4.82 10.64 -1.26 -2.20 117.38 130.20 2cr6 n GLN 26 Ca -0.12 0.94 -0.38 0.00 -1.83 0.00 0.00 57.00 55.60 2cr6 n GLN 26 Cb 0.63 -2.67 0.05 0.00 -0.86 0.00 0.00 30.24 27.38 2cr6 n GLN 26 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2cr6 n GLU 27 N 0.45 1.36 0.00 2.61 -0.00 0.83 -2.65 120.64 123.24 2cr6 n GLU 27 Ca 0.01 0.51 0.00 0.00 -0.00 0.00 0.00 57.16 57.68 2cr6 n GLU 27 Cb 0.39 -2.39 0.00 0.00 -0.00 0.00 0.00 31.44 29.43 2cr6 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr6 n GLY 28 N 0.98 3.34 2.50 -1.84 0.00 -0.02 -4.57 105.19 105.57 2cr6 n GLY 28 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2cr6 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 29 N 0.03 0.30 -4.39 1.61 7.64 -1.08 -2.22 113.62 115.50 2cr6 n SER 29 Ca 0.00 -1.43 -0.38 0.00 1.01 0.00 0.00 58.87 58.07 2cr6 n SER 29 Cb 0.00 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 62.49 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr6 s SER 30 N -4.00 5.34 -0.14 6.43 0.01 -1.26 -2.86 113.70 117.23 2cr6 s SER 30 Ca 0.47 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.93 2cr6 s SER 30 Cb -0.02 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2cr6 s SER 30 CO 0.32 -0.21 0.35 0.00 0.41 0.00 0.00 173.24 174.12 2cr6 s ALA 31 N 1.55 3.57 -0.05 1.44 0.00 -1.11 -4.86 121.76 122.31 2cr6 s ALA 31 Ca 0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2cr6 s ALA 31 Cb -0.17 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 2cr6 s ALA 31 CO 0.04 0.10 0.37 0.99 0.00 0.00 0.00 175.76 177.26 2cr6 s THR 32 N 0.38 5.14 -0.35 0.00 2.01 -1.25 -2.12 115.64 119.44 2cr6 s THR 32 Ca 0.20 0.74 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 2cr6 s THR 32 Cb -0.14 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 68.82 2cr6 s THR 32 CO 0.06 0.53 0.18 -0.36 -0.69 0.00 0.00 174.62 174.35 2cr6 s PHE 33 N -0.69 1.18 0.22 4.92 0.08 -0.40 -4.88 117.98 118.41 2cr6 s PHE 33 Ca 0.22 -1.72 -0.14 0.00 0.12 0.00 0.00 56.93 55.41 2cr6 s PHE 33 Cb -0.15 -1.33 -0.08 0.00 -0.57 0.00 0.00 43.02 40.89 2cr6 s PHE 33 CO 0.11 -0.83 0.61 1.03 -0.10 0.00 0.00 175.22 176.04 2cr6 s ARG 34 N 1.18 3.96 -0.29 0.44 0.52 -1.26 -2.31 118.95 121.19 2cr6 s ARG 34 Ca 0.15 0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 55.74 2cr6 s ARG 34 Cb -0.21 -2.73 0.12 0.00 0.52 0.00 0.00 34.95 32.66 2cr6 s ARG 34 CO -0.11 0.35 0.72 0.00 0.02 0.00 0.00 175.30 176.28 2cr6 s ARG 36 N 2.48 3.43 -0.06 0.00 3.52 -0.38 -2.52 118.95 125.42 2cr6 s ARG 36 Ca -0.07 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2cr6 s ARG 36 Cb -0.09 -3.91 0.01 0.00 -1.56 0.00 0.00 34.95 29.39 2cr6 s ARG 36 CO -0.19 -0.98 -0.14 0.96 -0.81 0.00 0.00 175.30 174.14 2cr6 s ILE 37 N 2.98 1.25 0.22 4.11 -5.25 -0.96 -0.11 121.20 123.44 2cr6 s ILE 37 Ca 0.26 -0.58 -0.07 0.00 -0.99 0.00 0.00 60.65 59.28 2cr6 s ILE 37 Cb -0.13 -1.11 -0.06 0.00 2.95 0.00 0.00 42.46 44.11 2cr6 s ILE 37 CO 0.19 0.37 0.50 -0.55 -1.79 0.00 0.00 174.94 173.66 2cr6 s SER 38 N 0.39 6.53 1.08 4.36 0.15 -0.94 -4.15 113.70 121.10 2cr6 s SER 38 Ca -0.10 0.75 -0.15 0.00 0.70 0.00 0.00 55.95 57.15 2cr6 s SER 38 Cb -0.14 -2.16 0.23 0.00 -1.71 0.00 0.00 66.02 62.24 2cr6 s SER 38 CO 0.03 -0.07 1.10 -2.16 1.20 0.00 0.00 173.24 173.34 2cr6 s PRO 39 N -3.00 -0.20 0.00 5.44 0.04 -1.26 -2.47 135.00 133.55 2cr6 s PRO 39 Ca 0.44 0.30 0.26 0.00 0.04 0.00 0.00 61.00 62.05 2cr6 s PRO 39 Cb -0.11 -1.68 1.45 0.00 0.04 0.00 0.00 34.50 34.20 2cr6 s PRO 39 CO 0.25 -3.11 1.92 0.00 0.04 0.00 0.00 177.00 176.10 2cr6 n ALA 40 N -4.40 2.40 -1.88 8.56 0.00 -1.26 -3.05 120.51 120.88 2cr6 n ALA 40 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 2cr6 n ALA 40 Cb 0.58 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.72 2cr6 n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2cr6 n ASN 41 N -1.15 2.70 -4.74 0.00 0.23 -1.26 -3.51 115.26 107.53 2cr6 n ASN 41 Ca 0.16 -3.59 -0.39 0.00 -0.53 0.00 0.00 54.58 50.23 2cr6 n ASN 41 Cb 0.15 -0.44 -0.05 0.00 -2.08 0.00 0.00 39.78 37.35 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2cr6 s TYR 42 N -3.11 3.61 0.00 -2.53 6.14 -1.17 -5.03 117.35 115.26 2cr6 s TYR 42 Ca 0.41 1.14 0.00 0.00 0.64 0.00 0.00 57.07 59.27 2cr6 s TYR 42 Cb 0.38 -2.66 0.00 0.00 0.42 0.00 0.00 41.96 40.10 2cr6 s TYR 42 CO -0.04 0.22 0.00 -0.85 0.64 0.00 0.00 175.55 175.52 2cr6 n GLU 43 N 3.29 0.00 -1.09 4.97 0.28 -1.26 -4.72 120.64 122.10 2cr6 n GLU 43 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 2cr6 n GLU 43 Cb 0.51 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.61 2cr6 n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2cr6 s PRO 44 N -2.00 -1.03 0.09 3.44 0.04 -1.26 -5.17 135.00 129.11 2cr6 s PRO 44 Ca 0.00 0.00 0.10 0.00 0.04 0.00 0.00 61.00 61.14 2cr6 s PRO 44 Cb 0.00 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2cr6 s PRO 44 CO 0.00 -3.60 -0.25 0.14 0.04 0.00 0.00 177.00 173.34 2cr6 s VAL 45 N -3.00 2.36 -0.03 -0.36 -7.23 -1.26 -5.02 120.40 105.85 2cr6 s VAL 45 Ca 0.70 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2cr6 s VAL 45 Cb -0.11 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2cr6 s VAL 45 CO 0.56 0.21 0.01 -1.00 -0.31 0.00 0.00 175.10 174.57 2cr6 s HIS 46 N -0.97 3.12 -0.03 2.82 3.76 -1.09 -5.04 115.29 117.87 2cr6 s HIS 46 Ca 0.14 0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2cr6 s HIS 46 Cb -0.10 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.89 2cr6 s HIS 46 CO 0.05 0.47 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.81 2cr6 s TRP 47 N -1.02 0.45 0.19 1.40 0.52 -1.26 -1.63 118.94 117.58 2cr6 s TRP 47 Ca 0.18 -0.07 0.05 0.00 0.02 0.00 0.00 56.10 56.27 2cr6 s TRP 47 Cb -0.11 -0.45 -0.05 0.00 -1.15 0.00 0.00 33.47 31.71 2cr6 s TRP 47 CO 0.08 -0.12 -0.08 -0.06 0.02 0.00 0.00 176.95 176.79 2cr6 s PHE 48 N 0.74 1.44 -0.25 -1.98 0.40 -1.15 -0.35 117.98 116.84 2cr6 s PHE 48 Ca -0.08 -0.78 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 2cr6 s PHE 48 Cb -0.11 -0.76 0.09 0.00 0.51 0.00 0.00 43.02 42.74 2cr6 s PHE 48 CO -0.01 0.10 0.11 -1.17 0.70 0.00 0.00 175.22 174.95 2cr6 s LEU 49 N -3.24 0.69 0.00 -0.37 1.98 -0.22 -0.26 118.68 117.26 2cr6 s LEU 49 Ca 0.21 -1.12 0.00 0.00 -2.89 0.00 0.00 54.13 50.34 2cr6 s LEU 49 Cb 0.03 -0.39 0.00 0.00 0.66 0.00 0.00 46.19 46.49 2cr6 s LEU 49 CO 0.04 -0.41 0.00 0.47 -1.89 0.00 0.00 176.35 174.57 2cr6 n ASP 50 N 5.21 0.00 -2.74 3.68 9.92 -1.06 -2.28 116.55 129.28 2cr6 n ASP 50 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 2cr6 n ASP 50 Cb 0.44 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.02 2cr6 n ASP 50 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.50 -3.70 -1.24 -0.00 -1.26 -4.99 118.16 108.46 2cr6 n LYS 51 Ca 0.00 -2.16 -0.11 0.00 -0.00 0.00 0.00 58.31 56.04 2cr6 n LYS 51 Cb 0.00 -0.40 -0.11 0.00 -0.00 0.00 0.00 35.03 34.51 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2cr6 s THR 52 N -1.45 -0.03 0.65 0.58 2.01 -0.97 -5.16 115.64 111.28 2cr6 s THR 52 Ca 0.17 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 2cr6 s THR 52 Cb 0.40 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 72.35 2cr6 s THR 52 CO -0.09 0.04 1.11 -2.16 -0.69 0.00 0.00 174.62 172.83 2cr6 s PRO 53 N 1.33 2.82 -0.02 4.92 0.04 -1.26 -1.05 135.00 141.77 2cr6 s PRO 53 Ca -0.09 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.38 2cr6 s PRO 53 Cb -0.09 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 2cr6 s PRO 53 CO -0.11 -1.24 -0.11 -0.51 0.04 0.00 0.00 177.00 175.07 2cr6 s LEU 54 N -4.83 1.86 0.01 -3.56 1.43 0.53 -4.87 118.68 109.26 2cr6 s LEU 54 Ca 0.67 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2cr6 s LEU 54 Cb -0.21 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 2cr6 s LEU 54 CO 0.41 0.10 -0.02 -1.00 0.23 0.00 0.00 176.35 176.07 2cr6 s HIS 55 N 0.06 0.16 0.15 0.29 3.76 -1.26 -4.19 115.29 114.26 2cr6 s HIS 55 Ca -0.01 -0.17 -0.34 0.00 -0.15 0.00 0.00 55.06 54.38 2cr6 s HIS 55 Cb -0.08 -0.11 -0.15 0.00 1.11 0.00 0.00 32.58 33.35 2cr6 s HIS 55 CO 0.00 -0.05 1.47 0.00 -0.85 0.00 0.00 174.74 175.31 2cr6 n ALA 56 N 2.60 0.56 -3.00 -1.40 0.00 -1.26 -4.59 120.51 113.42 2cr6 n ALA 56 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2cr6 n ALA 56 Cb 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2cr6 n ALA 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2cr6 n ASN 57 N 2.93 0.00 -0.12 0.00 4.05 0.03 -4.90 115.26 117.25 2cr6 n ASN 57 Ca 0.17 -0.90 0.26 0.00 0.45 0.00 0.00 54.58 54.56 2cr6 n ASN 57 Cb 0.26 0.00 0.72 0.00 1.23 0.00 0.00 39.78 41.99 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 2cr6 h GLU 58 N 0.00 0.00 0.00 1.20 4.81 -2.02 -2.96 114.58 115.60 2cr6 h GLU 58 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2cr6 h GLU 58 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2cr6 h GLU 58 CO 0.00 0.00 -2.04 1.28 -0.73 0.00 0.00 179.01 177.52 2cr6 n LEU 59 N -4.27 1.93 -4.74 1.64 4.77 -1.26 -4.98 117.00 110.09 2cr6 n LEU 59 Ca 0.16 0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 2cr6 n LEU 59 Cb 0.85 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2cr6 n LEU 59 CO 0.38 0.54 0.93 0.20 -1.33 0.00 0.00 177.39 178.10 2cr6 s ASN 60 N -6.35 7.00 -0.07 -1.43 -0.87 -1.12 -2.56 114.94 109.54 2cr6 s ASN 60 Ca -0.26 2.33 0.01 0.00 -1.57 0.00 0.00 52.86 53.37 2cr6 s ASN 60 Cb 0.09 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2cr6 s ASN 60 CO 0.36 -0.43 -0.06 -0.70 -2.57 0.00 0.00 177.10 173.69 2cr6 s GLU 61 N -0.35 1.16 -0.37 -0.60 -6.30 -1.08 -0.79 118.70 110.37 2cr6 s GLU 61 Ca 0.54 -0.17 0.01 0.00 -2.50 0.00 0.00 54.97 52.84 2cr6 s GLU 61 Cb -0.35 -1.18 0.12 0.00 0.00 0.00 0.00 34.13 32.72 2cr6 s GLU 61 CO 0.39 -0.14 0.16 0.42 0.02 0.00 0.00 175.26 176.11 2cr6 s ILE 62 N 1.25 1.11 0.74 -3.70 1.01 -1.26 -0.12 121.20 120.23 2cr6 s ILE 62 Ca -0.05 -1.96 -0.09 0.00 0.00 0.00 0.00 60.65 58.55 2cr6 s ILE 62 Cb -0.14 -1.81 0.16 0.00 0.01 0.00 0.00 42.46 40.69 2cr6 s ILE 62 CO -0.02 -0.79 1.01 0.47 0.00 0.00 0.00 174.94 175.61 2cr6 n ASP 63 N 4.20 0.43 -3.06 3.58 8.00 0.03 -4.95 116.55 124.79 2cr6 n ASP 63 Ca 0.04 -1.58 -0.19 0.00 0.71 0.00 0.00 54.79 53.77 2cr6 n ASP 63 Cb 0.38 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr6 n ALA 64 N -3.45 1.29 -0.80 2.24 0.00 -1.26 -3.39 120.51 115.15 2cr6 n ALA 64 Ca -0.16 -2.82 -0.33 0.00 0.00 0.00 0.00 53.44 50.13 2cr6 n ALA 64 Cb 0.48 -0.97 0.12 0.00 0.00 0.00 0.00 19.45 19.08 2cr6 n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cr6 n GLN 65 N 1.33 -0.36 -2.24 0.00 6.02 0.76 -4.82 117.38 118.06 2cr6 n GLN 65 Ca 0.18 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2cr6 n GLN 65 Cb 0.57 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2cr6 n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cr6 s PRO 66 N -3.56 4.44 0.00 -1.09 0.04 -1.26 -2.73 135.00 130.83 2cr6 s PRO 66 Ca 0.56 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2cr6 s PRO 66 Cb -0.20 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2cr6 s PRO 66 CO 0.68 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.01 2cr6 n GLY 67 N 1.56 0.91 2.17 0.56 0.00 -1.26 -4.29 105.19 104.84 2cr6 n GLY 67 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2cr6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr6 n GLY 68 N -2.14 0.21 3.32 -0.02 0.00 -1.23 -4.80 105.19 100.54 2cr6 n GLY 68 Ca 0.00 -0.50 -0.46 0.00 0.00 0.00 0.00 46.02 45.06 2cr6 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr6 s TYR 69 N -2.64 3.37 -0.43 1.61 1.51 -1.11 -2.27 117.35 117.39 2cr6 s TYR 69 Ca 0.08 -1.47 -0.23 0.00 -1.01 0.00 0.00 57.07 54.43 2cr6 s TYR 69 Cb -0.03 -3.83 0.02 0.00 -0.11 0.00 0.00 41.96 38.01 2cr6 s TYR 69 CO 0.09 -1.04 0.80 -1.01 -1.11 0.00 0.00 175.55 173.29 2cr6 s HIS 70 N 1.30 3.01 -0.18 2.71 3.76 -1.05 -0.17 115.29 124.67 2cr6 s HIS 70 Ca 0.09 0.28 -0.09 0.00 -0.15 0.00 0.00 55.06 55.19 2cr6 s HIS 70 Cb -0.23 -3.65 -0.05 0.00 1.11 0.00 0.00 32.58 29.76 2cr6 s HIS 70 CO -0.00 -0.95 0.11 0.08 -0.85 0.00 0.00 174.74 173.13 2cr6 s VAL 71 N 3.32 5.26 -0.23 -0.90 1.01 -1.22 -2.85 120.40 124.79 2cr6 s VAL 71 Ca 0.31 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2cr6 s VAL 71 Cb -0.12 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.93 2cr6 s VAL 71 CO 0.22 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.46 2cr6 s LEU 72 N 0.05 2.90 -0.79 3.92 2.96 -0.98 -0.79 118.68 125.96 2cr6 s LEU 72 Ca 0.08 -0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 52.96 2cr6 s LEU 72 Cb -0.11 -1.56 0.20 0.00 0.50 0.00 0.00 46.19 45.22 2cr6 s LEU 72 CO -0.00 -0.10 0.66 -0.89 -1.32 0.00 0.00 176.35 174.70 2cr6 s THR 73 N 1.23 4.38 -0.84 3.68 2.01 0.83 -1.27 115.64 125.66 2cr6 s THR 73 Ca -0.01 -3.29 -0.25 0.00 0.31 0.00 0.00 61.69 58.45 2cr6 s THR 73 Cb -0.17 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2cr6 s THR 73 CO -0.08 -1.00 1.64 -0.76 -0.69 0.00 0.00 174.62 173.73 2cr6 s LEU 74 N -0.63 3.29 0.49 4.42 1.43 -0.90 -2.64 118.68 124.15 2cr6 s LEU 74 Ca 0.22 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 2cr6 s LEU 74 Cb -0.13 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 2cr6 s LEU 74 CO -0.08 -2.11 0.94 -0.13 0.23 0.00 0.00 176.35 175.20 2cr6 s ARG 75 N 6.14 3.90 -0.97 1.70 0.52 -1.06 -2.73 118.95 126.45 2cr6 s ARG 75 Ca 0.55 0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 56.54 2cr6 s ARG 75 Cb -0.06 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2cr6 s ARG 75 CO 0.05 -0.23 0.84 1.04 0.02 0.00 0.00 175.30 177.02 2cr6 n GLN 76 N -1.56 -1.88 -1.62 3.54 6.02 -0.94 -4.64 117.38 116.29 2cr6 n GLN 76 Ca 0.06 1.01 -0.19 0.00 -0.01 0.00 0.00 57.00 57.86 2cr6 n GLN 76 Cb 0.54 -5.59 0.12 0.00 1.02 0.00 0.00 30.24 26.33 2cr6 n GLN 76 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cr6 n LEU 77 N -2.89 0.00 -3.75 1.08 4.77 -1.18 -2.55 117.00 112.47 2cr6 n LEU 77 Ca -0.06 -1.24 -0.11 0.00 -0.03 0.00 0.00 56.01 54.57 2cr6 n LEU 77 Cb 0.58 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2cr6 n LEU 77 CO 0.58 -1.06 0.03 0.00 -1.33 0.00 0.00 177.39 175.61 2cr6 s ALA 78 N -3.63 -0.67 0.47 -1.18 0.00 -1.26 -0.84 121.76 114.66 2cr6 s ALA 78 Ca 0.52 -0.03 0.39 0.00 0.00 0.00 0.00 51.96 52.83 2cr6 s ALA 78 Cb -0.02 0.35 2.12 0.00 0.00 0.00 0.00 23.12 25.57 2cr6 s ALA 78 CO 0.36 -0.43 2.19 -0.07 0.00 0.00 0.00 175.76 177.81 2cr6 h LEU 79 N 3.15 0.00 -2.46 0.00 3.38 -1.86 0.85 115.31 118.36 2cr6 h LEU 79 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2cr6 h LEU 79 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2cr6 h LEU 79 CO 0.47 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.29 2cr6 n LYS 80 N -2.88 3.24 -0.01 1.13 0.00 -1.26 -3.75 118.16 114.64 2cr6 n LYS 80 Ca -0.03 -1.89 0.05 0.00 -0.00 0.00 0.00 58.31 56.45 2cr6 n LYS 80 Cb 0.07 -1.90 -0.08 0.00 -0.00 0.00 0.00 35.03 33.11 2cr6 n LYS 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2cr6 n ASP 81 N 0.43 2.50 -4.48 -5.58 2.03 0.29 -4.97 116.55 106.78 2cr6 n ASP 81 Ca 0.17 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 55.01 2cr6 n ASP 81 Cb 0.78 1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 42.61 2cr6 n ASP 81 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2cr6 n SER 82 N -1.88 2.05 0.00 1.67 3.41 -1.25 -4.66 113.62 112.96 2cr6 n SER 82 Ca -0.02 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2cr6 n SER 82 Cb 0.29 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 83 N 6.41 2.00 3.18 5.00 0.00 -0.30 -4.98 105.19 116.50 2cr6 n GLY 83 Ca 0.42 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.60 2cr6 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr6 s THR 84 N 2.09 -0.98 -0.12 2.61 2.01 -1.26 -2.51 115.64 117.47 2cr6 s THR 84 Ca 0.00 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2cr6 s THR 84 Cb 0.00 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 2cr6 s THR 84 CO 0.00 -0.01 2.10 -0.63 -0.69 0.00 0.00 174.62 175.39 2cr6 s ILE 85 N 2.85 3.04 -1.01 1.82 -1.09 -0.81 -2.56 121.20 123.44 2cr6 s ILE 85 Ca 0.18 0.05 -0.09 0.00 -2.23 0.00 0.00 60.65 58.56 2cr6 s ILE 85 Cb -0.15 -3.05 0.25 0.00 -1.58 0.00 0.00 42.46 37.94 2cr6 s ILE 85 CO -0.21 -0.02 0.97 -0.31 -1.23 0.00 0.00 174.94 174.14 2cr6 s TYR 86 N 6.72 4.09 0.66 3.97 2.02 0.63 -2.65 117.35 132.79 2cr6 s TYR 86 Ca 0.95 -2.59 -0.17 0.00 -0.37 0.00 0.00 57.07 54.88 2cr6 s TYR 86 Cb -0.36 -3.73 0.00 0.00 -0.40 0.00 0.00 41.96 37.47 2cr6 s TYR 86 CO 0.37 -0.93 1.24 0.12 -1.57 0.00 0.00 175.55 174.79 2cr6 s PHE 87 N -0.93 2.14 -0.03 2.71 5.36 -1.17 -2.93 117.98 123.13 2cr6 s PHE 87 Ca 0.27 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.78 2cr6 s PHE 87 Cb -0.10 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 2cr6 s PHE 87 CO -0.09 -2.64 -0.01 -1.21 -1.46 0.00 0.00 175.22 169.81 2cr6 s GLU 88 N -3.56 0.34 -0.29 10.12 2.02 -0.65 -2.52 118.70 124.16 2cr6 s GLU 88 Ca 0.78 0.03 0.02 0.00 0.02 0.00 0.00 54.97 55.83 2cr6 s GLU 88 Cb -0.33 -0.47 0.20 0.00 0.10 0.00 0.00 34.13 33.62 2cr6 s GLU 88 CO 0.40 -0.10 0.69 0.00 0.02 0.00 0.00 175.26 176.27 2cr6 s ALA 89 N 0.85 -2.74 0.00 5.21 0.00 -1.25 -2.67 121.76 121.15 2cr6 s ALA 89 Ca -0.09 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2cr6 s ALA 89 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2cr6 s ALA 89 CO -0.01 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2cr6 n GLY 90 N 5.36 1.88 0.44 0.00 0.00 -1.26 -2.82 105.19 108.79 2cr6 n GLY 90 Ca 0.05 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cr6 n ASP 91 N 10.01 2.68 -4.52 1.61 8.00 -1.26 -5.00 116.55 128.08 2cr6 n ASP 91 Ca 0.00 -3.23 -0.27 0.00 0.71 0.00 0.00 54.79 52.00 2cr6 n ASP 91 Cb 0.00 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 2cr6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr6 n GLN 92 N -1.14 0.82 -3.27 -1.24 1.13 -1.13 -5.00 117.38 107.55 2cr6 n GLN 92 Ca 0.19 -3.30 0.03 0.00 -1.94 0.00 0.00 57.00 51.99 2cr6 n GLN 92 Cb 0.74 0.67 -0.03 0.00 0.11 0.00 0.00 30.24 31.73 2cr6 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2cr6 s ARG 93 N -3.84 0.21 0.71 -1.09 3.52 -1.26 -3.81 118.95 113.38 2cr6 s ARG 93 Ca 0.12 0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 56.14 2cr6 s ARG 93 Cb -0.01 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 2cr6 s ARG 93 CO 0.08 -0.12 1.00 0.00 -0.81 0.00 0.00 175.30 175.44 2cr6 s ALA 94 N 2.52 3.30 -0.29 6.12 0.00 -1.05 -4.90 121.76 127.46 2cr6 s ALA 94 Ca -0.01 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2cr6 s ALA 94 Cb -0.06 -2.41 0.18 0.00 0.00 0.00 0.00 23.12 20.83 2cr6 s ALA 94 CO -0.15 -1.35 0.57 -1.54 0.00 0.00 0.00 175.76 173.28 2cr6 s SER 95 N -4.58 -1.18 -0.00 0.00 1.04 -1.24 -3.05 113.70 104.68 2cr6 s SER 95 Ca 0.62 0.66 0.08 0.00 0.48 0.00 0.00 55.95 57.79 2cr6 s SER 95 Cb -0.09 1.99 -0.02 0.00 0.10 0.00 0.00 66.02 68.00 2cr6 s SER 95 CO 0.44 -0.27 -0.24 0.00 0.98 0.00 0.00 173.24 174.15 2cr6 s ALA 96 N 2.81 2.31 -0.64 5.32 0.00 -1.09 -4.84 121.76 125.63 2cr6 s ALA 96 Ca 0.18 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 2cr6 s ALA 96 Cb -0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2cr6 s ALA 96 CO -0.21 0.54 1.81 0.00 0.00 0.00 0.00 175.76 177.89 2cr6 s ALA 97 N -0.71 2.20 -0.84 0.00 0.00 -1.26 -1.92 121.76 119.23 2cr6 s ALA 97 Ca 0.11 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 2cr6 s ALA 97 Cb -0.10 -4.32 0.09 0.00 0.00 0.00 0.00 23.12 18.79 2cr6 s ALA 97 CO 0.01 -3.89 1.15 -1.17 0.00 0.00 0.00 175.76 171.85 2cr6 s LEU 98 N 8.80 4.35 -0.01 0.00 2.96 -1.04 -2.00 118.68 131.73 2cr6 s LEU 98 Ca 0.64 -1.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 2cr6 s LEU 98 Cb -0.12 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2cr6 s LEU 98 CO 0.19 -1.35 0.32 -0.13 -1.32 0.00 0.00 176.35 174.06 2cr6 s ARG 99 N 3.88 3.72 -0.25 1.98 0.52 0.86 -1.15 118.95 128.51 2cr6 s ARG 99 Ca 0.32 0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.66 2cr6 s ARG 99 Cb -0.08 -3.14 0.12 0.00 0.52 0.00 0.00 34.95 32.37 2cr6 s ARG 99 CO -0.01 0.68 0.28 0.08 0.02 0.00 0.00 175.30 176.35 2cr6 s VAL 100 N -1.18 -0.41 0.57 3.52 1.01 -1.26 -3.03 120.40 119.63 2cr6 s VAL 100 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2cr6 s VAL 100 Cb -0.14 -0.85 0.13 0.00 0.00 0.00 0.00 36.38 35.51 2cr6 s VAL 100 CO 0.13 -0.32 0.78 0.35 0.00 0.00 0.00 175.10 176.05 2cr6 n THR 101 N 5.32 0.00 -0.99 3.92 -2.24 -0.94 -4.70 114.28 114.66 2cr6 n THR 101 Ca -0.04 -0.84 -0.28 0.00 -2.27 0.00 0.00 64.05 60.62 2cr6 n THR 101 Cb 0.48 -1.39 0.20 0.00 -2.10 0.00 0.00 70.33 67.52 2cr6 n THR 101 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr6 s GLU 102 N -4.59 -0.03 0.15 -0.78 2.02 -1.26 -0.12 118.70 114.09 2cr6 s GLU 102 Ca 0.47 0.58 0.08 0.00 0.02 0.00 0.00 54.97 56.13 2cr6 s GLU 102 Cb -0.02 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 2cr6 s GLU 102 CO 0.32 -3.06 -0.17 -1.59 0.02 0.00 0.00 175.26 170.78 2cr6 s LYS 103 N -4.82 1.21 -0.02 1.61 0.00 -1.26 -3.91 119.74 112.55 2cr6 s LYS 103 Ca 0.66 -1.36 -0.26 0.00 0.00 0.00 0.00 55.97 55.01 2cr6 s LYS 103 Cb -0.20 -1.23 -0.20 0.00 0.00 0.00 0.00 37.83 36.19 2cr6 s LYS 103 CO 0.60 0.25 1.27 -1.00 0.00 0.00 0.00 175.35 176.46 2cr6 h PRO 104 N 3.33 0.01 -6.34 1.78 0.13 -1.97 -3.45 132.00 125.49 2cr6 h PRO 104 Ca -0.42 -0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.02 2cr6 h PRO 104 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2cr6 h PRO 104 CO 0.51 0.49 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.89 2cr6 s SER 105 N -5.70 4.16 0.16 1.44 0.01 -1.26 -5.08 113.70 107.43 2cr6 s SER 105 Ca -0.16 -0.20 -0.33 0.00 1.31 0.00 0.00 55.95 56.57 2cr6 s SER 105 Cb 0.02 -0.89 -0.16 0.00 0.21 0.00 0.00 66.02 65.20 2cr6 s SER 105 CO 0.68 0.32 1.19 0.52 0.41 0.00 0.00 173.24 176.37 2cr6 n VAL 106 N 2.07 0.73 -3.15 3.43 0.31 -1.26 -4.95 118.33 115.50 2cr6 n VAL 106 Ca -0.17 -0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.04 2cr6 n VAL 106 Cb 0.52 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 2cr6 n VAL 106 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2cr6 s PHE 107 N -0.07 -0.02 0.08 3.52 5.36 -1.26 -5.13 117.98 120.45 2cr6 s PHE 107 Ca 0.75 0.02 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 2cr6 s PHE 107 Cb -0.87 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 2cr6 s PHE 107 CO 0.51 -0.01 0.07 -1.13 -1.46 0.00 0.00 175.22 173.20 2cr6 n SER 108 N 5.39 -0.17 -3.92 6.13 3.41 -1.26 -3.28 113.62 119.93 2cr6 n SER 108 Ca -0.09 -1.51 -0.27 0.00 -0.26 0.00 0.00 58.87 56.74 2cr6 n SER 108 Cb 0.55 0.39 0.21 0.00 -0.26 0.00 0.00 64.21 65.10 2cr6 n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cr6 n ARG 109 N -0.15 -2.68 -2.80 4.33 5.12 -1.06 -4.77 116.66 114.66 2cr6 n ARG 109 Ca 0.02 -0.78 -0.43 0.00 -1.93 0.00 0.00 57.85 54.73 2cr6 n ARG 109 Cb 0.14 -1.77 -0.04 0.00 -1.16 0.00 0.00 32.46 29.64 2cr6 n ARG 109 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2cr6 s SER 110 N -2.23 6.22 0.00 0.55 1.04 -1.26 -4.88 113.70 113.14 2cr6 s SER 110 Ca 0.55 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2cr6 s SER 110 Cb -0.13 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2cr6 s SER 110 CO 0.55 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2cr6 n GLY 111 N 5.28 -3.86 3.70 7.32 0.00 -1.26 -5.01 105.19 111.36 2cr6 n GLY 111 Ca -0.01 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2cr6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr6 s PRO 112 N -0.95 0.95 0.32 1.61 0.04 -1.26 -5.08 135.00 130.63 2cr6 s PRO 112 Ca 0.00 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 61.71 2cr6 s PRO 112 Cb 0.00 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.77 2cr6 s PRO 112 CO 0.00 -2.42 0.47 0.45 0.04 0.00 0.00 177.00 175.54 2cr6 n SER 113 N -3.99 -1.33 -4.47 6.66 2.88 -1.26 -5.10 113.62 107.01 2cr6 n SER 113 Ca 0.06 -2.65 -0.43 0.00 -1.33 0.00 0.00 58.87 54.52 2cr6 n SER 113 Cb 0.56 2.42 -0.03 0.00 -0.75 0.00 0.00 64.21 66.42 2cr6 n SER 113 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr6 s SER 114 N -2.92 6.55 0.00 -3.46 0.01 -1.26 -5.27 113.70 107.35 2cr6 s SER 114 Ca 0.24 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 55.69 2cr6 s SER 114 Cb -0.01 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2cr6 s SER 114 CO 0.17 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.24