#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 0.55 -0.10 1.61 1.04 -1.26 -5.16 113.70 110.39 2cr4 s SER 2 Ca 0.00 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.34 2cr4 s SER 2 Cb 0.00 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2cr4 s SER 2 CO 0.00 -0.64 -0.12 -0.94 0.98 0.00 0.00 173.24 172.53 2cr4 s SER 3 N -3.01 2.16 0.08 7.02 1.04 -1.26 -5.12 113.70 114.61 2cr4 s SER 3 Ca 0.16 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 2cr4 s SER 3 Cb 0.07 -0.93 0.01 0.00 0.10 0.00 0.00 66.02 65.27 2cr4 s SER 3 CO -0.03 -0.03 0.13 0.61 0.98 0.00 0.00 173.24 174.89 2cr4 n GLY 4 N 4.39 2.50 0.07 7.32 0.00 -1.26 -5.10 105.19 113.11 2cr4 n GLY 4 Ca -0.18 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 2cr4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr4 n SER 5 N -1.69 1.53 -4.73 1.61 7.64 -1.26 -4.95 113.62 111.77 2cr4 n SER 5 Ca -0.01 0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.78 2cr4 n SER 5 Cb 0.13 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.58 2cr4 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr4 s SER 6 N -5.48 7.37 0.00 6.43 0.15 -1.26 -4.68 113.70 116.23 2cr4 s SER 6 Ca -0.21 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2cr4 s SER 6 Cb 0.03 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2cr4 s SER 6 CO 0.31 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2cr4 n GLY 7 N 2.42 0.11 3.23 9.45 0.00 -1.26 -5.10 105.19 114.04 2cr4 n GLY 7 Ca 0.04 -0.41 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 2cr4 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr4 n GLU 8 N 0.00 0.00 -3.91 1.61 -0.58 -1.26 -4.92 120.64 111.58 2cr4 n GLU 8 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2cr4 n GLU 8 Cb 0.00 -0.95 -0.13 0.00 -0.57 0.00 0.00 31.44 29.79 2cr4 n GLU 8 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2cr4 s ASP 9 N -0.95 4.59 -0.04 1.62 1.47 -1.26 -4.93 116.67 117.17 2cr4 s ASP 9 Ca 0.61 -3.29 -0.29 0.00 1.18 0.00 0.00 52.55 50.76 2cr4 s ASP 9 Cb -0.88 -1.67 0.07 0.00 -0.34 0.00 0.00 42.92 40.10 2cr4 s ASP 9 CO 0.53 -0.19 0.64 -0.31 0.68 0.00 0.00 175.17 176.52 2cr4 s TYR 10 N -0.67 -0.61 -0.70 2.11 2.02 -1.26 -5.04 117.35 113.20 2cr4 s TYR 10 Ca 0.20 1.03 0.23 0.00 -0.37 0.00 0.00 57.07 58.16 2cr4 s TYR 10 Cb -0.18 0.38 0.10 0.00 -0.40 0.00 0.00 41.96 41.86 2cr4 s TYR 10 CO -0.06 -0.59 1.08 -0.85 -1.57 0.00 0.00 175.55 173.57 2cr4 n GLU 11 N 0.93 0.22 -0.19 -0.62 0.28 -1.26 -4.02 120.64 115.99 2cr4 n GLU 11 Ca -0.19 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.81 2cr4 n GLU 11 Cb 0.57 -1.58 0.08 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 -1.87 1.71 -3.71 3.44 5.02 -1.26 -4.85 118.16 116.64 2cr4 n LYS 12 Ca 0.03 -0.63 -0.37 0.00 -2.02 0.00 0.00 58.31 55.32 2cr4 n LYS 12 Cb 0.41 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.26 5.30 -0.02 -0.18 -7.23 -1.26 -5.02 120.40 110.73 2cr4 s VAL 13 Ca 0.11 0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 60.52 2cr4 s VAL 13 Cb 0.08 -3.54 -0.18 0.00 0.56 0.00 0.00 36.38 33.30 2cr4 s VAL 13 CO 0.03 0.60 1.17 1.55 -0.31 0.00 0.00 175.10 178.14 2cr4 h PRO 14 N 4.86 -0.14 -4.12 4.82 0.13 -1.95 -3.42 132.00 132.17 2cr4 h PRO 14 Ca -0.54 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.01 2cr4 h PRO 14 Cb 1.23 0.03 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 2cr4 h PRO 14 CO 0.59 0.29 -0.77 -0.51 -0.23 0.00 0.00 178.00 177.38 2cr4 s LEU 15 N -9.24 2.50 1.10 1.56 2.01 -1.26 -4.83 118.68 110.52 2cr4 s LEU 15 Ca -0.15 -1.29 -0.16 0.00 0.01 0.00 0.00 54.13 52.55 2cr4 s LEU 15 Cb 0.01 -1.08 0.24 0.00 0.01 0.00 0.00 46.19 45.38 2cr4 s LEU 15 CO 0.60 -0.29 1.10 -2.16 1.01 0.00 0.00 176.35 176.61 2cr4 s PRO 16 N 1.46 -0.42 0.00 1.29 0.04 -1.26 -4.96 135.00 131.15 2cr4 s PRO 16 Ca -0.01 0.23 0.26 0.00 0.04 0.00 0.00 61.00 61.52 2cr4 s PRO 16 Cb -0.18 -1.66 0.68 0.00 0.04 0.00 0.00 34.50 33.37 2cr4 s PRO 16 CO -0.10 -3.24 1.53 -1.71 0.04 0.00 0.00 177.00 173.53 2cr4 n ASN 17 N -4.48 0.40 -0.06 6.66 2.85 -1.26 -3.87 115.26 115.50 2cr4 n ASN 17 Ca 0.09 -0.10 -0.06 0.00 -0.11 0.00 0.00 54.58 54.40 2cr4 n ASN 17 Cb 0.58 0.08 0.13 0.00 1.24 0.00 0.00 39.78 41.82 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 h SER 18 N 0.02 0.69 -0.02 1.20 0.02 -1.93 -3.16 113.55 110.37 2cr4 h SER 18 Ca 0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2cr4 h SER 18 Cb 0.50 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2cr4 h SER 18 CO 0.00 0.88 -0.00 -0.37 -1.14 0.00 0.00 176.83 176.20 2cr4 h VAL 19 N 0.62 1.29 -2.33 2.27 -1.51 -1.66 -3.40 116.25 111.53 2cr4 h VAL 19 Ca 0.09 -0.86 -0.54 0.00 -1.23 0.00 0.00 66.70 64.16 2cr4 h VAL 19 Cb 0.66 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 2cr4 h VAL 19 CO 0.05 0.23 1.33 -0.36 -1.23 0.00 0.00 177.57 177.58 2cr4 s PHE 20 N -4.76 1.71 0.07 5.19 0.40 -1.20 -1.37 117.98 118.03 2cr4 s PHE 20 Ca -0.15 0.76 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2cr4 s PHE 20 Cb 0.03 -4.08 -0.04 0.00 0.51 0.00 0.00 43.02 39.44 2cr4 s PHE 20 CO 0.68 -2.66 0.14 0.54 0.70 0.00 0.00 175.22 174.62 2cr4 s VAL 21 N 8.10 4.94 -0.22 -0.44 0.11 -0.49 -4.95 120.40 127.44 2cr4 s VAL 21 Ca 0.76 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2cr4 s VAL 21 Cb -0.18 -3.40 0.22 0.00 -1.53 0.00 0.00 36.38 31.49 2cr4 s VAL 21 CO 0.28 0.13 1.25 -3.20 -3.33 0.00 0.00 175.10 170.22 2cr4 n ASN 22 N 0.35 3.15 -4.52 3.54 2.85 -1.26 -3.93 115.26 115.45 2cr4 n ASN 22 Ca -0.07 -2.49 -0.34 0.00 -0.11 0.00 0.00 54.58 51.58 2cr4 n ASN 22 Cb 0.51 -0.60 -0.12 0.00 1.24 0.00 0.00 39.78 40.81 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -1.11 4.03 -0.40 -0.44 -1.32 -1.26 -4.96 115.64 110.18 2cr4 s THR 23 Ca 0.18 -0.31 0.06 0.00 -1.21 0.00 0.00 61.69 60.41 2cr4 s THR 23 Cb 0.15 -2.77 0.59 0.00 -1.51 0.00 0.00 72.50 68.96 2cr4 s THR 23 CO 0.04 0.49 1.74 0.35 -2.21 0.00 0.00 174.62 175.02 2cr4 n THR 24 N 3.51 2.97 -4.39 5.08 -2.24 -1.26 -1.98 114.28 115.97 2cr4 n THR 24 Ca -0.17 -2.35 -0.19 0.00 -2.27 0.00 0.00 64.05 59.07 2cr4 n THR 24 Cb 0.52 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.32 1.51 -0.23 -0.78 0.41 -1.26 -4.73 118.70 110.30 2cr4 s GLU 25 Ca 0.52 -1.81 -0.05 0.00 -0.41 0.00 0.00 54.97 53.23 2cr4 s GLU 25 Cb 0.45 -0.69 -0.12 0.00 -1.78 0.00 0.00 34.13 31.99 2cr4 s GLU 25 CO 0.06 -0.17 -0.25 -1.13 -0.49 0.00 0.00 175.26 173.28 2cr4 n SER 26 N -0.56 1.98 -0.34 -0.19 3.41 -1.26 -4.19 113.62 112.48 2cr4 n SER 26 Ca -0.03 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 2cr4 n SER 26 Cb 0.66 -0.52 0.31 0.00 -0.26 0.00 0.00 64.21 64.40 2cr4 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cr4 h GLU 28 N 0.81 -1.01 -0.99 0.00 4.57 -2.01 -2.98 114.58 112.97 2cr4 h GLU 28 Ca 0.53 0.07 0.19 0.00 -1.18 0.00 0.00 59.36 58.97 2cr4 h GLU 28 Cb 0.76 0.23 -0.18 0.00 -0.16 0.00 0.00 28.75 29.40 2cr4 h GLU 28 CO -0.31 -0.67 -0.29 0.28 -1.18 0.00 0.00 179.01 176.84 2cr4 h VAL 29 N -1.28 0.01 -0.90 0.32 2.07 -1.63 1.26 116.25 116.10 2cr4 h VAL 29 Ca -0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.55 2cr4 h VAL 29 Cb 0.81 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 2cr4 h VAL 29 CO 0.18 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 178.27 2cr4 h GLU 30 N -0.00 0.72 -0.11 1.57 4.81 -1.45 -1.51 114.58 118.61 2cr4 h GLU 30 Ca 0.44 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 2cr4 h GLU 30 Cb 0.69 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2cr4 h GLU 30 CO -1.01 0.48 -0.25 -0.09 -0.73 0.00 0.00 179.01 177.40 2cr4 h ARG 31 N 0.74 0.36 0.02 1.92 9.65 0.16 -3.24 114.38 124.00 2cr4 h ARG 31 Ca 0.45 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2cr4 h ARG 31 Cb 0.66 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.22 2cr4 h ARG 31 CO -0.21 0.85 -0.32 -0.07 2.80 0.00 0.00 179.97 183.02 2cr4 h LEU 32 N -0.08 -0.94 -0.19 3.80 3.38 -0.07 -1.49 115.31 119.72 2cr4 h LEU 32 Ca -0.00 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2cr4 h LEU 32 Cb 0.85 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2cr4 h LEU 32 CO 0.05 -0.38 -0.16 -0.26 0.09 0.00 0.00 178.44 177.78 2cr4 h PHE 33 N -0.48 -0.49 0.00 1.13 -1.00 -1.39 1.16 116.94 115.87 2cr4 h PHE 33 Ca 0.06 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2cr4 h PHE 33 Cb 0.56 0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2cr4 h PHE 33 CO -0.33 -0.12 0.15 1.63 -1.61 0.00 0.00 178.31 178.03 2cr4 n LYS 34 N -3.52 0.10 -0.05 1.51 5.02 -1.15 -2.22 118.16 117.84 2cr4 n LYS 34 Ca -0.00 0.58 -0.02 0.00 -2.02 0.00 0.00 58.31 56.85 2cr4 n LYS 34 Cb 0.08 -1.98 -0.01 0.00 -0.02 0.00 0.00 35.03 33.10 2cr4 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cr4 h ALA 35 N 1.57 0.00 -1.00 7.82 0.00 0.22 -3.36 119.26 124.51 2cr4 h ALA 35 Ca 0.00 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 54.99 2cr4 h ALA 35 Cb 0.31 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2cr4 h ALA 35 CO 0.00 0.19 0.72 0.00 0.00 0.00 0.00 179.25 180.17 2cr4 h THR 36 N -0.88 0.50 -3.55 0.00 1.03 0.12 -3.41 112.91 106.72 2cr4 h THR 36 Ca 0.00 -0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 65.87 2cr4 h THR 36 Cb 0.19 0.50 0.07 0.00 -1.07 0.00 0.00 68.15 67.84 2cr4 h THR 36 CO 0.00 0.00 0.76 -0.94 -0.01 0.00 0.00 175.52 175.33 2cr4 s SER 37 N -5.46 6.58 0.20 0.00 1.04 -0.96 -4.93 113.70 110.18 2cr4 s SER 37 Ca -0.05 2.77 -0.03 0.00 0.48 0.00 0.00 55.95 59.12 2cr4 s SER 37 Cb 0.22 -2.64 0.16 0.00 0.10 0.00 0.00 66.02 63.86 2cr4 s SER 37 CO 0.79 -0.73 1.56 1.55 0.98 0.00 0.00 173.24 177.38 2cr4 h PRO 38 N 4.40 0.62 -0.09 4.02 0.13 -1.86 -2.86 132.00 136.37 2cr4 h PRO 38 Ca -0.47 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2cr4 h PRO 38 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2cr4 h PRO 38 CO 0.74 0.93 0.00 2.89 -0.23 0.00 0.00 178.00 182.33 2cr4 n ARG 39 N -4.02 1.70 -0.23 0.86 1.85 -1.26 -4.90 116.66 110.66 2cr4 n ARG 39 Ca -0.02 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.80 2cr4 n ARG 39 Cb 0.54 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cr4 n GLY 40 N 1.15 1.79 3.22 2.89 0.00 -1.08 -5.01 105.19 108.15 2cr4 n GLY 40 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.27 2.90 0.66 1.61 -1.05 -1.26 -4.58 118.70 116.72 2cr4 s GLU 41 Ca 0.00 -0.87 -0.15 0.00 -0.15 0.00 0.00 54.97 53.80 2cr4 s GLU 41 Cb 0.00 -2.24 -0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2cr4 s GLU 41 CO 0.00 0.21 1.11 -1.25 0.95 0.00 0.00 175.26 176.29 2cr4 s PRO 42 N 0.25 2.80 -0.02 -4.83 0.04 -1.26 -4.77 135.00 127.22 2cr4 s PRO 42 Ca -0.16 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 2cr4 s PRO 42 Cb -0.17 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2cr4 s PRO 42 CO 0.08 -1.25 0.45 -0.65 0.04 0.00 0.00 177.00 175.67 2cr4 s GLN 43 N -4.09 4.07 -0.03 4.56 -0.21 -1.26 -5.00 119.66 117.70 2cr4 s GLN 43 Ca 0.67 0.47 -0.38 0.00 0.02 0.00 0.00 55.36 56.14 2cr4 s GLN 43 Cb -0.21 -3.28 -0.17 0.00 1.00 0.00 0.00 33.01 30.36 2cr4 s GLN 43 CO 0.41 0.55 1.42 -3.47 -2.12 0.00 0.00 175.29 172.09 2cr4 n ASP 44 N 2.25 1.66 0.00 5.90 -0.08 -1.26 -0.94 116.55 124.09 2cr4 n ASP 44 Ca -0.12 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2cr4 n ASP 44 Cb 0.52 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.83 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr4 n GLY 45 N 2.87 1.59 3.48 0.27 0.00 -1.23 -4.58 105.19 107.59 2cr4 n GLY 45 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 1.37 -4.53 0.99 7.94 -0.11 -3.68 117.00 118.98 2cr4 n LEU 46 Ca 0.00 0.08 -0.24 0.00 -1.11 0.00 0.00 56.01 54.74 2cr4 n LEU 46 Cb 0.00 -1.20 -0.09 0.00 0.53 0.00 0.00 43.42 42.66 2cr4 n LEU 46 CO 0.00 -0.97 -0.43 -0.72 -1.11 0.00 0.00 177.39 174.16 2cr4 s TYR 47 N 9.28 2.44 0.20 1.96 1.13 -0.87 0.29 117.35 131.78 2cr4 s TYR 47 Ca 1.17 -0.29 -0.06 0.00 -1.41 0.00 0.00 57.07 56.49 2cr4 s TYR 47 Cb -0.87 -1.09 0.02 0.00 -1.10 0.00 0.00 41.96 38.93 2cr4 s TYR 47 CO 0.44 0.66 0.36 0.00 -2.51 0.00 0.00 175.55 174.50 2cr4 s ILE 49 N -2.57 0.11 0.34 0.00 1.01 -0.47 -1.70 121.20 117.92 2cr4 s ILE 49 Ca 0.10 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.32 2cr4 s ILE 49 Cb -0.02 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 2cr4 s ILE 49 CO 0.07 -0.42 0.48 0.00 0.00 0.00 0.00 174.94 175.07 2cr4 s ARG 50 N 2.03 3.12 0.30 2.79 1.70 -1.08 -1.40 118.95 126.41 2cr4 s ARG 50 Ca 0.04 -1.00 -0.16 0.00 -0.47 0.00 0.00 55.73 54.14 2cr4 s ARG 50 Cb -0.16 -2.81 -0.09 0.00 -0.57 0.00 0.00 34.95 31.31 2cr4 s ARG 50 CO -0.18 0.05 0.74 -0.80 -1.08 0.00 0.00 175.30 174.04 2cr4 s ASN 51 N -4.18 6.85 0.47 -2.89 0.01 -0.84 -2.09 114.94 112.28 2cr4 s ASN 51 Ca 0.45 1.33 0.05 0.00 -0.71 0.00 0.00 52.86 53.98 2cr4 s ASN 51 Cb -0.10 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 39.19 2cr4 s ASN 51 CO 0.31 -0.15 0.66 -0.55 -1.51 0.00 0.00 177.10 175.86 2cr4 s SER 52 N -2.11 5.53 0.66 -1.22 0.15 -1.25 -4.16 113.70 111.30 2cr4 s SER 52 Ca 0.52 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 57.19 2cr4 s SER 52 Cb -0.12 -0.85 1.13 0.00 -1.71 0.00 0.00 66.02 64.48 2cr4 s SER 52 CO 0.18 -0.90 1.64 0.77 1.20 0.00 0.00 173.24 176.13 2cr4 h SER 53 N 0.40 0.00 -3.28 5.45 4.64 -1.94 -3.38 113.55 115.43 2cr4 h SER 53 Ca -0.42 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.22 2cr4 h SER 53 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 2cr4 h SER 53 CO 0.49 0.00 -0.61 -0.89 -0.87 0.00 0.00 176.83 174.95 2cr4 s THR 54 N -4.07 4.38 0.41 2.95 2.01 -1.26 -5.00 115.64 115.06 2cr4 s THR 54 Ca -0.02 -0.22 0.09 0.00 0.31 0.00 0.00 61.69 61.85 2cr4 s THR 54 Cb 0.06 -2.85 0.29 0.00 0.01 0.00 0.00 72.50 70.02 2cr4 s THR 54 CO 0.19 0.60 2.01 0.07 -0.69 0.00 0.00 174.62 176.80 2cr4 h LYS 55 N 5.18 0.53 -4.03 4.92 5.09 -2.01 -3.34 116.57 122.92 2cr4 h LYS 55 Ca -0.51 -0.03 -0.77 0.00 0.09 0.00 0.00 60.65 59.43 2cr4 h LYS 55 Cb 1.19 -0.12 -0.25 0.00 0.10 0.00 0.00 32.23 33.16 2cr4 h LYS 55 CO 0.55 0.35 -0.09 -1.54 -2.09 0.00 0.00 179.45 176.63 2cr4 s SER 56 N -6.42 6.39 0.00 7.07 1.04 -1.26 -4.96 113.70 115.57 2cr4 s SER 56 Ca -0.08 -2.09 0.00 0.00 0.48 0.00 0.00 55.95 54.25 2cr4 s SER 56 Cb 0.19 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2cr4 s SER 56 CO 0.75 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2cr4 n GLY 57 N 4.81 3.92 3.15 7.32 0.00 -1.26 -5.04 105.19 118.09 2cr4 n GLY 57 Ca -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N -2.69 0.85 -0.15 1.61 -0.14 -1.26 -3.76 119.74 114.19 2cr4 s LYS 58 Ca 0.00 -1.37 -0.04 0.00 -1.36 0.00 0.00 55.97 53.19 2cr4 s LYS 58 Cb 0.00 0.10 0.06 0.00 -1.68 0.00 0.00 37.83 36.31 2cr4 s LYS 58 CO 0.00 -0.17 0.08 0.08 -0.76 0.00 0.00 175.35 174.58 2cr4 s VAL 59 N -3.90 -0.03 -0.20 3.17 1.01 -0.89 -0.58 120.40 118.98 2cr4 s VAL 59 Ca 0.17 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 2cr4 s VAL 59 Cb 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2cr4 s VAL 59 CO -0.02 -0.20 1.42 -0.22 0.00 0.00 0.00 175.10 176.08 2cr4 s LEU 60 N 2.12 4.04 -0.26 3.92 2.96 0.15 -2.62 118.68 128.98 2cr4 s LEU 60 Ca 0.02 1.61 -0.04 0.00 -0.22 0.00 0.00 54.13 55.50 2cr4 s LEU 60 Cb -0.15 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2cr4 s LEU 60 CO -0.08 -1.00 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.26 2cr4 s VAL 61 N 4.26 3.40 0.06 1.68 1.01 -0.69 0.82 120.40 130.95 2cr4 s VAL 61 Ca 0.62 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2cr4 s VAL 61 Cb -0.23 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2cr4 s VAL 61 CO 0.23 0.19 0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2cr4 s VAL 62 N 1.42 4.51 0.01 2.92 1.01 -1.21 -1.13 120.40 127.93 2cr4 s VAL 62 Ca 0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2cr4 s VAL 62 Cb -0.16 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 2cr4 s VAL 62 CO -0.01 0.19 0.46 0.86 0.00 0.00 0.00 175.10 176.60 2cr4 s TRP 63 N -1.32 3.73 -0.38 5.22 -0.11 0.14 -0.60 118.94 125.63 2cr4 s TRP 63 Ca 0.27 1.06 -0.07 0.00 1.22 0.00 0.00 56.10 58.58 2cr4 s TRP 63 Cb -0.12 -2.37 0.06 0.00 -1.50 0.00 0.00 33.47 29.54 2cr4 s TRP 63 CO 0.19 0.58 0.17 -0.51 -4.62 0.00 0.00 176.95 172.77 2cr4 s ASP 64 N -0.92 5.43 0.17 5.86 1.11 0.14 -3.58 116.67 124.88 2cr4 s ASP 64 Ca 0.25 -1.38 -0.00 0.00 0.18 0.00 0.00 52.55 51.60 2cr4 s ASP 64 Cb -0.17 -1.91 0.02 0.00 1.07 0.00 0.00 42.92 41.93 2cr4 s ASP 64 CO 0.15 -0.43 1.40 -0.08 1.18 0.00 0.00 175.17 177.38 2cr4 h GLU 65 N 8.27 0.32 -0.23 8.23 4.22 -1.92 1.99 114.58 135.46 2cr4 h GLU 65 Ca -0.22 -0.30 -0.15 0.00 0.08 0.00 0.00 59.36 58.77 2cr4 h GLU 65 Cb 1.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2cr4 h GLU 65 CO 0.67 0.98 -0.48 1.79 -2.18 0.00 0.00 179.01 179.79 2cr4 h THR 66 N 0.20 1.30 0.00 0.32 1.35 -1.92 -3.24 112.91 110.92 2cr4 h THR 66 Ca -0.04 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2cr4 h THR 66 Cb 1.42 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2cr4 h THR 66 CO 0.13 0.53 -1.89 -1.20 -0.25 0.00 0.00 175.52 172.85 2cr4 n SER 67 N -4.00 0.29 -2.56 5.36 7.64 -1.22 -5.01 113.62 114.13 2cr4 n SER 67 Ca -0.03 -0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 2cr4 n SER 67 Cb 0.57 1.89 0.06 0.00 -1.01 0.00 0.00 64.21 65.71 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 -2.17 -3.66 -3.71 6.43 2.85 0.67 -5.03 115.26 110.64 2cr4 n ASN 68 Ca -0.03 -0.38 -0.11 0.00 -0.11 0.00 0.00 54.58 53.95 2cr4 n ASN 68 Cb 0.53 -3.50 -0.06 0.00 1.24 0.00 0.00 39.78 37.98 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2cr4 s LYS 69 N -5.45 0.93 0.18 1.20 -2.85 -0.68 -4.95 119.74 108.13 2cr4 s LYS 69 Ca 0.22 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.54 2cr4 s LYS 69 Cb -0.10 0.40 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 2cr4 s LYS 69 CO 0.48 -0.33 0.42 0.14 0.10 0.00 0.00 175.35 176.16 2cr4 s VAL 70 N -3.15 5.14 0.39 1.79 -7.23 -1.26 0.26 120.40 116.34 2cr4 s VAL 70 Ca -0.01 -0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 2cr4 s VAL 70 Cb 0.01 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 2cr4 s VAL 70 CO -0.07 -0.08 0.13 -0.13 -0.31 0.00 0.00 175.10 174.64 2cr4 s ARG 71 N -2.97 2.18 -0.17 4.82 1.81 0.23 -4.95 118.95 119.91 2cr4 s ARG 71 Ca 0.41 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2cr4 s ARG 71 Cb -0.12 -1.96 0.04 0.00 -0.45 0.00 0.00 34.95 32.47 2cr4 s ARG 71 CO 0.26 -0.04 -0.08 0.54 -0.68 0.00 0.00 175.30 175.30 2cr4 s ASN 72 N -3.84 2.90 -0.46 0.23 2.20 -1.26 -3.33 114.94 111.38 2cr4 s ASN 72 Ca 0.39 -0.67 -0.00 0.00 -0.94 0.00 0.00 52.86 51.64 2cr4 s ASN 72 Cb 0.03 -1.03 0.12 0.00 -2.00 0.00 0.00 41.25 38.37 2cr4 s ASN 72 CO 0.21 -0.15 0.23 -0.31 -2.94 0.00 0.00 177.10 174.14 2cr4 s TYR 73 N 1.55 3.53 -0.05 1.54 1.51 0.24 -4.96 117.35 120.71 2cr4 s TYR 73 Ca 0.01 -2.76 -0.33 0.00 -1.01 0.00 0.00 57.07 52.98 2cr4 s TYR 73 Cb -0.15 -3.08 -0.11 0.00 -0.11 0.00 0.00 41.96 38.51 2cr4 s TYR 73 CO -0.08 -0.90 1.91 -2.13 -1.11 0.00 0.00 175.55 173.23 2cr4 n ARG 74 N 4.01 2.39 -2.98 -0.62 0.00 -1.26 0.32 116.66 118.51 2cr4 n ARG 74 Ca 0.03 0.88 -0.44 0.00 -0.00 0.00 0.00 57.85 58.31 2cr4 n ARG 74 Cb 0.39 -2.76 -0.03 0.00 0.00 0.00 0.00 32.46 30.07 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2cr4 s ILE 75 N 4.14 4.79 0.95 5.15 1.01 0.26 -4.41 121.20 133.07 2cr4 s ILE 75 Ca 0.91 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2cr4 s ILE 75 Cb -0.61 -4.70 0.16 0.00 0.01 0.00 0.00 42.46 37.31 2cr4 s ILE 75 CO 0.49 -1.41 1.12 -0.36 0.00 0.00 0.00 174.94 174.78 2cr4 s PHE 76 N 2.58 2.34 -0.37 3.97 0.40 -0.57 -4.09 117.98 122.24 2cr4 s PHE 76 Ca 0.27 0.90 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 2cr4 s PHE 76 Cb -0.09 -3.34 0.12 0.00 0.51 0.00 0.00 43.02 40.22 2cr4 s PHE 76 CO -0.05 -2.59 0.17 -2.00 0.70 0.00 0.00 175.22 171.45 2cr4 s GLU 77 N -5.15 0.99 -0.01 0.44 2.12 -1.26 -2.96 118.70 112.86 2cr4 s GLU 77 Ca 0.64 -1.55 0.06 0.00 0.36 0.00 0.00 54.97 54.49 2cr4 s GLU 77 Cb -0.16 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 2cr4 s GLU 77 CO 0.55 -1.08 -0.20 0.21 -0.54 0.00 0.00 175.26 174.20 2cr4 s LYS 78 N 0.97 1.63 -0.88 4.30 2.20 -1.19 -4.70 119.74 122.07 2cr4 s LYS 78 Ca 0.14 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2cr4 s LYS 78 Cb -0.21 -1.59 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 2cr4 s LYS 78 CO -0.11 0.43 0.00 -3.47 -0.36 0.00 0.00 175.35 171.85 2cr4 n ASP 79 N 2.53 -2.99 -2.31 1.43 2.03 -1.26 0.65 116.55 116.64 2cr4 n ASP 79 Ca -0.15 0.25 -0.16 0.00 0.52 0.00 0.00 54.79 55.25 2cr4 n ASP 79 Cb 0.53 -2.69 0.03 0.00 -0.72 0.00 0.00 41.12 38.28 2cr4 n ASP 79 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2cr4 n SER 80 N -1.16 -4.90 -3.65 1.67 2.88 -1.26 -5.00 113.62 102.20 2cr4 n SER 80 Ca -0.11 -0.24 -0.19 0.00 -1.33 0.00 0.00 58.87 57.00 2cr4 n SER 80 Cb 0.49 -3.71 -0.17 0.00 -0.75 0.00 0.00 64.21 60.07 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 -5.46 -0.00 0.08 -1.46 1.02 0.21 -4.51 119.74 109.62 2cr4 s LYS 81 Ca 0.25 0.38 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 2cr4 s LYS 81 Cb -0.11 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 2cr4 s LYS 81 CO 0.31 -0.38 1.82 -0.06 -0.92 0.00 0.00 175.35 176.12 2cr4 s PHE 82 N 2.22 1.99 0.04 3.18 0.08 -0.29 -3.16 117.98 122.05 2cr4 s PHE 82 Ca 0.04 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.06 2cr4 s PHE 82 Cb -0.13 -4.14 -0.02 0.00 -0.57 0.00 0.00 43.02 38.16 2cr4 s PHE 82 CO -0.05 -4.79 -0.06 1.52 -0.10 0.00 0.00 175.22 171.73 2cr4 s TYR 83 N 3.17 0.58 -0.11 0.36 -0.85 -1.16 -1.53 117.35 117.82 2cr4 s TYR 83 Ca 0.81 -0.56 0.05 0.00 -0.52 0.00 0.00 57.07 56.85 2cr4 s TYR 83 Cb -0.43 -0.36 -0.10 0.00 0.38 0.00 0.00 41.96 41.45 2cr4 s TYR 83 CO 0.36 -0.13 -0.03 1.28 -1.52 0.00 0.00 175.55 175.52 2cr4 n LEU 84 N 1.34 1.38 -0.11 -3.49 4.77 -1.26 -1.51 117.00 118.12 2cr4 n LEU 84 Ca -0.22 -0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 2cr4 n LEU 84 Cb 0.55 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2cr4 n LEU 84 CO 0.21 0.45 -0.91 -1.84 -1.33 0.00 0.00 177.39 173.98 2cr4 n GLU 85 N -2.59 0.56 0.00 3.23 0.28 -1.26 -4.89 120.64 115.97 2cr4 n GLU 85 Ca -0.18 0.41 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 2cr4 n GLU 85 Cb 0.77 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 32.04 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cr4 n GLY 86 N 1.38 -0.02 0.28 -1.84 0.00 -1.26 -4.92 105.19 98.81 2cr4 n GLY 86 Ca -0.38 -0.05 0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.04 -3.01 1.61 0.28 -1.26 -3.54 120.64 114.68 2cr4 n GLU 87 Ca 0.00 0.95 -0.43 0.00 -0.16 0.00 0.00 57.16 57.52 2cr4 n GLU 87 Cb 0.00 -1.78 -0.06 0.00 1.43 0.00 0.00 31.44 31.03 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -4.95 4.69 0.47 3.84 1.01 -1.26 -5.03 120.40 119.17 2cr4 s VAL 88 Ca -0.06 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2cr4 s VAL 88 Cb 0.23 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2cr4 s VAL 88 CO 0.57 -0.75 0.04 -0.76 0.00 0.00 0.00 175.10 174.21 2cr4 s LEU 89 N 3.16 2.24 -0.17 3.92 1.02 -1.23 -4.33 118.68 123.29 2cr4 s LEU 89 Ca 0.26 -1.64 -0.04 0.00 0.02 0.00 0.00 54.13 52.73 2cr4 s LEU 89 Cb -0.14 -0.55 0.08 0.00 0.02 0.00 0.00 46.19 45.61 2cr4 s LEU 89 CO 0.20 -0.85 0.24 -0.36 0.02 0.00 0.00 176.35 175.60 2cr4 s PHE 90 N -2.97 -0.35 0.38 0.29 0.08 -0.58 -4.94 117.98 109.89 2cr4 s PHE 90 Ca 0.14 0.54 0.31 0.00 0.12 0.00 0.00 56.93 58.04 2cr4 s PHE 90 Cb 0.03 -0.22 1.24 0.00 -0.57 0.00 0.00 43.02 43.49 2cr4 s PHE 90 CO 0.08 -0.49 1.21 1.55 -0.10 0.00 0.00 175.22 177.46 2cr4 n VAL 91 N 5.33 -0.11 -3.86 -0.44 3.14 -1.26 -1.13 118.33 120.00 2cr4 n VAL 91 Ca -0.05 1.29 -0.09 0.00 -2.96 0.00 0.00 64.34 62.52 2cr4 n VAL 91 Cb 0.50 -2.13 -0.06 0.00 -1.06 0.00 0.00 33.84 31.08 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 -4.15 0.01 0.25 6.55 1.04 -1.26 -4.55 113.70 111.59 2cr4 s SER 92 Ca -0.05 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 55.65 2cr4 s SER 92 Cb 0.23 0.42 0.34 0.00 0.10 0.00 0.00 66.02 67.10 2cr4 s SER 92 CO 0.66 -0.84 1.88 0.58 0.98 0.00 0.00 173.24 176.50 2cr4 h VAL 93 N 2.57 1.10 -0.12 5.02 2.07 -1.93 -3.01 116.25 121.96 2cr4 h VAL 93 Ca -0.33 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.84 2cr4 h VAL 93 Cb 1.22 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2cr4 h VAL 93 CO 0.50 0.20 -0.46 1.23 0.02 0.00 0.00 177.57 179.07 2cr4 h GLY 94 N 1.11 -1.17 -0.16 2.17 0.00 -1.94 -0.88 103.07 102.19 2cr4 h GLY 94 Ca 0.39 0.68 0.08 0.00 0.00 0.00 0.00 47.33 48.49 2cr4 h GLY 94 CO -0.15 -0.26 -0.30 0.23 0.00 0.00 0.00 176.54 176.06 2cr4 h SER 95 N -0.48 -1.01 -0.50 0.19 0.87 -1.91 -1.16 113.55 109.55 2cr4 h SER 95 Ca 0.03 0.19 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 2cr4 h SER 95 Cb 0.57 0.49 -0.10 0.00 -0.44 0.00 0.00 62.40 62.91 2cr4 h SER 95 CO -0.37 -0.30 -0.24 -0.03 -0.53 0.00 0.00 176.83 175.36 2cr4 h MET 96 N -0.22 -0.12 -0.40 2.24 4.05 -1.33 0.54 114.93 119.69 2cr4 h MET 96 Ca 0.19 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 2cr4 h MET 96 Cb 0.52 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 2cr4 h MET 96 CO -0.54 -0.08 -0.02 0.28 0.23 0.00 0.00 176.91 176.78 2cr4 h VAL 97 N -0.12 0.68 -0.51 -5.77 2.07 -0.00 0.22 116.25 112.81 2cr4 h VAL 97 Ca 0.23 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2cr4 h VAL 97 Cb 0.48 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2cr4 h VAL 97 CO -0.58 0.02 0.31 -0.33 0.02 0.00 0.00 177.57 177.01 2cr4 h GLU 98 N 0.09 0.69 -0.21 1.57 5.08 -0.28 -0.91 114.58 120.60 2cr4 h GLU 98 Ca 0.20 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2cr4 h GLU 98 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2cr4 h GLU 98 CO -0.35 0.48 -0.08 1.25 -1.00 0.00 0.00 179.01 179.32 2cr4 h HIS 99 N 0.70 0.48 -0.50 4.33 -0.00 0.62 -3.11 115.15 117.67 2cr4 h HIS 99 Ca 0.19 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2cr4 h HIS 99 Cb -0.03 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 2cr4 h HIS 99 CO 0.00 0.69 0.07 1.88 -0.00 0.00 0.00 177.93 180.57 2cr4 h TYR 100 N 0.14 0.83 -1.09 5.26 0.05 -0.61 -1.91 116.97 119.64 2cr4 h TYR 100 Ca 0.05 -0.09 0.32 0.00 0.05 0.00 0.00 58.73 59.05 2cr4 h TYR 100 Cb 0.55 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2cr4 h TYR 100 CO 0.06 0.73 1.19 0.45 -1.05 0.00 0.00 178.16 179.54 2cr4 h HIS 101 N 0.76 0.00 0.00 4.88 3.86 -1.10 0.58 115.15 124.12 2cr4 h HIS 101 Ca 0.16 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2cr4 h HIS 101 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 2cr4 h HIS 101 CO 0.02 0.00 -1.22 0.25 0.86 0.00 0.00 177.93 177.84 2cr4 n THR 102 N -3.35 0.08 -3.85 2.45 -2.24 -1.02 -4.84 114.28 101.52 2cr4 n THR 102 Ca 0.24 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 2cr4 n THR 102 Cb 1.52 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.64 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.24 3.50 0.79 4.78 4.02 0.20 -5.09 115.29 121.25 2cr4 s HIS 103 Ca -0.02 -2.30 -0.17 0.00 1.02 0.00 0.00 55.06 53.60 2cr4 s HIS 103 Cb 0.02 -2.82 -0.12 0.00 -1.02 0.00 0.00 32.58 28.64 2cr4 s HIS 103 CO 0.17 -0.91 -0.29 0.28 1.02 0.00 0.00 174.74 175.01 2cr4 n VAL 104 N 4.57 0.27 -2.27 -0.90 0.31 -1.24 -4.26 118.33 114.80 2cr4 n VAL 104 Ca -0.05 -0.46 -0.32 0.00 -0.01 0.00 0.00 64.34 63.50 2cr4 n VAL 104 Cb 0.42 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cr4 s LEU 105 N 5.14 3.52 0.69 7.52 1.43 -1.01 -5.00 118.68 130.98 2cr4 s LEU 105 Ca 0.51 1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 54.96 2cr4 s LEU 105 Cb -0.32 -4.46 0.01 0.00 0.03 0.00 0.00 46.19 41.46 2cr4 s LEU 105 CO 0.72 -0.66 1.11 -2.16 0.23 0.00 0.00 176.35 175.59 2cr4 s PRO 106 N -4.39 2.65 -0.51 1.29 0.04 -1.26 -3.69 135.00 129.13 2cr4 s PRO 106 Ca 0.57 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2cr4 s PRO 106 Cb -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2cr4 s PRO 106 CO 0.38 -1.36 0.00 0.43 0.04 0.00 0.00 177.00 176.49 2cr4 n SER 107 N -2.71 -2.94 -1.91 6.66 7.64 -1.26 -4.99 113.62 114.11 2cr4 n SER 107 Ca 0.10 0.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 2cr4 n SER 107 Cb 0.52 -1.61 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 -1.67 0.00 1.43 -0.00 -1.24 -5.09 115.22 105.22 2cr4 n HIS 108 Ca -0.06 -0.93 0.00 0.00 -0.00 0.00 0.00 57.72 56.73 2cr4 n HIS 108 Cb 0.36 0.46 0.00 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 -0.27 0.00 -2.76 1.57 10.64 -1.26 -4.91 117.38 120.39 2cr4 n GLN 109 Ca -0.04 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.90 2cr4 n GLN 109 Cb 0.30 -0.44 -0.01 0.00 -0.86 0.00 0.00 30.24 29.23 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2cr4 n SER 110 N -2.49 3.52 -3.77 2.61 2.88 -1.26 -4.95 113.62 110.17 2cr4 n SER 110 Ca 0.00 -3.44 -0.30 0.00 -1.33 0.00 0.00 58.87 53.81 2cr4 n SER 110 Cb 0.26 -0.53 -0.14 0.00 -0.75 0.00 0.00 64.21 63.05 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2cr4 s LEU 111 N -3.29 3.01 0.00 2.46 2.96 -1.26 -4.88 118.68 117.68 2cr4 s LEU 111 Ca 0.44 -2.51 0.04 0.00 -0.22 0.00 0.00 54.13 51.88 2cr4 s LEU 111 Cb 0.36 -1.14 0.04 0.00 0.50 0.00 0.00 46.19 45.95 2cr4 s LEU 111 CO -0.12 -0.29 0.32 0.18 -1.32 0.00 0.00 176.35 175.12 2cr4 n LEU 112 N 3.72 0.00 -4.24 -0.68 4.77 -1.26 -2.39 117.00 116.92 2cr4 n LEU 112 Ca 0.06 -1.56 -0.39 0.00 -0.03 0.00 0.00 56.01 54.09 2cr4 n LEU 112 Cb 0.36 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2cr4 n LEU 112 CO 0.24 -0.51 -0.13 -0.76 -1.33 0.00 0.00 177.39 174.89 2cr4 s LEU 113 N 0.00 5.07 -0.11 2.23 1.43 -1.26 -4.41 118.68 121.63 2cr4 s LEU 113 Ca 0.24 -1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 51.68 2cr4 s LEU 113 Cb -0.02 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2cr4 s LEU 113 CO 0.15 -0.52 -0.19 0.54 0.23 0.00 0.00 176.35 176.57 2cr4 n ARG 114 N 4.84 0.34 -4.41 1.70 1.74 -1.24 -4.63 116.66 114.99 2cr4 n ARG 114 Ca -0.09 0.25 -0.19 0.00 -0.77 0.00 0.00 57.85 57.05 2cr4 n ARG 114 Cb 0.43 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.11 0.91 1.21 -1.55 3.76 -1.25 -5.03 115.29 111.22 2cr4 s HIS 115 Ca -0.16 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.37 2cr4 s HIS 115 Cb 0.02 -0.58 0.29 0.00 1.11 0.00 0.00 32.58 33.42 2cr4 s HIS 115 CO 0.23 -0.01 1.11 -1.25 -0.85 0.00 0.00 174.74 173.97 2cr4 s PRO 116 N -0.30 -1.29 0.32 8.40 0.04 -1.26 -2.05 135.00 138.86 2cr4 s PRO 116 Ca 0.04 -0.09 -0.16 0.00 0.04 0.00 0.00 61.00 60.83 2cr4 s PRO 116 Cb -0.04 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 2cr4 s PRO 116 CO -0.00 -3.75 0.75 -0.47 0.04 0.00 0.00 177.00 173.56 2cr4 s TYR 117 N -3.01 3.39 0.00 0.56 5.04 0.52 -4.16 117.35 119.69 2cr4 s TYR 117 Ca 0.71 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2cr4 s TYR 117 Cb -0.09 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.66 2cr4 s TYR 117 CO 0.56 0.10 0.00 0.41 -1.34 0.00 0.00 175.55 175.28 2cr4 n GLY 118 N -0.29 1.05 3.13 8.97 0.00 -1.26 -3.22 105.19 113.58 2cr4 n GLY 118 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 -3.79 1.61 9.36 -1.26 -5.04 117.16 116.00 2cr4 n TYR 119 Ca 0.00 0.01 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 2cr4 n TYR 119 Cb 0.00 -1.45 -0.14 0.00 -0.63 0.00 0.00 39.34 37.12 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 -2.14 -0.03 0.14 2.97 -1.32 -1.26 -4.98 115.64 109.02 2cr4 s THR 120 Ca 0.46 0.10 0.01 0.00 -1.21 0.00 0.00 61.69 61.05 2cr4 s THR 120 Cb -0.08 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2cr4 s THR 120 CO 0.49 0.04 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.49 2cr4 s SER 121 N 0.62 1.01 0.15 8.08 0.01 -1.26 -5.14 113.70 117.17 2cr4 s SER 121 Ca -0.05 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2cr4 s SER 121 Cb -0.06 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2cr4 s SER 121 CO -0.03 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2cr4 n GLY 122 N -0.14 0.67 3.68 3.44 0.00 -1.26 -5.02 105.19 106.57 2cr4 n GLY 122 Ca -0.09 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2cr4 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr4 s PRO 123 N 0.24 4.25 -0.23 1.61 0.04 -1.26 -4.92 135.00 134.73 2cr4 s PRO 123 Ca 0.00 2.02 -0.36 0.00 0.04 0.00 0.00 61.00 62.70 2cr4 s PRO 123 Cb 0.00 -3.68 -0.12 0.00 0.04 0.00 0.00 34.50 30.74 2cr4 s PRO 123 CO 0.00 -0.66 1.97 -1.13 0.04 0.00 0.00 177.00 177.22 2cr4 n SER 124 N 5.89 2.76 0.06 6.66 3.41 -1.26 -4.87 113.62 126.27 2cr4 n SER 124 Ca 0.14 0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2cr4 n SER 124 Cb 0.43 -1.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.01 2cr4 n SER 124 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cr4 h SER 125 N 10.07 -0.16 -0.01 4.04 0.87 -2.06 -3.57 113.55 122.73 2cr4 h SER 125 Ca -0.41 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2cr4 h SER 125 Cb 1.30 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2cr4 h SER 125 CO 0.98 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 178.18