#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 s SER 2 N 0.00 -0.22 -0.38 1.61 0.15 -1.26 -5.13 113.70 108.47 2cr4 s SER 2 Ca 0.00 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.95 2cr4 s SER 2 Cb 0.00 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2cr4 s SER 2 CO 0.00 -0.09 0.24 -0.44 1.20 0.00 0.00 173.24 174.16 2cr4 s SER 3 N 0.27 5.89 0.00 5.45 0.01 -1.26 -4.76 113.70 119.31 2cr4 s SER 3 Ca -0.01 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2cr4 s SER 3 Cb -0.03 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2cr4 s SER 3 CO -0.01 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2cr4 n GLY 4 N 5.07 0.00 2.59 3.44 0.00 -1.26 -5.10 105.19 109.93 2cr4 n GLY 4 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 2cr4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cr4 n SER 5 N 0.00 0.56 -4.51 1.61 3.41 -1.26 -4.80 113.62 108.63 2cr4 n SER 5 Ca 0.00 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 2cr4 n SER 5 Cb 0.00 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 2cr4 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr4 s SER 6 N 4.99 6.20 0.00 4.04 0.01 -1.26 -4.88 113.70 122.81 2cr4 s SER 6 Ca 0.96 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2cr4 s SER 6 Cb -1.17 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 62.57 2cr4 s SER 6 CO 0.51 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2cr4 n GLY 7 N 5.31 1.89 3.88 3.44 0.00 -1.26 -5.17 105.19 113.27 2cr4 n GLY 7 Ca 0.01 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N 1.92 3.14 -0.50 1.61 0.41 -1.26 -5.07 118.70 118.96 2cr4 s GLU 8 Ca 0.00 -0.86 0.08 0.00 -0.41 0.00 0.00 54.97 53.78 2cr4 s GLU 8 Cb 0.00 -2.73 0.29 0.00 -1.78 0.00 0.00 34.13 29.91 2cr4 s GLU 8 CO 0.00 0.45 0.72 -0.25 -0.49 0.00 0.00 175.26 175.69 2cr4 n ASP 9 N -0.95 2.25 -3.74 -0.19 8.00 -1.26 -4.98 116.55 115.68 2cr4 n ASP 9 Ca -0.08 -3.18 -0.36 0.00 0.71 0.00 0.00 54.79 51.87 2cr4 n ASP 9 Cb 0.56 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2cr4 n ASP 9 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cr4 n TYR 10 N 0.67 2.85 -0.04 1.24 4.01 -1.26 -4.67 117.16 119.96 2cr4 n TYR 10 Ca 0.27 -3.24 0.00 0.00 -0.16 0.00 0.00 57.90 54.77 2cr4 n TYR 10 Cb 0.49 -0.96 -0.11 0.00 -0.31 0.00 0.00 39.34 38.46 2cr4 n TYR 10 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2cr4 n GLU 11 N 1.06 1.14 -0.51 -0.72 0.28 -1.26 -4.47 120.64 116.16 2cr4 n GLU 11 Ca 0.28 -0.07 -0.09 0.00 -0.16 0.00 0.00 57.16 57.12 2cr4 n GLU 11 Cb 0.36 -1.34 0.05 0.00 1.43 0.00 0.00 31.44 31.94 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cr4 n LYS 12 N -2.25 1.46 -3.80 3.44 5.02 -1.26 -4.89 118.16 115.88 2cr4 n LYS 12 Ca -0.12 -1.04 -0.35 0.00 -2.02 0.00 0.00 58.31 54.77 2cr4 n LYS 12 Cb 0.66 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -1.25 5.37 -0.02 -0.18 -7.23 -1.26 -5.03 120.40 110.79 2cr4 s VAL 13 Ca 0.20 0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 60.30 2cr4 s VAL 13 Cb 0.16 -3.52 -0.18 0.00 0.56 0.00 0.00 36.38 33.40 2cr4 s VAL 13 CO 0.03 0.45 1.17 1.55 -0.31 0.00 0.00 175.10 177.99 2cr4 h PRO 14 N 4.32 -0.14 -3.86 4.82 0.13 -1.98 -3.42 132.00 131.87 2cr4 h PRO 14 Ca -0.51 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 2cr4 h PRO 14 Cb 1.21 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2cr4 h PRO 14 CO 0.64 0.29 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.43 2cr4 s LEU 15 N -9.24 2.57 0.82 1.56 2.01 -1.26 -4.90 118.68 110.24 2cr4 s LEU 15 Ca -0.15 -1.56 -0.11 0.00 0.01 0.00 0.00 54.13 52.33 2cr4 s LEU 15 Cb 0.01 -1.00 0.08 0.00 0.01 0.00 0.00 46.19 45.29 2cr4 s LEU 15 CO 0.60 -0.37 1.09 -2.16 1.01 0.00 0.00 176.35 176.52 2cr4 s PRO 16 N 1.50 1.89 -0.13 1.29 0.04 -1.26 -4.91 135.00 133.41 2cr4 s PRO 16 Ca 0.06 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2cr4 s PRO 16 Cb -0.18 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.66 2cr4 s PRO 16 CO -0.18 -1.86 1.41 0.09 0.04 0.00 0.00 177.00 176.50 2cr4 n ASN 17 N -3.66 3.82 -0.05 6.66 4.13 -1.26 -3.70 115.26 121.21 2cr4 n ASN 17 Ca 0.08 -2.50 -0.07 0.00 1.68 0.00 0.00 54.58 53.78 2cr4 n ASN 17 Cb 0.54 -0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 2cr4 n ASN 17 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2cr4 n SER 18 N 0.26 3.14 -0.08 6.41 7.64 -1.26 -4.70 113.62 125.02 2cr4 n SER 18 Ca 0.16 -0.04 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 2cr4 n SER 18 Cb 0.74 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2cr4 n SER 18 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2cr4 h VAL 19 N -0.02 1.14 -2.24 0.44 -1.51 -1.60 -3.41 116.25 109.05 2cr4 h VAL 19 Ca -0.21 -0.39 -0.55 0.00 -1.23 0.00 0.00 66.70 64.32 2cr4 h VAL 19 Cb 1.32 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2cr4 h VAL 19 CO -0.04 0.14 1.39 -0.36 -1.23 0.00 0.00 177.57 177.47 2cr4 s PHE 20 N -5.78 1.53 0.14 5.19 0.40 -1.25 -1.97 117.98 116.24 2cr4 s PHE 20 Ca -0.13 0.77 0.06 0.00 -0.60 0.00 0.00 56.93 57.03 2cr4 s PHE 20 Cb 0.09 -4.00 -0.04 0.00 0.51 0.00 0.00 43.02 39.58 2cr4 s PHE 20 CO 0.72 -3.03 0.00 0.54 0.70 0.00 0.00 175.22 174.15 2cr4 s VAL 21 N 8.38 3.86 -0.35 -0.44 0.11 0.07 -4.99 120.40 127.04 2cr4 s VAL 21 Ca 0.85 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2cr4 s VAL 21 Cb -0.22 -2.89 0.46 0.00 -1.53 0.00 0.00 36.38 32.19 2cr4 s VAL 21 CO 0.31 -0.00 1.50 -3.20 -3.33 0.00 0.00 175.10 170.38 2cr4 n ASN 22 N 0.19 3.65 -4.53 3.54 5.15 -1.26 -3.88 115.26 118.13 2cr4 n ASN 22 Ca -0.10 -2.90 -0.37 0.00 -0.60 0.00 0.00 54.58 50.60 2cr4 n ASN 22 Cb 0.54 -0.69 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2cr4 s THR 23 N -2.12 4.81 -0.40 -0.44 -1.32 -1.26 -4.94 115.64 109.97 2cr4 s THR 23 Ca 0.36 -0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.90 2cr4 s THR 23 Cb 0.30 -3.26 0.69 0.00 -1.51 0.00 0.00 72.50 68.71 2cr4 s THR 23 CO 0.08 0.31 1.86 0.35 -2.21 0.00 0.00 174.62 175.00 2cr4 n THR 24 N 4.89 3.06 -3.88 5.08 -2.24 -1.26 -3.29 114.28 116.64 2cr4 n THR 24 Ca -0.15 -1.76 -0.30 0.00 -2.27 0.00 0.00 64.05 59.57 2cr4 n THR 24 Cb 0.52 -0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.11 1.21 0.33 -0.78 0.41 -1.26 -4.91 118.70 110.59 2cr4 s GLU 25 Ca 0.55 -1.26 0.12 0.00 -0.41 0.00 0.00 54.97 53.97 2cr4 s GLU 25 Cb 0.45 -2.53 0.99 0.00 -1.78 0.00 0.00 34.13 31.27 2cr4 s GLU 25 CO 0.12 -0.84 1.68 0.77 -0.49 0.00 0.00 175.26 176.50 2cr4 h SER 26 N 7.92 0.53 -0.29 -0.19 0.02 -1.93 0.19 113.55 119.79 2cr4 h SER 26 Ca -0.12 0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2cr4 h SER 26 Cb 1.04 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2cr4 h SER 26 CO 0.46 -0.06 0.05 0.00 -1.14 0.00 0.00 176.83 176.14 2cr4 h GLU 28 N 0.16 -0.58 -0.93 0.00 4.57 -1.06 -1.86 114.58 114.88 2cr4 h GLU 28 Ca 0.13 0.04 0.27 0.00 -1.18 0.00 0.00 59.36 58.62 2cr4 h GLU 28 Cb 0.14 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 28.72 2cr4 h GLU 28 CO -0.18 -0.38 0.36 0.28 -1.18 0.00 0.00 179.01 177.90 2cr4 h VAL 29 N -0.60 0.30 -0.65 0.32 2.07 -1.27 0.42 116.25 116.85 2cr4 h VAL 29 Ca 0.02 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2cr4 h VAL 29 Cb 0.62 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2cr4 h VAL 29 CO -0.19 0.05 0.42 -0.08 0.02 0.00 0.00 177.57 177.78 2cr4 h GLU 30 N 0.25 0.80 0.08 1.57 4.81 -1.02 -1.81 114.58 119.27 2cr4 h GLU 30 Ca 0.62 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2cr4 h GLU 30 Cb 1.33 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2cr4 h GLU 30 CO -0.64 0.53 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.04 2cr4 h ARG 31 N 0.83 -0.11 -0.20 1.92 9.65 0.11 -3.25 114.38 123.34 2cr4 h ARG 31 Ca 0.25 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.19 2cr4 h ARG 31 Cb -0.03 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 2cr4 h ARG 31 CO -0.08 0.21 -0.42 -0.07 2.80 0.00 0.00 179.97 182.40 2cr4 h LEU 32 N -0.42 -1.33 -0.85 3.80 3.38 -0.91 -0.40 115.31 118.59 2cr4 h LEU 32 Ca -0.01 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2cr4 h LEU 32 Cb 0.36 0.55 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 2cr4 h LEU 32 CO 0.02 -0.41 -0.38 0.49 0.09 0.00 0.00 178.44 178.25 2cr4 n PHE 33 N -5.43 -0.10 0.01 1.13 3.01 -0.69 0.18 117.46 115.57 2cr4 n PHE 33 Ca -0.03 1.05 -0.02 0.00 1.01 0.00 0.00 57.45 59.46 2cr4 n PHE 33 Cb 0.36 -0.74 0.25 0.00 -0.01 0.00 0.00 39.48 39.34 2cr4 n PHE 33 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2cr4 h LYS 34 N 0.00 0.50 0.72 -1.08 1.57 -1.42 -2.91 116.57 113.96 2cr4 h LYS 34 Ca 0.25 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2cr4 h LYS 34 Cb 0.46 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2cr4 h LYS 34 CO -0.83 0.63 -0.34 0.00 -0.57 0.00 0.00 179.45 178.34 2cr4 h ALA 35 N 1.40 -0.96 0.00 3.86 0.00 0.36 -2.58 119.26 121.34 2cr4 h ALA 35 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2cr4 h ALA 35 Cb 0.50 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2cr4 h ALA 35 CO 0.03 -0.96 0.26 0.00 0.00 0.00 0.00 179.25 178.58 2cr4 h THR 36 N -1.11 0.00 -3.64 0.00 1.03 -0.34 -3.41 112.91 105.43 2cr4 h THR 36 Ca -0.10 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.79 2cr4 h THR 36 Cb 0.76 0.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.52 2cr4 h THR 36 CO 0.16 0.00 0.36 -0.44 -0.01 0.00 0.00 175.52 175.59 2cr4 s SER 37 N -4.49 7.54 0.33 0.00 0.01 -0.97 -4.94 113.70 111.19 2cr4 s SER 37 Ca -0.03 1.87 0.26 0.00 1.31 0.00 0.00 55.95 59.35 2cr4 s SER 37 Cb 0.09 -2.60 1.09 0.00 0.21 0.00 0.00 66.02 64.81 2cr4 s SER 37 CO 0.29 0.01 1.78 1.55 0.41 0.00 0.00 173.24 177.28 2cr4 h PRO 38 N 5.01 0.00 -0.14 12.44 0.13 -1.83 -2.73 132.00 144.88 2cr4 h PRO 38 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2cr4 h PRO 38 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2cr4 h PRO 38 CO 0.70 0.00 -0.18 0.54 -0.23 0.00 0.00 178.00 178.83 2cr4 n ARG 39 N -2.45 1.79 -2.38 0.86 1.74 -1.26 -4.95 116.66 110.01 2cr4 n ARG 39 Ca 0.02 -3.03 -0.09 0.00 -0.77 0.00 0.00 57.85 53.98 2cr4 n ARG 39 Cb 0.24 -1.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cr4 n GLY 40 N -1.11 -0.41 3.34 -0.13 0.00 -1.03 -4.90 105.19 100.95 2cr4 n GLY 40 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -4.88 0.37 0.84 1.61 -1.05 -1.24 -4.81 118.70 109.55 2cr4 s GLU 41 Ca 0.00 1.12 -0.11 0.00 -0.15 0.00 0.00 54.97 55.83 2cr4 s GLU 41 Cb 0.00 0.44 0.10 0.00 -0.44 0.00 0.00 34.13 34.23 2cr4 s GLU 41 CO 0.00 -0.24 1.09 -1.25 0.95 0.00 0.00 175.26 175.81 2cr4 s PRO 42 N 2.67 1.72 0.13 -4.83 0.04 -1.26 -4.84 135.00 128.63 2cr4 s PRO 42 Ca -0.03 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.03 2cr4 s PRO 42 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2cr4 s PRO 42 CO -0.14 -1.96 0.20 -0.65 0.04 0.00 0.00 177.00 174.48 2cr4 s GLN 43 N -4.92 3.18 0.07 4.56 -1.52 -1.26 -5.02 119.66 114.76 2cr4 s GLN 43 Ca 0.62 -0.68 -0.33 0.00 -1.95 0.00 0.00 55.36 53.02 2cr4 s GLN 43 Cb -0.18 -2.84 -0.12 0.00 -0.22 0.00 0.00 33.01 29.66 2cr4 s GLN 43 CO 0.57 0.53 1.78 -3.47 -0.25 0.00 0.00 175.29 174.44 2cr4 n ASP 44 N -0.25 3.63 0.00 5.90 2.03 -1.26 -1.82 116.55 124.78 2cr4 n ASP 44 Ca -0.07 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2cr4 n ASP 44 Cb 0.54 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr4 n GLY 45 N 4.07 0.82 3.54 0.27 0.00 -1.25 -4.68 105.19 107.95 2cr4 n GLY 45 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 2.35 -4.58 0.99 7.94 -0.76 -3.42 117.00 119.52 2cr4 n LEU 46 Ca 0.00 -0.08 -0.25 0.00 -1.11 0.00 0.00 56.01 54.57 2cr4 n LEU 46 Cb 0.00 -1.45 -0.09 0.00 0.53 0.00 0.00 43.42 42.40 2cr4 n LEU 46 CO 0.00 -1.10 -0.36 -0.72 -1.11 0.00 0.00 177.39 174.11 2cr4 s TYR 47 N 9.95 2.48 0.17 1.96 1.13 -0.76 0.90 117.35 133.18 2cr4 s TYR 47 Ca 1.05 -0.42 -0.10 0.00 -1.41 0.00 0.00 57.07 56.20 2cr4 s TYR 47 Cb -0.45 -1.35 0.04 0.00 -1.10 0.00 0.00 41.96 39.10 2cr4 s TYR 47 CO 0.35 0.56 0.48 0.00 -2.51 0.00 0.00 175.55 174.44 2cr4 s ILE 49 N -2.42 0.11 0.48 0.00 1.01 -0.83 -2.04 121.20 117.50 2cr4 s ILE 49 Ca 0.10 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2cr4 s ILE 49 Cb -0.02 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.84 2cr4 s ILE 49 CO 0.05 -0.12 0.34 0.00 0.00 0.00 0.00 174.94 175.21 2cr4 s ARG 50 N 2.06 2.33 0.07 2.79 1.70 -1.03 -0.75 118.95 126.12 2cr4 s ARG 50 Ca 0.02 -1.85 -0.01 0.00 -0.47 0.00 0.00 55.73 53.43 2cr4 s ARG 50 Cb -0.15 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.04 2cr4 s ARG 50 CO -0.07 -0.38 0.23 -0.80 -1.08 0.00 0.00 175.30 173.21 2cr4 s ASN 51 N -4.14 6.38 -0.06 -2.89 0.01 -1.21 -0.43 114.94 112.60 2cr4 s ASN 51 Ca 0.39 0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 52.84 2cr4 s ASN 51 Cb -0.01 -1.98 0.04 0.00 0.41 0.00 0.00 41.25 39.71 2cr4 s ASN 51 CO 0.23 0.16 0.12 -0.55 -1.51 0.00 0.00 177.10 175.55 2cr4 s SER 52 N -2.47 0.51 -0.68 -1.22 0.15 -1.21 -4.12 113.70 104.66 2cr4 s SER 52 Ca 0.36 0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.98 2cr4 s SER 52 Cb -0.13 0.12 -0.24 0.00 -1.71 0.00 0.00 66.02 64.07 2cr4 s SER 52 CO 0.27 -0.20 1.86 -1.20 1.20 0.00 0.00 173.24 175.17 2cr4 n SER 53 N 4.87 1.84 -3.69 5.45 7.64 -1.26 -4.22 113.62 124.25 2cr4 n SER 53 Ca -0.13 -2.58 -0.14 0.00 1.01 0.00 0.00 58.87 57.03 2cr4 n SER 53 Cb 0.50 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 2cr4 n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2cr4 s THR 54 N 9.88 0.01 0.28 0.44 2.01 -1.26 -5.03 115.64 121.98 2cr4 s THR 54 Ca 0.69 -0.09 0.15 0.00 0.31 0.00 0.00 61.69 62.75 2cr4 s THR 54 Cb 0.07 -0.72 0.28 0.00 0.01 0.00 0.00 72.50 72.14 2cr4 s THR 54 CO 0.22 -0.05 1.24 0.29 -0.69 0.00 0.00 174.62 175.62 2cr4 n LYS 55 N 2.26 -0.05 0.05 4.92 4.01 -1.26 -0.58 118.16 127.51 2cr4 n LYS 55 Ca -0.16 1.09 -0.03 0.00 -0.51 0.00 0.00 58.31 58.70 2cr4 n LYS 55 Cb 0.57 -1.93 -0.02 0.00 -0.51 0.00 0.00 35.03 33.13 2cr4 n LYS 55 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2cr4 h SER 56 N 0.00 -0.24 0.00 4.39 0.87 -1.90 -3.48 113.55 113.19 2cr4 h SER 56 Ca 0.65 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.22 2cr4 h SER 56 Cb 1.68 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2cr4 h SER 56 CO -0.62 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.17 2cr4 n GLY 57 N -1.10 0.12 3.38 5.77 0.00 0.25 -4.49 105.19 109.13 2cr4 n GLY 57 Ca -0.02 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cr4 n LYS 58 N 0.00 0.17 -3.73 1.61 4.76 -1.26 -3.29 118.16 116.41 2cr4 n LYS 58 Ca 0.00 0.09 -0.24 0.00 -2.87 0.00 0.00 58.31 55.29 2cr4 n LYS 58 Cb 0.00 -1.64 -0.17 0.00 -1.84 0.00 0.00 35.03 31.38 2cr4 n LYS 58 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cr4 s VAL 59 N -1.99 0.31 -0.14 -0.18 1.01 0.43 -2.46 120.40 117.38 2cr4 s VAL 59 Ca 0.61 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 2cr4 s VAL 59 Cb -0.33 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2cr4 s VAL 59 CO 0.63 0.08 1.55 -0.22 0.00 0.00 0.00 175.10 177.14 2cr4 s LEU 60 N 1.99 4.14 -0.21 3.92 2.96 0.72 -2.46 118.68 129.73 2cr4 s LEU 60 Ca 0.03 1.89 -0.01 0.00 -0.22 0.00 0.00 54.13 55.82 2cr4 s LEU 60 Cb -0.14 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.03 2cr4 s LEU 60 CO -0.06 -1.00 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.17 2cr4 s VAL 61 N 4.31 2.73 0.08 1.68 1.01 -0.87 -0.01 120.40 129.33 2cr4 s VAL 61 Ca 0.68 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2cr4 s VAL 61 Cb -0.28 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2cr4 s VAL 61 CO 0.26 0.40 0.01 -0.69 0.00 0.00 0.00 175.10 175.08 2cr4 s VAL 62 N 1.36 4.08 0.03 2.92 1.01 -1.26 -1.22 120.40 127.32 2cr4 s VAL 62 Ca 0.04 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 2cr4 s VAL 62 Cb -0.14 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 2cr4 s VAL 62 CO -0.07 0.13 0.58 0.86 0.00 0.00 0.00 175.10 176.60 2cr4 s TRP 63 N -1.31 3.73 -0.43 5.22 -0.11 0.26 -0.27 118.94 126.03 2cr4 s TRP 63 Ca 0.26 1.23 -0.10 0.00 1.22 0.00 0.00 56.10 58.71 2cr4 s TRP 63 Cb -0.12 -2.56 0.08 0.00 -1.50 0.00 0.00 33.47 29.37 2cr4 s TRP 63 CO 0.18 0.45 0.28 0.34 -4.62 0.00 0.00 176.95 173.57 2cr4 s ASP 64 N -0.55 5.67 0.21 5.86 -1.08 0.21 -3.89 116.67 123.10 2cr4 s ASP 64 Ca 0.30 -1.54 0.01 0.00 -0.52 0.00 0.00 52.55 50.81 2cr4 s ASP 64 Cb -0.19 -2.00 0.18 0.00 -1.46 0.00 0.00 42.92 39.45 2cr4 s ASP 64 CO 0.18 -0.56 1.52 -0.08 0.52 0.00 0.00 175.17 176.75 2cr4 h GLU 65 N 8.43 0.35 -0.13 4.34 4.22 -1.90 1.96 114.58 131.85 2cr4 h GLU 65 Ca -0.23 -0.24 -0.15 0.00 0.08 0.00 0.00 59.36 58.81 2cr4 h GLU 65 Cb 1.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2cr4 h GLU 65 CO 0.77 0.86 -0.57 1.79 -2.18 0.00 0.00 179.01 179.68 2cr4 h THR 66 N 0.26 1.35 -0.01 0.32 1.35 -1.95 -3.18 112.91 111.04 2cr4 h THR 66 Ca -0.01 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2cr4 h THR 66 Cb 1.15 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2cr4 h THR 66 CO 0.10 0.57 -0.27 -1.20 -0.25 0.00 0.00 175.52 174.47 2cr4 n SER 67 N -3.92 1.75 -3.90 5.36 7.64 -1.18 -4.99 113.62 114.37 2cr4 n SER 67 Ca -0.03 -1.37 -0.25 0.00 1.01 0.00 0.00 58.87 58.22 2cr4 n SER 67 Cb 0.61 0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N 0.07 -1.11 -3.60 6.43 5.15 0.66 -4.96 115.26 117.89 2cr4 n ASN 68 Ca 0.07 -0.94 -0.11 0.00 -0.60 0.00 0.00 54.58 53.00 2cr4 n ASN 68 Cb 0.35 -3.38 -0.04 0.00 -0.53 0.00 0.00 39.78 36.17 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2cr4 s LYS 69 N -6.42 1.09 0.39 1.20 -2.85 -0.52 -4.95 119.74 107.68 2cr4 s LYS 69 Ca 0.11 -0.63 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 2cr4 s LYS 69 Cb -0.06 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2cr4 s LYS 69 CO 0.87 -0.43 0.72 0.14 0.10 0.00 0.00 175.35 176.75 2cr4 s VAL 70 N -3.66 4.86 0.52 1.79 -7.23 -1.26 0.66 120.40 116.08 2cr4 s VAL 70 Ca 0.02 0.41 0.05 0.00 -1.81 0.00 0.00 61.98 60.65 2cr4 s VAL 70 Cb 0.01 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2cr4 s VAL 70 CO -0.11 -0.54 0.34 -0.13 -0.31 0.00 0.00 175.10 174.34 2cr4 s ARG 71 N -3.96 2.26 -0.15 4.82 1.81 0.62 -4.89 118.95 119.46 2cr4 s ARG 71 Ca 0.49 -2.03 -0.03 0.00 -1.72 0.00 0.00 55.73 52.44 2cr4 s ARG 71 Cb -0.10 -2.03 0.05 0.00 -0.45 0.00 0.00 34.95 32.41 2cr4 s ARG 71 CO 0.34 -0.53 0.04 0.54 -0.68 0.00 0.00 175.30 175.01 2cr4 s ASN 72 N -4.20 2.32 -0.41 0.23 2.20 -1.26 -4.03 114.94 109.80 2cr4 s ASN 72 Ca 0.32 -0.53 0.03 0.00 -0.94 0.00 0.00 52.86 51.74 2cr4 s ASN 72 Cb -0.01 -0.43 0.11 0.00 -2.00 0.00 0.00 41.25 38.92 2cr4 s ASN 72 CO 0.19 -0.29 0.15 -0.31 -2.94 0.00 0.00 177.10 173.91 2cr4 s TYR 73 N 1.98 3.05 0.21 1.54 2.02 0.98 -5.01 117.35 122.13 2cr4 s TYR 73 Ca 0.02 -2.81 -0.32 0.00 -0.37 0.00 0.00 57.07 53.58 2cr4 s TYR 73 Cb -0.15 -2.59 -0.13 0.00 -0.40 0.00 0.00 41.96 38.69 2cr4 s TYR 73 CO -0.07 -0.85 1.59 0.54 -1.57 0.00 0.00 175.55 175.19 2cr4 n ARG 74 N 3.86 2.41 -3.41 -0.62 1.74 -1.26 -0.20 116.66 119.18 2cr4 n ARG 74 Ca 0.04 0.86 -0.44 0.00 -0.77 0.00 0.00 57.85 57.55 2cr4 n ARG 74 Cb 0.38 -2.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.16 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2cr4 s ILE 75 N 0.63 5.50 0.51 0.55 1.01 -1.03 -4.43 121.20 123.94 2cr4 s ILE 75 Ca 0.73 -3.22 -0.22 0.00 0.00 0.00 0.00 60.65 57.94 2cr4 s ILE 75 Cb -0.59 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.47 2cr4 s ILE 75 CO 0.40 -1.11 1.25 -0.36 0.00 0.00 0.00 174.94 175.12 2cr4 s PHE 76 N -0.83 2.59 -0.37 3.97 0.08 -0.18 -4.51 117.98 118.74 2cr4 s PHE 76 Ca 0.26 1.47 -0.05 0.00 0.12 0.00 0.00 56.93 58.72 2cr4 s PHE 76 Cb -0.10 -3.56 0.07 0.00 -0.57 0.00 0.00 43.02 38.85 2cr4 s PHE 76 CO -0.09 -2.15 0.14 -2.00 -0.10 0.00 0.00 175.22 171.03 2cr4 s GLU 77 N -2.85 2.45 -0.03 0.44 2.12 -1.26 -1.67 118.70 117.90 2cr4 s GLU 77 Ca 0.68 -1.40 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2cr4 s GLU 77 Cb -0.34 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.55 2cr4 s GLU 77 CO 0.40 -0.81 -0.08 0.21 -0.54 0.00 0.00 175.26 174.43 2cr4 s LYS 78 N 1.32 0.91 -1.19 4.30 2.20 -1.08 -4.77 119.74 121.43 2cr4 s LYS 78 Ca 0.01 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2cr4 s LYS 78 Cb -0.21 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.25 2cr4 s LYS 78 CO 0.00 0.08 0.00 -0.25 -0.36 0.00 0.00 175.35 174.82 2cr4 n ASP 79 N 3.41 -3.96 -1.46 1.43 8.00 -1.26 0.38 116.55 123.08 2cr4 n ASP 79 Ca -0.19 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 2cr4 n ASP 79 Cb 0.54 -3.43 -0.01 0.00 -0.02 0.00 0.00 41.12 38.20 2cr4 n ASP 79 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2cr4 n SER 80 N -1.53 -4.11 -3.85 -2.24 2.88 -1.26 -5.01 113.62 98.50 2cr4 n SER 80 Ca -0.15 0.01 -0.23 0.00 -1.33 0.00 0.00 58.87 57.17 2cr4 n SER 80 Cb 0.58 -3.27 -0.17 0.00 -0.75 0.00 0.00 64.21 60.59 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cr4 s LYS 81 N -4.56 0.93 -0.05 -1.46 1.02 0.16 -4.57 119.74 111.21 2cr4 s LYS 81 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2cr4 s LYS 81 Cb 0.00 -1.08 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 2cr4 s LYS 81 CO 0.00 -0.21 1.48 -0.06 -0.92 0.00 0.00 175.35 175.64 2cr4 s PHE 82 N 1.52 2.50 0.09 3.18 0.08 -0.62 -2.64 117.98 122.09 2cr4 s PHE 82 Ca -0.01 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.64 2cr4 s PHE 82 Cb -0.13 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.53 2cr4 s PHE 82 CO -0.04 -2.91 -0.03 1.52 -0.10 0.00 0.00 175.22 173.66 2cr4 s TYR 83 N 3.25 0.78 0.00 0.36 -0.85 -0.67 -1.41 117.35 118.81 2cr4 s TYR 83 Ca 0.66 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 2cr4 s TYR 83 Cb -0.31 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 41.55 2cr4 s TYR 83 CO 0.25 -0.28 0.00 1.28 -1.52 0.00 0.00 175.55 175.28 2cr4 n LEU 84 N -0.01 0.98 -0.01 -3.49 4.77 -1.26 -1.01 117.00 116.96 2cr4 n LEU 84 Ca -0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2cr4 n LEU 84 Cb 0.61 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2cr4 n LEU 84 CO 0.30 0.16 -0.03 -0.33 -1.33 0.00 0.00 177.39 176.16 2cr4 h GLU 85 N 0.00 0.00 0.00 3.23 4.39 -1.91 -3.48 114.58 116.81 2cr4 h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cr4 h GLU 85 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2cr4 h GLU 85 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2cr4 n GLY 86 N 1.85 1.12 0.00 -3.84 0.00 -1.26 -4.95 105.19 98.12 2cr4 n GLY 86 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.00 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 1.57 -3.55 1.61 -0.00 -1.26 -4.85 120.64 114.15 2cr4 n GLU 87 Ca 0.00 -0.06 -0.41 0.00 -0.00 0.00 0.00 57.16 56.69 2cr4 n GLU 87 Cb 0.00 -1.15 -0.07 0.00 -0.00 0.00 0.00 31.44 30.22 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2cr4 s VAL 88 N -2.44 4.40 0.55 3.84 1.01 -1.26 -5.06 120.40 121.44 2cr4 s VAL 88 Ca -0.01 -2.34 0.04 0.00 0.00 0.00 0.00 61.98 59.67 2cr4 s VAL 88 Cb 0.07 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.65 2cr4 s VAL 88 CO 0.43 -0.87 0.31 -0.76 0.00 0.00 0.00 175.10 174.21 2cr4 s LEU 89 N 0.61 2.51 -0.16 3.92 1.02 -1.26 -4.14 118.68 121.17 2cr4 s LEU 89 Ca 0.12 -1.40 -0.05 0.00 0.02 0.00 0.00 54.13 52.83 2cr4 s LEU 89 Cb -0.20 -1.00 0.08 0.00 0.02 0.00 0.00 46.19 45.09 2cr4 s LEU 89 CO -0.04 -1.11 0.29 -0.36 0.02 0.00 0.00 176.35 175.16 2cr4 s PHE 90 N -2.83 -0.50 0.56 0.29 0.40 -0.50 -4.92 117.98 110.47 2cr4 s PHE 90 Ca 0.24 0.92 0.29 0.00 -0.60 0.00 0.00 56.93 57.79 2cr4 s PHE 90 Cb -0.02 -0.03 1.01 0.00 0.51 0.00 0.00 43.02 44.49 2cr4 s PHE 90 CO 0.15 -0.45 1.26 1.55 0.70 0.00 0.00 175.22 178.43 2cr4 n VAL 91 N 5.35 0.00 -3.61 -0.44 3.14 -1.26 -1.59 118.33 119.92 2cr4 n VAL 91 Ca -0.06 1.22 -0.16 0.00 -2.96 0.00 0.00 64.34 62.38 2cr4 n VAL 91 Cb 0.50 -2.16 -0.07 0.00 -1.06 0.00 0.00 33.84 31.05 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2cr4 s SER 92 N -3.51 -0.50 0.31 6.55 1.04 -1.26 -4.67 113.70 111.66 2cr4 s SER 92 Ca -0.03 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.00 2cr4 s SER 92 Cb 0.16 0.49 0.88 0.00 0.10 0.00 0.00 66.02 67.64 2cr4 s SER 92 CO 0.52 -0.54 1.67 0.58 0.98 0.00 0.00 173.24 176.45 2cr4 h VAL 93 N 3.34 0.36 -0.08 5.02 2.07 -1.93 -2.39 116.25 122.64 2cr4 h VAL 93 Ca -0.28 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2cr4 h VAL 93 Cb 1.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2cr4 h VAL 93 CO 0.38 0.06 -0.09 1.23 0.02 0.00 0.00 177.57 179.17 2cr4 h GLY 94 N 0.33 -1.87 -0.44 2.17 0.00 -1.93 0.05 103.07 101.37 2cr4 h GLY 94 Ca 0.63 0.85 0.16 0.00 0.00 0.00 0.00 47.33 48.98 2cr4 h GLY 94 CO -0.60 -0.67 -0.11 0.23 0.00 0.00 0.00 176.54 175.40 2cr4 h SER 95 N -0.06 -0.56 -0.14 0.19 0.87 -1.81 -0.51 113.55 111.54 2cr4 h SER 95 Ca 0.01 0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 2cr4 h SER 95 Cb 0.10 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 2cr4 h SER 95 CO -0.11 -0.22 -0.36 -0.03 -0.53 0.00 0.00 176.83 175.58 2cr4 h MET 96 N 0.04 -0.42 -0.60 2.24 4.05 -1.18 -0.03 114.93 119.02 2cr4 h MET 96 Ca 0.38 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.94 2cr4 h MET 96 Cb 0.62 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.43 2cr4 h MET 96 CO -0.73 -0.28 0.11 0.28 0.23 0.00 0.00 176.91 176.52 2cr4 h VAL 97 N -0.43 0.62 -0.23 -5.77 2.07 0.56 0.13 116.25 113.21 2cr4 h VAL 97 Ca 0.09 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2cr4 h VAL 97 Cb 0.58 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2cr4 h VAL 97 CO -0.38 0.04 0.09 -0.33 0.02 0.00 0.00 177.57 177.02 2cr4 h GLU 98 N 0.24 0.31 -0.12 1.57 5.08 -0.46 -1.07 114.58 120.13 2cr4 h GLU 98 Ca 0.31 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2cr4 h GLU 98 Cb 0.47 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2cr4 h GLU 98 CO -0.42 0.26 -0.15 1.25 -1.00 0.00 0.00 179.01 178.96 2cr4 h HIS 99 N 0.32 0.38 -0.20 4.33 2.76 0.11 -3.15 115.15 119.69 2cr4 h HIS 99 Ca 0.08 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 2cr4 h HIS 99 Cb 0.06 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2cr4 h HIS 99 CO 0.00 0.75 -0.12 1.88 -1.30 0.00 0.00 177.93 179.14 2cr4 h TYR 100 N -0.09 0.34 -0.52 5.26 0.05 -0.78 -1.87 116.97 119.37 2cr4 h TYR 100 Ca 0.02 -0.04 0.15 0.00 0.05 0.00 0.00 58.73 58.90 2cr4 h TYR 100 Cb 0.70 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 2cr4 h TYR 100 CO 0.09 0.44 0.96 0.45 -1.05 0.00 0.00 178.16 179.06 2cr4 h HIS 101 N 0.31 0.00 0.00 4.88 3.86 -1.16 0.17 115.15 123.20 2cr4 h HIS 101 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2cr4 h HIS 101 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2cr4 h HIS 101 CO 0.01 0.00 -0.91 -2.37 0.86 0.00 0.00 177.93 175.52 2cr4 n THR 102 N -3.03 0.00 -3.52 2.45 5.66 -1.02 -4.84 114.28 109.98 2cr4 n THR 102 Ca 0.11 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.70 2cr4 n THR 102 Cb 1.13 -0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 69.76 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2cr4 s HIS 103 N -1.85 3.60 0.31 1.09 4.02 0.58 -5.06 115.29 117.97 2cr4 s HIS 103 Ca 0.00 -2.38 -0.23 0.00 1.02 0.00 0.00 55.06 53.48 2cr4 s HIS 103 Cb 0.00 -3.51 -0.15 0.00 -1.02 0.00 0.00 32.58 27.90 2cr4 s HIS 103 CO 0.00 -0.91 0.25 1.55 1.02 0.00 0.00 174.74 176.65 2cr4 n VAL 104 N 3.67 1.14 -1.66 -0.90 3.14 -1.24 -4.42 118.33 118.06 2cr4 n VAL 104 Ca 0.11 -0.48 -0.33 0.00 -2.96 0.00 0.00 64.34 60.69 2cr4 n VAL 104 Cb 0.42 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.26 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 3.62 3.32 0.76 6.55 1.43 -0.47 -4.95 118.68 128.94 2cr4 s LEU 105 Ca 0.58 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 2cr4 s LEU 105 Cb -0.72 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.00 2cr4 s LEU 105 CO 0.57 -1.73 1.09 -2.16 0.23 0.00 0.00 176.35 174.36 2cr4 s PRO 106 N -4.23 2.32 -0.51 1.29 0.04 -1.26 -3.80 135.00 128.86 2cr4 s PRO 106 Ca 0.66 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2cr4 s PRO 106 Cb -0.20 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2cr4 s PRO 106 CO 0.44 -1.59 0.00 0.43 0.04 0.00 0.00 177.00 176.32 2cr4 n SER 107 N -3.38 -2.95 -2.01 6.66 7.64 -1.26 -4.99 113.62 113.33 2cr4 n SER 107 Ca 0.09 0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 2cr4 n SER 107 Cb 0.53 -1.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2cr4 n HIS 108 N -3.43 -1.64 -0.04 1.43 -0.00 -1.25 -5.10 115.22 105.20 2cr4 n HIS 108 Ca -0.06 -1.08 -0.08 0.00 -0.00 0.00 0.00 57.72 56.50 2cr4 n HIS 108 Cb 0.36 0.48 -0.03 0.00 -0.00 0.00 0.00 29.99 30.81 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.30 0.27 -2.85 1.57 10.64 -1.26 -4.88 117.38 120.58 2cr4 n GLN 109 Ca -0.04 0.11 -0.17 0.00 -1.83 0.00 0.00 57.00 55.08 2cr4 n GLN 109 Cb 0.33 -0.97 -0.00 0.00 -0.86 0.00 0.00 30.24 28.73 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2cr4 n SER 110 N -3.86 2.03 -4.28 2.61 7.64 -1.26 -4.91 113.62 111.59 2cr4 n SER 110 Ca -0.14 -3.06 -0.44 0.00 1.01 0.00 0.00 58.87 56.24 2cr4 n SER 110 Cb 0.40 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cr4 s LEU 111 N -2.98 6.22 0.37 -3.43 2.96 -1.26 -5.03 118.68 115.52 2cr4 s LEU 111 Ca 0.37 -2.25 0.08 0.00 -0.22 0.00 0.00 54.13 52.11 2cr4 s LEU 111 Cb 0.39 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2cr4 s LEU 111 CO -0.05 -0.68 0.17 -0.76 -1.32 0.00 0.00 176.35 173.71 2cr4 s LEU 112 N 0.87 3.20 -0.62 -0.68 1.43 -1.26 -1.37 118.68 120.25 2cr4 s LEU 112 Ca 0.10 -0.89 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 2cr4 s LEU 112 Cb -0.21 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.45 2cr4 s LEU 112 CO -0.03 -0.41 0.87 -0.76 0.23 0.00 0.00 176.35 176.25 2cr4 s LEU 113 N -3.88 4.67 -0.15 1.79 1.43 -1.26 -4.47 118.68 116.79 2cr4 s LEU 113 Ca 0.40 -1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 2cr4 s LEU 113 Cb -0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2cr4 s LEU 113 CO 0.23 -1.30 -0.22 0.54 0.23 0.00 0.00 176.35 175.82 2cr4 n ARG 114 N 7.23 0.48 -4.61 1.70 1.74 -1.22 -4.73 116.66 117.24 2cr4 n ARG 114 Ca -0.05 0.44 -0.24 0.00 -0.77 0.00 0.00 57.85 57.22 2cr4 n ARG 114 Cb 0.45 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.44 1.42 1.21 -1.55 3.76 -1.22 -5.04 115.29 111.43 2cr4 s HIS 115 Ca -0.19 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.06 2cr4 s HIS 115 Cb 0.03 -1.02 0.29 0.00 1.11 0.00 0.00 32.58 32.99 2cr4 s HIS 115 CO 0.29 -0.21 1.11 -1.25 -0.85 0.00 0.00 174.74 173.83 2cr4 s PRO 116 N 0.42 -1.29 0.21 8.40 0.04 -1.26 -1.83 135.00 139.68 2cr4 s PRO 116 Ca -0.10 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 60.77 2cr4 s PRO 116 Cb -0.13 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 2cr4 s PRO 116 CO 0.03 -3.75 0.49 -0.47 0.04 0.00 0.00 177.00 173.34 2cr4 s TYR 117 N -3.01 3.45 0.00 0.56 5.04 0.55 -4.30 117.35 119.63 2cr4 s TYR 117 Ca 0.71 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 2cr4 s TYR 117 Cb -0.09 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.06 2cr4 s TYR 117 CO 0.56 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.49 2cr4 n GLY 118 N -0.19 1.15 3.70 8.97 0.00 -1.26 -2.84 105.19 114.73 2cr4 n GLY 118 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 1.55 -4.38 1.61 9.36 -1.26 -5.03 117.16 119.00 2cr4 n TYR 119 Ca 0.00 0.41 -0.24 0.00 3.32 0.00 0.00 57.90 61.40 2cr4 n TYR 119 Cb 0.00 -2.18 -0.09 0.00 -0.63 0.00 0.00 39.34 36.44 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2cr4 s THR 120 N -1.76 2.88 -0.13 2.97 -1.32 -1.26 -4.95 115.64 112.07 2cr4 s THR 120 Ca 0.78 -2.15 -0.04 0.00 -1.21 0.00 0.00 61.69 59.08 2cr4 s THR 120 Cb -0.34 -2.60 0.06 0.00 -1.51 0.00 0.00 72.50 68.11 2cr4 s THR 120 CO 0.46 -0.36 0.13 -0.55 -2.21 0.00 0.00 174.62 172.09 2cr4 s SER 121 N -3.61 1.48 -0.08 8.08 0.15 -1.26 -4.99 113.70 113.47 2cr4 s SER 121 Ca 0.31 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 2cr4 s SER 121 Cb -0.05 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2cr4 s SER 121 CO 0.18 -0.30 0.08 0.61 1.20 0.00 0.00 173.24 175.00 2cr4 n GLY 122 N 5.30 -1.84 0.00 9.45 0.00 -1.26 -4.89 105.19 111.96 2cr4 n GLY 122 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2cr4 n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr4 n PRO 123 N -0.19 0.38 -2.97 1.61 -0.04 -1.26 -4.47 135.00 128.06 2cr4 n PRO 123 Ca 0.02 0.05 -0.44 0.00 -0.04 0.00 0.00 63.50 63.09 2cr4 n PRO 123 Cb 0.06 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2cr4 n PRO 123 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr4 s SER 124 N -2.21 6.49 -0.65 3.54 0.01 -1.26 -4.98 113.70 114.64 2cr4 s SER 124 Ca 0.20 -1.82 -0.12 0.00 1.31 0.00 0.00 55.95 55.53 2cr4 s SER 124 Cb 0.10 -2.37 0.17 0.00 0.21 0.00 0.00 66.02 64.13 2cr4 s SER 124 CO 0.20 -1.10 0.56 -0.44 0.41 0.00 0.00 173.24 172.87 2cr4 s SER 125 N 3.51 6.16 0.00 2.44 0.01 -1.26 -5.22 113.70 119.34 2cr4 s SER 125 Ca 0.26 -2.35 0.18 0.00 1.31 0.00 0.00 55.95 55.35 2cr4 s SER 125 Cb -0.10 -2.11 0.14 0.00 0.21 0.00 0.00 66.02 64.16 2cr4 s SER 125 CO -0.04 -0.63 1.05 0.61 0.41 0.00 0.00 173.24 174.65